# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T07:18:30+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Organic & biomolecular chemistry') AND volume = 13 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
"7154021","6.0469","0.0002","9.1864","0.0003","9.4011","0.0003","110.41","0.002","96.98","0.002","92.353","0.002","483.85","0.03","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H12 F N O -","- C11 H12 F N O -","- C22 H24 F2 N2 O2 -","2","1","","Cogswell, Thomas J.; Donald, Craig S.; Long, De-Liang; Marquez, Rodolfo","Short and efficient synthesis of fluorinated δ-lactams.","Organic & biomolecular chemistry","2015","13","3","717","728","10.1039/c4ob01547a","","","0.71073","MoKα","","0.0396","0.0349","","","0.0883","0.0921","","","","","","1.086","","","","has coordinates","180326","2020-10-21","18:00:00",""
"7154133","10.084","0.002","10.408","0.002","26.571","0.006","90","","90","","90","","2788.7","1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H36 Cl N O -","- C32 H36 Cl N O -","- C128 H144 Cl4 N4 O4 -","4","1","","Liu, Yilin; Feng, Xiangqing; Du, Haifeng","Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.","Organic & biomolecular chemistry","2015","13","1","125","132","10.1039/c4ob01087f","","","0.71073","MoKα","","0.0562","0.0531","","","0.1128","0.1149","","","","","","1.138","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154134","9.779","0.003","10.66","0.004","26.314","0.008","90","","90","","90","","2743.1","1.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","4ge","","- C30 H40 Cl N O -","- C30 H40 Cl N O -","- C120 H160 Cl4 N4 O4 -","4","1","","Liu, Yilin; Feng, Xiangqing; Du, Haifeng","Asymmetric synthesis of axially chiral anilides by Pd-catalyzed allylic substitutions with P/olefin ligands.","Organic & biomolecular chemistry","2015","13","1","125","132","10.1039/c4ob01087f","","","0.71073","MoKα","","0.0445","0.0424","","","0.098","0.0991","","","","","","1.126","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154141","10.4383","0.0004","16.5706","0.0007","18.8976","0.0009","86.399","0.004","86.024","0.004","73.657","0.004","3125.9","0.2","123","2","123","2","","","","","","","","7","P -1","-P 1","2","","","","- C29 H30 F6 I N3 O3.5 P -","- C29 H30 F6 I N3 O3.5 P -","- C116 H120 F24 I4 N12 O14 P4 -","4","2","","Brazier, John B.; Gibbs, Timothy J. K.; Rowley, Julian H.; Samulis, Leopold; Yau, Sze Chak; Kennedy, Alan R.; Platts, James A.; Tomkinson, Nicholas C. O.","Improving catalyst activity in secondary amine catalysed transformations.","Organic & biomolecular chemistry","2015","13","1","133","141","10.1039/c4ob01916d","","","1.5418","CuKα","","0.0735","0.0564","","","0.1354","0.1501","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154142","12.174","0.002","21.206","0.004","14.57","0.003","90","","92.65","0.03","90","","3757.4","1.2","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.25 H32.5 Cl0.5 F6 O6 -","- C43.25 H32.5 Cl0.5 F6 O6 -","- C173 H130 Cl2 F24 O24 -","4","1","","Chen, Rongshun; Xu, Silong; Fan, Xia; Li, Hanyuan; Tang, Yuhai; He, Zhengjie","Construction of dispirocyclohexanes via amine-catalyzed [2 + 2 + 2] annulations of Morita-Baylis-Hillman acetates with exocyclic alkenes.","Organic & biomolecular chemistry","2015","13","2","398","408","10.1039/c4ob01927j","","","0.71073","MoKα","","0.1068","0.0613","","","0.1365","0.159","","","","","","0.981","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154143","10.53","0.002","13.602","0.003","13.65","0.003","65.69","0.03","80.28","0.03","81.84","0.03","1750.4","0.8","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H40 N2 O10 -","- C37 H40 N2 O10 -","- C74 H80 N4 O20 -","2","1","","Chen, Rongshun; Xu, Silong; Fan, Xia; Li, Hanyuan; Tang, Yuhai; He, Zhengjie","Construction of dispirocyclohexanes via amine-catalyzed [2 + 2 + 2] annulations of Morita-Baylis-Hillman acetates with exocyclic alkenes.","Organic & biomolecular chemistry","2015","13","2","398","408","10.1039/c4ob01927j","","","0.71073","MoKα","","0.1203","0.0494","","","0.0929","0.1116","","","","","","1.006","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154147","9.7902","0.0006","11.9074","0.0007","13.2668","0.0007","77.203","0.004","73.176","0.004","71.42","0.004","1388.92","0.14","298","2","298","2","","","","","","","","7","P -1","-P 1","2","","","","- C23 H34 Br Cl2 N O6 S -","- C23 H34 Br Cl2 N O6 S -","- C46 H68 Br2 Cl4 N2 O12 S2 -","2","1","","Fuentes de Arriba, Angel L.; Herrero, Angel Gómez; Rubio, Omayra H.; Monleón, Laura M; Simón Rubio, Luis; Alcázar, Victoria; Sanz, Francisca; Morán, Joaquín R","Chiral recognition with a benzofuran receptor that mimics an oxyanion hole.","Organic & biomolecular chemistry","2015","13","2","493","501","10.1039/c4ob01954g","","","1.54178","CuKα","","0.0852","0.0743","","","0.2204","0.2331","","","","","","1.056","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154148","8.3521","0.0003","14.3086","0.0006","23.7793","0.0007","90","","97.573","0.002","90","","2817","0.18","298","2","298","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C28 H33 Br N3 O6 S -","- C28 H33 Br N3 O6 S -","- C112 H132 Br4 N12 O24 S4 -","4","2","","Fuentes de Arriba, Angel L.; Herrero, Angel Gómez; Rubio, Omayra H.; Monleón, Laura M; Simón Rubio, Luis; Alcázar, Victoria; Sanz, Francisca; Morán, Joaquín R","Chiral recognition with a benzofuran receptor that mimics an oxyanion hole.","Organic & biomolecular chemistry","2015","13","2","493","501","10.1039/c4ob01954g","","","1.54178","CuKα","","0.0624","0.0485","","","0.1467","0.1526","","","","","","1.178","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154150","24.9085","0.0009","7.8916","0.0003","16.9244","0.0007","90","","98.392","0.002","90","","3291.2","0.2","100","2","100","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","LCLT517B","","","- C27 H56 O6 Si3 -","- C27 H56 O6 Si3 -","- C108 H224 O24 Si12 -","4","1","","Tizón, Lorena; Maneiro, María; Peón, Antonio; Otero, José M; Lence, Emilio; Poza, Sergio; van Raaij, Mark J.; Thompson, Paul; Hawkins, Alastair R.; González-Bello, Concepción","Irreversible covalent modification of type I dehydroquinase with a stable Schiff base.","Organic & biomolecular chemistry","2015","13","3","706","716","10.1039/c4ob01782j","","x-ray","0.71073","MoKα","","0.0704","0.0483","","","0.0857","0.0958","","","","","","1.041","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154158","6.5036","0.0006","12.9729","0.0011","17.9702","0.0016","90","","90","","90","","1516.2","0.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl2 N5 -","- C15 H11 Cl2 N5 -","- C60 H44 Cl8 N20 -","4","1","","Dai, Zhi-Cheng; Chen, Yong-Fei; Zhang, Mao; Li, Sheng-Kun; Yang, Ting-Ting; Shen, Li; Wang, Jian-Xin; Qian, Shao-Song; Zhu, Hai-Liang; Ye, Yong-Hao","Synthesis and antifungal activity of 1,2,3-triazole phenylhydrazone derivatives.","Organic & biomolecular chemistry","2015","13","2","477","486","10.1039/c4ob01758g","","","0.71073","MoKα","","0.0424","0.034","","","0.0811","0.0847","","","","","","0.983","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154161","8.921","0.004","10.42","0.02","15.804","0.008","81.48","0.09","73.79","0.04","87.26","0.09","1395","3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H17 Cl6 N7 -","- C25 H17 Cl6 N7 -","- C50 H34 Cl12 N14 -","2","1","","Hung, Tran Quang; Hancker, Sören; Villinger, Alexander; Lochbrunner, Stefan; Dang, Tuan Thanh; Friedrich, Aleksej; Breitsprecher, Wolfgang; Langer, Peter","Novel synthesis of 5-methyl-5,10-dihydroindolo[3,2-b]indoles by Pd-catalyzed C-C and two-fold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","2","583","591","10.1039/c4ob01723d","","","0.71073","MOKa","","0.2181","0.0475","","","0.1125","0.1555","","","","","","0.819","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154162","7.1928","0.0003","13.3215","0.0006","32.7007","0.0016","90","","90","","90","","3133.3","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","Z. Fan","","- C39 H26 Cl2 N2 O -","- C39 H26 Cl2 N2 O -","- C156 H104 Cl8 N8 O4 -","4","1","","Li, Wei; Fan, Zhoulong; Geng, Kaijun; Xu, Youjun; Zhang, Ao","Late-stage diversification of biologically active pyridazinones via a direct C-H functionalization strategy.","Organic & biomolecular chemistry","2015","13","2","539","548","10.1039/c4ob02061h","","","0.71073","MoKα","","0.0596","0.0418","","","0.1051","0.1151","","","","","","1.023","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154163","9.9757","0.0003","5.76438","0.00017","22.7227","0.0007","90","","91.835","0.003","90","","1305.97","0.07","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 -","- C16 H14 N2 -","- C64 H56 N8 -","4","1","","Wang, Ying-chun; Xie, Yu-yang; Tan, Xian-chun; Wang, Heng-shan; Pan, Ying-ming","Sc(OTf)3-mediated 1,3-dipolar cycloaddition-ring cleavage-rearrangement: a highly stereoselective access to Z-β-enaminonitriles.","Organic & biomolecular chemistry","2015","13","2","513","519","10.1039/c4ob01801j","","","0.7107","MoKα","","0.0623","0.0484","","","0.1136","0.1209","","","","","","1.131","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154164","5.8434","0.0017","10.203","0.003","22.194","0.006","90","","94.84","0.005","90","","1318.5","0.7","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 F N2 -","- C16 H13 F N2 -","- C64 H52 F4 N8 -","4","1","","Wang, Ying-chun; Xie, Yu-yang; Tan, Xian-chun; Wang, Heng-shan; Pan, Ying-ming","Sc(OTf)3-mediated 1,3-dipolar cycloaddition-ring cleavage-rearrangement: a highly stereoselective access to Z-β-enaminonitriles.","Organic & biomolecular chemistry","2015","13","2","513","519","10.1039/c4ob01801j","","","0.71073","MoKα","","0.0514","0.0393","","","0.1023","0.1112","","","","","","1.063","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154165","18.378","0.003","8.8145","0.0003","14.806","0.002","90","","130.63","0.03","90","","1820.3","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","2,3-Dichloro-5-methyl-1H-inden-1-one","","- C20 H12 Cl4 O2 -","- C20 H12 Cl4 O2 -","- C80 H48 Cl16 O8 -","4","0.5","","Raveendra Babu, Kaki; Khan, Faiz Ahmed","A domino reaction of tetrahalo-7,7-dimethoxybicyclo[2.2.1]heptenyl alcohols leading to indenones and a de novo synthesis of ninhydrin derivatives.","Organic & biomolecular chemistry","2015","13","1","299","308","10.1039/c4ob01977f","","","1.54184","CuKα","","0.0559","0.0465","","","0.1308","0.1428","","","","","","1.036","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154166","11.546","0.0002","12.36","0.0001","12.765","0.0002","101.747","0.001","113.392","0.002","95.129","0.001","1607.29","0.05","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H26 B F10 P -","- C35 H26 B F10 P -","- C70 H52 B2 F20 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0448","0.0401","","","0.1025","0.1067","","","","","","1.026","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154167","23.2576","0.0005","18.1844","0.0005","16.9234","0.0005","90","","111.378","0.002","90","","6664.9","0.3","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37.5 H23 B Cl F10 P -","- C37.5 H23 B Cl F10 P -","- C300 H184 B8 Cl8 F80 P8 -","8","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0563","0.0515","","","0.1358","0.1402","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154168","22.3123","0.0003","15.8067","0.0002","23.2517","0.0004","90","","106.554","0.001","90","","7860.6","0.2","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H38 B F10 P -","- C41 H38 B F10 P -","- C328 H304 B8 F80 P8 -","8","2","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.117","0.0734","","","0.1616","0.1822","","","","","","1.037","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154169","21.8974","0.0005","20.212","0.0005","20.4155","0.0007","90","","108.587","0.001","90","","8564.4","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C43 H34 B F10 P -","- C43 H34 B F10 P -","- C344 H272 B8 F80 P8 -","8","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0565","0.045","","","0.1235","0.1309","","","","","","1.082","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154170","10.1386","0.0002","10.9523","0.0002","16.007","0.0004","94.704","0.001","90.06","0.001","104.481","0.002","1714.74","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C38 H30 B F10 P -","- C38 H30 B F10 P -","- C76 H60 B2 F20 P2 -","2","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.0557","0.0499","","","0.1236","0.1291","","","","","","1.049","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154171","12.0744","0.0003","28.1047","0.0006","11.3117","0.0002","90","","99.395","0.001","90","","3787.11","0.14","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H26 B F10 P -","- C40 H26 B F10 P -","- C160 H104 B4 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","0.71073","MoKα","","0.091","0.0739","","","0.1972","0.2118","","","","","","1.063","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154172","20.771","0.0009","10.2846","0.0005","18.6572","0.0009","90","","120.235","0.004","90","","3443.4","0.3","223","2","223","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C36 H28 B Cl2 F10 P -","- C36 H28 B Cl2 F10 P -","- C144 H112 B4 Cl8 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0678","0.0546","","","0.1256","0.1374","","","","","","1.052","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154173","16.2406","0.0005","10.2753","0.0003","21.4263","0.0008","90","","102.915","0.002","90","","3485.1","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C38 H24 B Cl2 F10 P -","- C38 H24 B Cl2 F10 P -","- C152 H96 B4 Cl8 F40 P4 -","4","1","","Chen, Guo-Qiang; Kehr, Gerald; Daniliuc, Constantin G.; Erker, Gerhard","1,1-Alkenylboration of diarylphosphino-enynes: convenient synthetic entry to vicinal P/B Lewis pairs at extended conjugated π-frameworks.","Organic & biomolecular chemistry","2015","13","3","764","769","10.1039/c4ob02134g","","","1.54178","CuKα","","0.0741","0.0504","","","0.1215","0.137","","","","","","1.037","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154174","8.6089","0.0017","8.8898","0.0018","15.632","0.003","98.35","0.03","96.13","0.03","104.16","0.03","1135","0.4","173","2","173","2","","","","","","","","7","P -1","-P 1","2","","","","- C5 H4.5 Cl0.25 F0.75 N0.5 O1.25 S0.5 -","- C20 H18 Cl F3 N2 O5 S2 -","- C40 H36 Cl2 F6 N4 O10 S4 -","2","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0794","","","0.2084","0.2177","","","","","","1.076","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154175","13.927","0.003","10.771","0.002","24.361","0.005","90","","93.49","0.03","90","","3647.6","1.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C18 H15 F6 N2 O P -","- C18 H15 F6 N2 O P -","- C144 H120 F48 N16 O8 P8 -","8","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0491","","","0.1107","0.1165","","","","","","1.083","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154176","15.338","0.003","10.04","0.002","14.189","0.003","90","","94.34","0.03","90","","2178.7","0.8","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 F6 N2 O2 P S -","- C19 H19 F6 N2 O2 P S -","- C76 H76 F24 N8 O8 P4 S4 -","4","1","","Wang, Yong; Li, Ming; Wen, Lirong; Jing, Peng; Su, Xiang; Chen, Chao","Exploiting the narrow gap of rearrangement between the substituents in the vicinal disubstitution reactions of diaryliodonium salts with pyridine N-sulfonamidates.","Organic & biomolecular chemistry","2015","13","3","751","763","10.1039/c4ob01744g","","","0.71073","MoKα","","","0.0776","","","0.2007","0.2033","","","","","","1.172","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154177","10.516","0.003","16.68","0.004","27.091","0.006","90","","90","","90","","4752","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C31 H23 N O4 -","- C31 H23 N O4 -","- C248 H184 N8 O32 -","8","1","","Liu, Xiong-Li; Pan, Bo-Wen; Zhang, Wen-Hui; Yang, Chao; Yang, Jun; Shi, Yang; Feng, Ting-Ting; Zhou, Ying; Yuan, Wei-Cheng","A highly efficient and eco-friendly method for the synthesis of 1,3-indandione ring-fused 3-oxindoles bearing two contiguous quaternary stereocenters via an aldol reaction in aqueous media.","Organic & biomolecular chemistry","2015","13","2","601","611","10.1039/c4ob02103g","","","0.71073","MoKα","","0.0753","0.0513","","","0.1302","0.147","","","","","","1.048","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154178","10.736","0.0003","15.9895","0.0003","11.2155","0.0003","90","","107.652","0.001","90","","1834.64","0.08","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F2 N2 O2 S -","- C16 H24 F2 N2 O2 S -","- C64 H96 F8 N8 O8 S4 -","4","2","","Wang, Chao; Wu, Xinjun; Zhou, Li; Sun, Jian","L-Valine derived chiral N-sulfinamides as effective organocatalysts for the asymmetric hydrosilylation of N-alkyl and N-aryl protected ketimines.","Organic & biomolecular chemistry","2015","13","2","577","582","10.1039/c4ob01257g","","","0.71073","MoKα","","0.0307","0.0291","","","0.0825","0.084","","","","","","1","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154179","9.3912","0.0005","10.6576","0.0004","18.9928","0.0008","90","","94.82","0.002","90","","1894.22","0.15","153","2","153","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C16 H24 F2 N2 O2 S -","- C16 H24 F2 N2 O2 S -","- C64 H96 F8 N8 O8 S4 -","4","2","","Wang, Chao; Wu, Xinjun; Zhou, Li; Sun, Jian","L-Valine derived chiral N-sulfinamides as effective organocatalysts for the asymmetric hydrosilylation of N-alkyl and N-aryl protected ketimines.","Organic & biomolecular chemistry","2015","13","2","577","582","10.1039/c4ob01257g","","","0.71073","MoKα","","0.0326","0.0304","","","0.0832","0.0854","","","","","","0.998","","","","has coordinates,has disorder","180327","2020-10-21","18:00:00",""
"7154180","5.6153","0.0001","14.7482","0.0003","16.9257","0.0004","90","","90","","90","","1401.71","0.05","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(S,S)-(-)-4,5-Dihydroxy-3-[(phenylhydrazyl)methyl]cyclopent-2-enone acetonide","","- C15 H16 N2 O3 -","- C15 H16 N2 O3 -","- C60 H64 N8 O12 -","4","1","","Łukasik, Beata; Mikołajczyk, Marian; Bujacz, Grzegorz; Żurawiński, Remigiusz","Synthesis and the absolute configuration of both enantiomers of 4,5-dihydroxy-3-(formyl)cyclopent-2-enone acetonide as a new chiral building block for prostanoid synthesis.","Organic & biomolecular chemistry","2015","13","3","807","816","10.1039/c4ob01535e","","","1.5418","CuKα","","0.0615","0.0566","","","0.1588","0.1745","","","","","","1.13","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154181","53.5172","0.0016","17.0124","0.0006","7.5768","0.0002","90","","90","","90","","6898.3","0.4","173","2","173","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","1-{2-[(2,4-Dimethylphenyl)amino]-5-[(2-hydroxyphenyl)carbonyl]furan-3-yl}ethan-1-one","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C336 H304 N16 O64 -","16","","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0575","0.0422","","","0.0819","0.0886","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154182","9.702","0.0002","6.8943","0.0001","16.0179","0.0003","90","","91.201","0.001","90","","1071.18","0.03","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","<i>N</i>-(4-Chlorophenyl)-5-[(2-hydroxy-4-methoxyphenyl)carbonyl]-2-methylfuran-3-carboxamide * dimethylsulfoxide","","- C22 H22 Cl N O6 S -","- C22 H23 Cl N O6 S -","- C44 H46 Cl2 N2 O12 S2 -","2","0.5","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0465","0.0382","","","0.1038","0.1126","","","","","","1.025","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154183","4.9114","0.0004","9.9314","0.0007","36.687","0.003","90","","90","","90","","1789.5","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","3-Benzoyl-2-(phenylamino)-9<i>H</i>-furo[3,2-<i>b</i>]chromen-9-one","","- C24 H15 N O4 -","- C24 H15 N O4 -","- C96 H60 N4 O16 -","4","1","","Savych, Iryna; Gläsel, Tim; Villinger, Alexander; Sosnovskikh, Vyacheslav Ya; Iaroshenko, Viktor O.; Langer, Peter","Synthesis of functionalized 2-salicyloylfurans, furo[3,2-b]chromen-9-ones and 2-benzoyl-8H-thieno[2,3-b]indoles by one-pot cyclizations of 3-halochromones with β-ketoamides and 1,3-dihydroindole-2-thiones.","Organic & biomolecular chemistry","2015","13","3","729","750","10.1039/c4ob01730g","","","0.71073","MoKα","","0.0937","0.048","","","0.0925","0.1105","","","","","","1.01","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154191","14.6","0.003","15.398","0.003","15.703","0.004","99.409","0.01","90.878","0.012","117.283","0.009","3078.8","1.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H87 N9 O24.5 S3 -","- C48 H87 N9 O24.33 S3 -","- C96 H174 N18 O48.66 S6 -","2","1","","Mateus, Pedro; Delgado, Rita; André, Vânia; Teresa Duarte, M.","Sulfate recognition by a hexaaza cryptand receptor.","Organic & biomolecular chemistry","2015","13","3","834","842","10.1039/c4ob02027h","","","0.71069","MoKα","","0.0781","0.0609","","","0.1799","0.1968","","","","","","1.061","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154193","13.141","0.005","13.962","0.005","16.15","0.006","66.89","0.03","74.79","0.04","89.89","0.03","2612.8","1.9","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H28 N2 O4 S2 -","- C28 H28 N2 O4 S2 -","- C112 H112 N8 O16 S8 -","4","2","","Tian, Yu; Wang, Yuanhao; Shang, Hai; Xu, Xudong; Tang, Yefeng","Rhodium(II)-catalyzed intramolecular formal [4 + 3] cycloadditions of dienyltriazoles: rapid access to fused 2,5-dihydroazepines.","Organic & biomolecular chemistry","2015","13","2","612","619","10.1039/c4ob01910e","","","0.71073","MoKα","","0.1566","0.0533","","","0.088","0.1148","","","","","","1.018","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154194","12.2471","0.0006","5.6271","0.0003","13.2223","0.0006","90","","112.39","0.002","90","","842.53","0.07","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","hydroxy(3-nitrophenyl)methyl)phosphinate","","","- C15 H19 N2 O5 P -","- C15 H19 N2 O5 P -","- C30 H38 N4 O10 P2 -","2","1","","Commare, Bruno; Rigault, Delphine; Lemasson, Isabelle A.; Deschamps, Patrick; Tomas, Alain; Roussel, Pascal; Brabet, Isabelle; Goudet, Cyril; Pin, Jean-Philippe; Leroux, Frédéric R; Colobert, Françoise; Acher, Francine C.","Determination of the absolute configuration of phosphinic analogues of glutamate.","Organic & biomolecular chemistry","2015","13","4","1106","1112","10.1039/c4ob01960a","","","0.71073","MoKα","","0.0576","0.0351","","","0.087","0.1123","","","","","","1.106","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154195","7.29191","0.00019","16.5352","0.0004","16.003","0.0004","90","","99.499","0.003","90","","1903.08","0.08","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H38 O12 -","- C42 H38 O12 -","- C84 H76 O24 -","2","1","","Huang, Xin; Fu, Chunling; Ma, Shengming","Palladium(0)-catalyzed synthesis of cyclic glucosides.","Organic & biomolecular chemistry","2015","13","1","248","251","10.1039/c4ob01975j","","","1.54184","CuKα","","0.0383","0.0354","","","0.0945","0.0981","","","","","","1.032","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154196","17.158","0.003","6.001","0.0012","15.681","0.003","90","","90","","90","","1614.6","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 Br N O2 -","- C19 H16 Br N O2 -","- C76 H64 Br4 N4 O8 -","4","1","","Guo, Jiajia; Yu, Shouyun","Enantioselective synthesis of benzoindolizidine derivatives using chiral phase-transfer catalytic intramolecular domino aza-Michael addition/alkylation.","Organic & biomolecular chemistry","2015","13","4","1179","1186","10.1039/c4ob02227k","","","0.71073","MoKα","","0.1486","0.0643","","","0.1009","0.1261","","","","","","1.001","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154197","8.5989","0.0006","16.1254","0.0013","15.4619","0.001","90","","95.125","0.006","90","","2135.4","0.3","293","","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 Cl F2 N O2 -","- C25 H20 Cl F2 N O2 -","- C100 H80 Cl4 F8 N4 O8 -","4","1","","Urvashi, ?; Rastogi, Gaurav K.; Ginotra, Sandeep K.; Agarwal, Alka; Tandon, Vibha","An expedient approach to 1,2-dihydroisoquinoline derivatives via cobalt catalysed 6-endo dig cyclization followed by Mannich condensation of o-alkynylarylaldimines.","Organic & biomolecular chemistry","2015","13","4","1000","1007","10.1039/c4ob02036g","","","0.71073","MoKα","","0.0708","0.0504","","","0.1069","0.1168","","","","","","1.041","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154198","9.6382","0.0007","12.519","0.0009","16.1542","0.0012","90","","101.439","0.002","90","","1910.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O4 -","- C20 H25 N O4 -","- C80 H100 N4 O16 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0483","0.0374","","","0.098","0.11","","","","","","1.15","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154199","5.518","0.002","26.082","0.01","8.581","0.005","90","","94.23","0.04","90","","1231.6","1","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0677","0.0522","","","0.14","0.1497","","","","","","1.144","","","","has coordinates","180327","2020-10-21","18:00:00",""
"7154200","17.6306","0.0004","6.5284","0.0002","18.1875","0.0004","90","","96.701","0.001","90","","2079.07","0.09","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 Cl O5 -","- C21 H27 Cl O5 -","- C84 H108 Cl4 O20 -","4","1","","Banerjee, Arghya; Santra, Sourav Kumar; Mishra, Aniket; Khatun, Nilufa; Patel, Bhisma K.","Copper(i)-promoted cycloalkylation-peroxidation of unactivated alkenes via sp(3) C-H functionalisation.","Organic & biomolecular chemistry","2015","13","5","1307","1312","10.1039/c4ob01962h","","","0.71073","MoKα","","0.0484","0.0395","","","0.0988","0.1038","","","","","","1.078","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154201","17.1143","0.0004","20.8803","0.0006","26.8416","0.0006","90","","90","","90","","9591.9","0.4","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","hw_c_17_2","5","","- C70.15 H81.65 Cl15.44 F1.5 N12 O19 S6 -","- C70.152 H81.152 Cl15.456 F1.5 N12 O19 S6 -","- C280.608 H324.608 Cl61.824 F6 N48 O76 S24 -","4","1","","Wu, Haifan; She, Fengyu; Gao, Wenyang; Prince, Austin; Li, Yaqiong; Wei, Lulu; Mercer, Allison; Wojtas, Lukasz; Ma, Shengqian; Cai, Jianfeng","The synthesis of head-to-tail cyclic sulfono-γ-AApeptides.","Organic & biomolecular chemistry","2015","13","3","672","676","10.1039/c4ob02232g","","","1.54178","CuKα","","0.1073","0.0677","","","0.1595","0.1828","","","","","","1.016","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154202","15.3554","0.0006","5.1394","0.0003","19.8167","0.0011","90","0.005","110.249","0.003","90","0.004","1467.23","0.13","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H6 N2 S5 -","- C14 H6 N2 S5 -","- C56 H24 N8 S20 -","4","1","","Pop, Flavia; Seifert, Sabine; Hankache, Jihane; Ding, Jie; Hauser, Andreas; Avarvari, Narcis","Modulation of the charge transfer and photophysical properties in non-fused tetrathiafulvalene-benzothiadiazole derivatives.","Organic & biomolecular chemistry","2015","13","4","1040","1047","10.1039/c4ob02100b","","","0.71073","MoKα","","0.0867","0.0424","","","0.0723","0.0844","","","","","","1.053","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154203","6.2637","0.0004","9.6026","0.0006","11.1057","0.0008","78.235","0.004","81.016","0.004","74.565","0.004","626.68","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","9-(4-Fluorophenyl)-9<i>H</i>-pyrido[2,3-b]indole","","- C17 H11 F N2 -","- C17 H11 F N2 -","- C34 H22 F2 N4 -","2","1","","Hung, Tran Quang; Dang, Tuan Thanh; Janke, Julia; Villinger, Alexander; Langer, Peter","Efficient synthesis of α- and δ-carbolines by sequential Pd-catalyzed site-selective C-C and twofold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","5","1375","1386","10.1039/c4ob02226b","","","0.71073","MoKα","","0.1111","0.0596","","","0.1181","0.1387","","","","","","1.031","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154204","13.9224","0.0007","11.0347","0.0005","16.4227","0.0009","90","","94.077","0.002","90","","2516.6","0.2","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","5-(4-Fluorophenyl)-5<i>H</i>-pyrido[3,2-b]indole","","- C17 H11 F N2 -","- C17 H11 F N2 -","- C136 H88 F8 N16 -","8","1","","Hung, Tran Quang; Dang, Tuan Thanh; Janke, Julia; Villinger, Alexander; Langer, Peter","Efficient synthesis of α- and δ-carbolines by sequential Pd-catalyzed site-selective C-C and twofold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","5","1375","1386","10.1039/c4ob02226b","","","0.71073","MoKα","","0.0769","0.0432","","","0.101","0.1155","","","","","","1.041","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154205","7.3662","0.0015","12.232","0.002","12.351","0.003","72.49","0.03","75.1","0.03","88.58","0.03","1023.9","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H16 N4 O -","- C25 H16 N4 O -","- C50 H32 N8 O2 -","2","1","","Zhu, Shifa; Huang, Xiaobing; Zhao, Tian-Qi; Ma, Tongmei; Jiang, Huanfeng","Metal-catalyzed formation of 1,3-cyclohexadienes: a catalyst-dependent reaction.","Organic & biomolecular chemistry","2015","13","4","1225","1233","10.1039/c4ob01922a","","","0.71073","MoKα","","0.1181","0.0419","","","0.112","0.1693","","","","","","0.994","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154206","8.9089","0.0003","14.1642","0.0004","19.4386","0.0006","95.371","0.001","96.23","0.001","101.484","0.001","2372.84","0.13","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C62 H55 N5 -","- C62 H55 N5 -","- C124 H110 N10 -","2","1","","Hernández-Alonso, D; Zankowski, S.; Adriaenssens, L.; Ballester, P.","Water-soluble aryl-extended calix[4]pyrroles with unperturbed aromatic cavities: synthesis and binding studies.","Organic & biomolecular chemistry","2015","13","4","1022","1029","10.1039/c4ob02108h","","","0.71073","MoKα","","0.0547","0.0452","","","0.1235","0.1357","","","","","","1.05","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154207","12.2582","0.0011","16.6588","0.0013","20.6422","0.0017","90","","101.775","0.003","90","","4126.6","0.6","122","","122","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C66 H100 N12 O20 S6 -","- C66 H100 N12 O20 S6 -","- C132 H200 N24 O40 S12 -","2","1","","Lisbjerg, Micke; Nielsen, Bjarne E.; Milhøj, Birgitte O; Sauer, Stephan P. A.; Pittelkow, Michael","Anion binding by biotin[6]uril in water.","Organic & biomolecular chemistry","2015","13","2","369","373","10.1039/c4ob02211d","","","0.71073","MoKα","","0.1368","0.0804","","","0.2055","0.2307","","","","","","0.969","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154208","19.221","0.003","19.221","0.003","26.996","0.004","90","","90","","90","","9974","3","123","2","123","2","","","","","","","","4","P 4/n n c :2","-P 4a 2bc","126","","","","- C113 H99 N9 O10 -","- C113 H99 N9 O10 -","- C452 H396 N36 O40 -","4","0.25","","Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu","Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state.","Organic & biomolecular chemistry","2015","13","6","1647","1653","10.1039/c4ob02251c","","x-ray","0.71073","MoKα","","0.1074","0.0984","","","0.2778","0.2863","","","","","","1.072","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154209","25.752","0.006","14.426","0.003","19.859","0.005","90","","123.395","0.002","90","","6160","2","123","2","123","2","","","","","","","","4","C 1 2/m 1","-C 2y","12","","","","- C48 H52 I4 O8 -","- C48 H52 I4 O8 -","- C192 H208 I16 O32 -","4","0.5","","Kobayashi, Mutsumi; Takatsuka, Mei; Sekiya, Ryo; Haino, Takeharu","Molecular recognition of upper rim functionalized cavitand and its unique dimeric capsule in the solid state.","Organic & biomolecular chemistry","2015","13","6","1647","1653","10.1039/c4ob02251c","","x-ray","0.71073","MoKα","","0.0628","0.0544","","","0.1477","0.1521","","","","","","1.086","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154210","9.4466","0.0014","12.186","0.0018","18.704","0.003","90","","90","","90","","2153.1","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C88 H96 N8 O24 -","4","1","","Alcaide, Benito; Almendros, Pedro; Aragoncillo, Cristina; Callejo, Ricardo; Pilar Ruiz, M.; Rosario Torres, M.","Investigation of the Passerini and Ugi reactions in β-lactam aldehydes. Synthetic applications.","Organic & biomolecular chemistry","2015","13","5","1387","1394","10.1039/c4ob02289k","","","0.71073","MoKα","","0.1557","0.0526","","","0.128","0.1747","","","","","","0.994","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154211","16.611","0.0016","14.92","0.002","12.644","0.002","90","","111.924","0.008","90","","2907","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63 H66 Br2 N6 O7 -","- C63 H66 Br2 N6 O7 -","- C126 H132 Br4 N12 O14 -","2","0.5","","Xu, Xiao-Liang; Yu, Chun-Lei; Chen, Wen; Li, Ying-Chao; Yang, Li-Juan; Li, Yan; Zhang, Hong-Bin; Yang, Xiao-Dong","Synthesis and antitumor activity of novel 2-substituted indoline imidazolium salt derivatives.","Organic & biomolecular chemistry","2015","13","5","1550","1557","10.1039/c4ob02385d","","","0.71073","MoKα","","0.1348","0.057","","","0.1446","0.1858","","","","","","0.968","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154212","10.018","0.002","13.304","0.003","13.868","0.003","90","","105.637","0.003","90","","1779.9","0.7","293","","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N2 O6 P -","- C16 H21 N2 O6 P -","- C64 H84 N8 O24 P4 -","4","1","","Ahamad, Shakir; Gupta, Ashis Kumar; Kant, Ruchir; Mohanan, Kishor","Domino reaction involving the Bestmann-Ohira reagent and α,β-unsaturated aldehydes: efficient synthesis of functionalized pyrazoles.","Organic & biomolecular chemistry","2015","13","5","1492","1499","10.1039/c4ob02365j","","","0.71075","MoKα","","0.0338","0.0301","","","0.0806","0.0827","","","","","","1.084","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154213","7.1637","0.0007","26.057","0.003","11.5507","0.0011","90","","95.513","0.002","90","","2146.1","0.4","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O5 -","- C26 H20 N2 O5 -","- C104 H80 N8 O20 -","4","1","","Kamal, Ahmed; Rahim, Abdul; Riyaz, Sd; Poornachandra, Y.; Balakrishna, Moku; Kumar, C. Ganesh; Hussaini, Syed Mohammed Ali; Sridhar, B.; Machiraju, Pavan Kumar","Regioselective synthesis, antimicrobial evaluation and theoretical studies of 2-styryl quinolines.","Organic & biomolecular chemistry","2015","13","5","1347","1357","10.1039/c4ob02277g","","","0.71073","MoKα","","0.1018","0.0826","","","0.1581","0.1668","","","","","","1.25","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154214","14.5655","0.0005","8.3351","0.0003","26.0998","0.001","90","","90","","90","","3168.6","0.2","223.1","0.3","223.1","0.3","","","","","","","see text","6","P b c a","-P 2ac 2ab","61","Thiaplakortone A hydrochoride dihydrate","","","- C12 H16 Cl N3 O6 S -","- C12 H16 Cl N3 O6 S -","- C96 H128 Cl8 N24 O48 S8 -","8","1","","Schwartz, Brett D.; Skinner-Adams, Tina S; Andrews, Katherine T.; Coster, Mark J.; Edstein, Michael D.; MacKenzie, Donna; Charman, Susan A.; Koltun, Maria; Blundell, Scott; Campbell, Anna; Pouwer, Rebecca H.; Quinn, Ronald J.; Beattie, Karren D.; Healy, Peter C.; Davis, Rohan A.","Synthesis and antimalarial evaluation of amide and urea derivatives based on the thiaplakortone A natural product scaffold.","Organic & biomolecular chemistry","2015","13","5","1558","1570","10.1039/c4ob01849d","","","0.7107","MoKα","","0.0682","0.0516","","","0.114","0.1221","","","","","","1.109","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154215","10.0722","0.0006","24.9481","0.0018","7.5588","0.0005","90","","99.053","0.006","90","","1875.7","0.2","199.9","0.3","199.9","0.3","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","Thiaplakortone A Propylamide DMSO","","","- C17 H21 N3 O6 S2 -","- C17 H21 N3 O6 S2 -","- C68 H84 N12 O24 S8 -","4","1","","Schwartz, Brett D.; Skinner-Adams, Tina S; Andrews, Katherine T.; Coster, Mark J.; Edstein, Michael D.; MacKenzie, Donna; Charman, Susan A.; Koltun, Maria; Blundell, Scott; Campbell, Anna; Pouwer, Rebecca H.; Quinn, Ronald J.; Beattie, Karren D.; Healy, Peter C.; Davis, Rohan A.","Synthesis and antimalarial evaluation of amide and urea derivatives based on the thiaplakortone A natural product scaffold.","Organic & biomolecular chemistry","2015","13","5","1558","1570","10.1039/c4ob01849d","","","0.7107","MoKα","","0.0854","0.0534","","","0.1063","0.1246","","","","","","1.056","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154216","9.019","0.005","9.387","0.005","9.84","0.005","103.834","0.01","111.51","0.011","104.812","0.011","696.1","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H11 B F2 N2 S -","- C15 H11 B F2 N2 S -","- C30 H22 B2 F4 N4 S2 -","2","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.0747","0.0462","","","0.1386","0.1609","","","","","","1.024","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154217","9.144","0.004","9.856","0.004","11.616","0.004","83.242","0.006","75.289","0.006","68.965","0.007","944.7","0.7","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H15 B F2 N2 S2 -","- C21 H15 B F2 N2 S2 -","- C42 H30 B2 F4 N4 S4 -","2","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.068","0.041","","","0.1088","0.1382","","","","","","0.747","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154218","9.462","0.003","12.722","0.004","20.648","0.006","90","","99.442","0.006","90","","2451.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 B F2 N2 S3 -","- C27 H19 B F2 N2 S3 -","- C108 H76 B4 F8 N8 S12 -","4","1","","Roacho, Robinson I.; Metta-Magaña, Alejandro; Peña-Cabrera, Eduardo; Pannell, Keith","Unprecedented one-pot sequential thiolate substitutions under mild conditions leading to a red emissive BODIPY dye 3,5,8-tris(PhS)-BODIPY.","Organic & biomolecular chemistry","2015","13","4","995","999","10.1039/c4ob01892c","","","0.71073","MoKα","","0.0858","0.0547","","","0.1616","0.1857","","","","","","1.164","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154219","9.751","0.005","18.905","0.005","16.646","0.005","90","0.005","92.408","0.005","90","0.005","3066","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 N2 O2 S -","- C17 H16 N2 O2 S -","- C136 H128 N16 O16 S8 -","8","2","","Saunthwal, Rakesh K.; Patel, Monika; Danodia, Abhinandan K.; Verma, Akhilesh K.","Pd-catalyzed Heck-conjoined amidation and concomitant chemoselective Michael-addition: an efficient tandem approach to highly functionalized tetrahydroquinazolines from o-haloanilines.","Organic & biomolecular chemistry","2015","13","5","1521","1530","10.1039/c4ob02286f","","","0.71073","MoKα","","0.0602","0.0418","","","0.0958","0.1018","","","","","","1.033","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154220","9.095","0.004","11.415","0.004","17.22","0.006","90","","90","","90","","1787.8","1.2","100","","100","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Cheng, Jin-Tang; Chen, Xiang-Yu; Ye, Song","N-heterocyclic carbene-catalyzed cyclocondensation of 2-aryl carboxylic acids and enones: highly enantioselective synthesis of δ-lactones.","Organic & biomolecular chemistry","2015","13","5","1313","1316","10.1039/c4ob02330g","","","1.54187","CuKα","","0.0392","0.029","","","0.0634","0.074","","","","","","1.095","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154221","25.278","0.0011","7.9874","0.0003","14.5933","0.0005","90","","94.398","0.004","90","","2937.8","0.2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 O1.5 P -","- C17 H18 O1.5 P -","- C136 H144 O12 P8 -","8","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0588","0.0437","","","0.094","0.1023","","","","","","1.039","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154222","9.0477","0.0002","17.5321","0.0004","9.9229","0.0002","90","","93.056","0.002","90","","1571.78","0.06","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 O P -","- C20 H21 O P -","- C80 H84 O4 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.5418","CuKα","","0.0465","0.0385","","","0.0954","0.1021","","","","","","1.045","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154223","20.4116","0.0008","10.1465","0.0004","15.7185","0.0008","90","","108.406","0.005","90","","3088.9","0.2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 Br O P -","- C17 H16 Br O P -","- C136 H128 Br8 O8 P8 -","8","2","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0743","0.0461","","","0.1061","0.1234","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154224","11.56214","0.0001","11.41592","0.0001","21.7492","0.0002","90","","100.089","0.0009","90","","2826.34","0.04","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H32 O2 P2 -","- C34 H32 O2 P2 -","- C136 H128 O8 P8 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.5418","CuKα","","0.0431","0.0382","","","0.0891","0.0929","","","","","","1.04","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154225","35.515","0.002","14.5644","0.0007","5.7956","0.0004","90","","90","","90","","2997.8","0.3","100","2","100","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C17 H19 O2 P -","- C17 H19 O2 P -","- C136 H152 O16 P8 -","8","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.54184","CuKα","","0.0804","0.0679","","","0.1723","0.1799","","","","","","1.122","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154226","8.32","0.0004","8.3517","0.0005","11.5876","0.0006","96.038","0.004","90.854","0.004","100.324","0.005","787.28","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H18 Br O2 P -","- C17 H18 Br O2 P -","- C34 H36 Br2 O4 P2 -","2","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.7107","MoKα","","0.0319","0.0262","","","0.0569","0.059","","","","","","1.055","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154227","9.58114","0.00014","17.273","0.0002","11.63272","0.00016","90","","98.4889","0.0014","90","","1904.07","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 O2 P -","- C23 H23 O2 P -","- C92 H92 O8 P4 -","4","1","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","1.54184","CuKα","","0.0363","0.0335","","","0.0868","0.0892","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154228","10.8596","0.0004","17.6855","0.0006","18.0481","0.0007","63.547","0.004","75.76","0.003","89.15","0.003","2990","0.2","58","60","58","60","","","","","","","","4","P -1","-P 1","2","","","","- C34 H37 O4.5 P2 -","- C34 H37 O4.5 P2 -","- C136 H148 O18 P8 -","4","2","","Bogachenkov, Alexander S.; Dogadina, Albina V.; Boyarskiy, Vadim P.; Vasilyev, Aleksander V.","Acid-promoted transformations of 1-(diphenylphosphoryl)allenes: synthesis of novel 1,4-dihydrophosphinoline 1-oxides.","Organic & biomolecular chemistry","2015","13","5","1333","1338","10.1039/c4ob02269f","","","0.71073","MoKα","","0.0665","0.048","","","0.1151","0.1257","","","","","","1.012","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7154229","17.3691","0.0011","11.8081","0.0008","17.9776","0.0013","90","","118.401","0.001","90","","3243.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H45 Cl N12 S2 -","- C27 H45 Cl N12 S2 -","- C108 H180 Cl4 N48 S8 -","4","1","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.71075","MoKα","K-L~3~","0.0378","0.0314","","","0.0816","0.0854","","","","","","1.047","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154230","10.391","0.002","16.944","0.004","18.9","0.004","107.255","0.002","90.906","0.002","96.74","0.002","3151.4","1.2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H36 Cl N12 O0.5 S2 -","- C26 H35 Cl N12 O0.5 S2 -","- C104 H140 Cl4 N48 O2 S8 -","4","2","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.6889","Synchrotron","","0.1459","0.0832","","","0.2143","0.2721","","","","","","1.017","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7154231","10.1456","0.0007","15.6738","0.0011","19.0361","0.0013","91.48","0.005","97.78","0.005","94.128","0.005","2989.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H36 Cl N13 S2 -","- C25 H36 Cl N13 S2 -","- C100 H144 Cl4 N52 S8 -","4","2","","Merckx, Tamara; Haynes, Cally J. E.; Karagiannidis, Louise E.; Clarke, Harriet J.; Holder, Katie; Kelly, Alexandra; Tizzard, Graham J.; Coles, Simon J.; Verwilst, Peter; Gale, Philip A.; Dehaen, Wim","Anion binding and transport properties of cyclic 2,6-bis(1,2,3-triazol-1-yl)pyridines.","Organic & biomolecular chemistry","2015","13","6","1654","1661","10.1039/c4ob02236j","","x-ray","0.71075","MoKα","K-L~3~","0.1201","0.0797","","","0.2159","0.2484","","","","","","1.025","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154232","12.002","0.0009","14.6553","0.001","15.1609","0.0013","79.909","0.006","70.047","0.007","81.089","0.006","2454.8","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C56 H36 Cl6 N6 Ni S -","- C56 H36 Cl6 N6 Ni S -","- C112 H72 Cl12 N12 Ni2 S2 -","2","1","","Singh, Dileep Kumar; Nath, Mahendra","Ambient temperature synthesis of β,β'-fused nickel(ii) pyrrolo[1,2-a]pyrazinoporphyrins via a DBSA-catalyzed Pictet-Spengler approach.","Organic & biomolecular chemistry","2015","13","6","1836","1845","10.1039/c4ob02370f","","","0.71073","MoKα","","0.0964","0.0844","","","0.2479","0.2611","","","","","","1.021","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154233","13.3636","0.0013","29.0621","0.0018","12.7286","0.0011","90","","116.573","0.012","90","","4421.3","0.8","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C54 H33 Cl3 N6 Ni S -","- C54 H33 Cl3 N6 Ni S -","- C216 H132 Cl12 N24 Ni4 S4 -","4","1","","Singh, Dileep Kumar; Nath, Mahendra","Ambient temperature synthesis of β,β'-fused nickel(ii) pyrrolo[1,2-a]pyrazinoporphyrins via a DBSA-catalyzed Pictet-Spengler approach.","Organic & biomolecular chemistry","2015","13","6","1836","1845","10.1039/c4ob02370f","","","0.71073","MoKα","","0.0894","0.0776","","","0.1907","0.1978","","","","","","1.141","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154234","7.4058","0.0006","12.3833","0.0012","18.9412","0.0018","90","","90","","90","","1737.1","0.3","233","2","233","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C80 H84 N4 O12 -","4","1","","Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario","Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.","Organic & biomolecular chemistry","2015","13","7","2092","2099","10.1039/c4ob02318h","","","0.71073","MoKα","","0.04","0.0352","","","0.0934","0.0978","","","","","","1.043","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154235","7.8797","0.0017","12.465","0.003","25.404","0.004","90","","90","","90","","2495.2","0.9","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 Br N2 O4 -","- C25 H29 Br N2 O4 -","- C100 H116 Br4 N8 O16 -","4","1","","Pichler, Mathias; Novacek, Johanna; Robiette, Raphaël; Poscher, Vanessa; Himmelsbach, Markus; Monkowius, Uwe; Müller, Norbert; Waser, Mario","Asymmetric syntheses of three-membered heterocycles using chiral amide-based ammonium ylides.","Organic & biomolecular chemistry","2015","13","7","2092","2099","10.1039/c4ob02318h","","","0.71073","MoKα","","0.0794","0.047","","","0.0948","0.1078","","","","","","0.989","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154236","10.0269","0.0003","11.0127","0.0003","19.1212","0.0005","100.996","0.002","90.025","0.002","90.667","0.001","2072.51","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","foldamers","","","- C18 H27 N3 O7 S -","- C18 H27 N3 O7 S -","- C72 H108 N12 O28 S4 -","4","2","","Priya, Gowri; Kotmale, Amol S.; Chakravarty, Debamitra; Puranik, Vedavati G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Conformational modulation of peptides using β-amino benzenesulfonic acid ((S)Ant).","Organic & biomolecular chemistry","2015","13","7","2087","2091","10.1039/c4ob02421d","","","0.71073","MoKα","","0.0487","0.036","","","0.0829","0.0893","","","","","","1.015","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154237","5.83","0.003","9.556","0.004","31.119","0.014","90","","90","","90","","1733.7","1.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 N2 O8 -","- C18 H16 N2 O8 -","- C72 H64 N8 O32 -","4","1","","Jana, Anupam; Mondal, Sujit; Ghosh, Subrata","Studies towards the synthesis of bielschowskysin. Construction of the highly functionalized bicyclo[3.2.0]heptane segment.","Organic & biomolecular chemistry","2015","13","6","1846","1859","10.1039/c4ob02182g","","","0.71073","MoKα","","0.1106","0.0596","","","0.1321","0.1866","","","","","","0.999","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154238","26.4067","0.0019","8.6803","0.0006","13.9116","0.001","90","","97.632","0.003","90","","3160.5","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C144 H152 N8 O32 -","8","1","","Xie, Yuanwei; Que, Yonglei; Li, Tuanjie; Zhu, Ling; Yu, Chenxia; Yao, Changsheng","N-heterocyclic carbene-catalyzed [4 + 2] cyclization of 2-bromo-2-enal with 3-alkylenyloxindoles: efficient assembly of spirocarbocyclic oxindole.","Organic & biomolecular chemistry","2015","13","6","1829","1835","10.1039/c4ob01706d","","","0.71073","MoKα","","0.0498","0.0422","","","0.1178","0.1292","","","","","","1.044","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154239","8.1644","0.0009","10.198","0.0011","21.107","0.002","90","","101.151","0.001","90","","1724.2","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 -","- C23 H18 N2 -","- C92 H72 N8 -","4","1","","Mao, Dan; Tang, Jun; Wang, Wenbo; Liu, Xin; Wu, Shengying; Yu, Jianjun; Wang, Limin","A Sc(OTf)3-catalyzed cascade reaction of o-aminoacetophenone with methanamine: construction of dibenzo[b,h][1,6]naphthyridine derivatives.","Organic & biomolecular chemistry","2015","13","7","2122","2128","10.1039/c4ob02220c","","","0.71073","MoKα","","0.07","0.0557","","","0.1587","0.1697","","","","","","1.095","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154240","7.5151","0.0002","8.3328","0.0002","13.0372","0.0004","88.341","0.002","76.984","0.002","67.407","0.001","732.89","0.04","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","Diethyl 2-(2-oxo-1,2,3,4-tetrahydroquinazolin-4-yl)malonate","","- C15 H18 N2 O5 -","- C15 H18 N2 O5 -","- C30 H36 N4 O10 -","2","1","","Stevens, Marc Y.; Wieckowski, Krzysztof; Wu, Peng; Sawant, Rajiv T.; Odell, Luke R.","A microwave-assisted multicomponent synthesis of substituted 3,4-dihydroquinazolinones.","Organic & biomolecular chemistry","2015","13","7","2044","2054","10.1039/c4ob02417f","","","0.71073","MoKα","","0.055","0.0447","","","0.1104","0.1175","","","","","","1.029","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154241","8.8818","0.0003","16.2625","0.0006","26.4923","0.0009","97.863","0.003","90.585","0.003","105.42","0.003","3649.8","0.2","123","","123","","","","","","","","","7","P -1","-P 1","2","","","","- C64 H71 Au3 Cl2 N9 O15 P3 -","- C64 H71 Au3 Cl2 N9 O15 P3 -","- C128 H142 Au6 Cl4 N18 O30 P6 -","2","1","","Moro, Artur J.; Rome, Bertrand; Aguiló, Elisabet; Arcau, Julià; Puttreddy, Rakesh; Rissanen, Kari; Lima, João Carlos; Rodríguez, Laura","A coumarin based gold(i)-alkynyl complex: a new class of supramolecular hydrogelators.","Organic & biomolecular chemistry","2015","13","7","2026","2033","10.1039/c4ob02077d","","x-ray","1.54184","CuKα","","0.0492","0.0415","","","0.11","0.114","","","","","","1.036","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154242","18.306","0.004","5.603","0.0011","16.578","0.003","90","","101.41","0.03","90","","1666.8","0.6","100","2","100","2","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","(Z)-4-(1-Fluoro-2-phenylprop-1-en-1-yl)-1-(3-phenylpropyl)-1H-1,2,3-triazole","","- C20 H20 F N3 -","- C20 H20 F N3 -","- C80 H80 F4 N12 -","4","1","","Kumar, Rakesh; Singh, Govindra; Todaro, Louis J.; Yang, Lijia; Zajc, Barbara","E- or Z-Selective synthesis of 4-fluorovinyl-1,2,3-triazoles with fluorinated second-generation Julia-Kocienski reagents.","Organic & biomolecular chemistry","2015","13","5","1536","1549","10.1039/c4ob02179g","","","0.71073","MoKα","","0.1243","0.061","","","0.1177","0.1395","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154243","11.6216","0.0006","20.8276","0.0009","11.8949","0.0007","90","","96.3419","0.0017","90","","2861.5","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-Chloro-1',1''-dimethyl-4'-(4-methylphenyl)-5''-[(4-methylphenyl)methylidene]-dispiro[3H-indole-3,2'-pyrrolidine-3',3''-piperidine]-2(1H),4''-dione","","- C32 H32 Cl N3 O2 -","- C32 H32 Cl N3 O2 -","- C128 H128 Cl4 N12 O8 -","4","1","","Girgis, Adel S.; Panda, Siva S.; Farag, I. S. Ahmed; El-Shabiny, A M; Moustafa, A. M.; Ismail, Nasser S. M.; Pillai, Girinath G.; Panda, Chandramukhi S.; Hall, C. Dennis; Katritzky, Alan R.","Synthesis, and QSAR analysis of anti-oncological active spiro-alkaloids.","Organic & biomolecular chemistry","2015","13","6","1741","1753","10.1039/c4ob02149e","","","0.71073","MoKα","","0.3533","0.0685","","0.2459","0.1331","0.1331","","","","","","1.0301","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154244","10.7927","0.0007","11.6842","0.0008","12.384","0.001","81.436","0.005","87.887","0.005","69.366","0.005","1444.99","0.19","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","2","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","Mo-Kα","","0.151","0.051","","0.239","","0.07","","","4.197","","","1.161","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154245","9.8087","0.0018","6.9137","0.0012","20.582","0.004","90","","97.156","0.005","90","","1384.9","0.4","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","MoKα","","0.1575","0.0588","","","0.1137","0.1432","","","","","","1.062","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154246","7.8484","0.0002","19.3484","0.0004","17.9841","0.0004","90","","93.426","0.001","90","","2726.08","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C120 H176 O24 -","8","2","","Heinrich, Clément F; Miesch, Michel; Miesch, Laurence","In situ intramolecular catalytic 1,2-addition of allenoates to cyclic ketones towards polycyclic allenoates.","Organic & biomolecular chemistry","2015","13","7","2153","2156","10.1039/c4ob02451f","","","0.71073","MoKα","","0.0873","0.0598","","","0.1616","0.1829","","","","","","1.028","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154247","14.1867","0.0012","12.1288","0.001","34.654","0.003","90","0.004","92.316","0.004","90","0.004","5958","0.9","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H40.5 N2.5 O4.5 S -","- C30 H40.5 N2.5 O4.5 S -","- C240 H324 N20 O36 S8 -","8","2","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.064","","","","0.239","","","","","","0.92","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154248","27.834","0.01","8.119","0.003","8.839","0.003","90","","90","","90","","1997.5","1.2","93","","93","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","1","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.0692","","","","0.1792","","","","","","1.124","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154249","10.077","0.003","14.486","0.005","12.738","0.004","90","","91.567","0.009","90","","1858.7","1","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 Cl N O2 -","- C21 H24 Cl N O2 -","- C84 H96 Cl4 N4 O8 -","4","1","","Richmond, Edward; Ling, Kenneth B.; Duguet, Nicolas; Manton, Lois B.; Çelebi-Ölçüm, Nihan; Lam, Yu-Hong; Alsancak, Sezen; Slawin, Alexandra M. Z.; Houk, K. N.; Smith, Andrew D.","An asymmetric pericyclic cascade approach to 3-alkyl-3-aryloxindoles: generality, applications and mechanistic investigations.","Organic & biomolecular chemistry","2015","13","6","1807","1817","10.1039/c4ob02526a","","","0.71075","MoKα","","","0.0557","","","","0.148","","","","","","1.042","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154250","13.7407","0.0018","15.432","0.002","24.564","0.003","90","","90","","90","","5208.7","1.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C28 H30 O9 -","- C28 H30 O9 -","- C224 H240 O72 -","8","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.1189","0.0756","","","0.201","0.2417","","","","","","0.792","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154251","10.9061","0.0008","13.3097","0.001","21.2966","0.0015","90","","90.467","0.001","90","","3091.2","0.4","297","2","297","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H36 O12 -","- C32 H36 O12 -","- C128 H144 O48 -","4","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0683","0.0523","","","0.1332","0.1444","","","","","","1.032","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154252","13.2799","0.0012","15.4053","0.0014","26.172","0.003","90","","100.352","0.002","90","","5267.1","0.9","240","2","240","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H27 O7.5 -","- C27 H26 O7.5 -","- C216 H208 O60 -","8","2","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0974","0.058","","","0.1406","0.1623","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154253","11.5941","0.0013","10.9801","0.0012","23.784","0.002","90","","112.074","0.006","90","","2805.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 O10 -","- C30 H34 O10 -","- C120 H136 O40 -","4","1","","Senthilkumar, B.; Gonnade, R. G.; Ramana, C. V.","Pd-catalyzed benzylic C-H oxidation of cyclotriveratrylene - product diversity.","Organic & biomolecular chemistry","2015","13","8","2323","2329","10.1039/c4ob02469a","","","0.71073","MoKα","","0.0912","0.0862","","","0.0952","0.0957","","","","","","2.77","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154254","9.2888","0.0002","6.043","0.0001","27.8317","0.0006","90","","90","","90","","1562.26","0.05","150","2","150.15","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C76 H88 N8 O4 -","4","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.5418","CuKα","","0.0321","0.0309","","","0.082","0.0833","","","","","","1.044","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154255","27.3686","0.0006","6.32664","0.00013","8.74746","0.00017","90","","90","","90","","1514.63","0.05","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.5418","CuKα","","0.0346","0.0343","","","0.0913","0.0915","","","","","","1.035","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154256","5.3351","0.0003","10.0384","0.0005","15.6306","0.0009","106.562","0.005","98.033","0.005","95.518","0.004","786.31","0.08","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H22 N2 O -","- C19 H22 N2 O -","- C38 H44 N4 O2 -","2","1","","Perryman, Michael S.; Earl, Matthew W. M.; Greatorex, Sam; Clarkson, Guy J.; Fox, David J.","Synthesis of 1- and 4-substituted piperazin-2-ones via Jocic-type reactions with N-substituted diamines.","Organic & biomolecular chemistry","2015","13","8","2360","2365","10.1039/c4ob02311k","","","1.54184","CuKα","","0.0444","0.042","","","0.1158","0.1183","","","","","","1.049","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154257","7.4735","0.0006","23.4154","0.0011","7.4325","0.0007","90","","102.242","0.003","90","","1271.07","0.17","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N O4 -","- C13 H17 N O4 -","- C52 H68 N4 O16 -","4","1","","Xuan, Jun; Pan, Saiyong; Zhang, Yuanbao; Ye, Bin; Ding, Hanfeng","Construction of the tricyclic core of steenkrotin-type diterpenoids via intramolecular [3 + 2] cycloaddition.","Organic & biomolecular chemistry","2015","13","6","1643","1646","10.1039/c4ob02439g","","","0.71073","MoKα","","0.0661","0.062","","","0.1505","0.1543","","","","","","1.004","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154258","20.294","0.003","6.4701","0.0008","15.4757","0.0017","90","","96.306","0.004","90","","2019.7","0.4","213","2","213","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H28 O5 S -","- C23 H28 O5 S -","- C92 H112 O20 S4 -","4","1","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0768","0.0598","","","0.1608","0.172","","","","","","1.17","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154259","10.4931","0.0008","11.5171","0.001","28.284","0.002","90","","91.379","0.004","90","","3417.1","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H42 O12 S3 -","- C29 H42 O12 S3 -","- C116 H168 O48 S12 -","4","2","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0843","0.0605","","","0.1574","0.1826","","","","","","0.994","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154260","5.227","0.0006","25.122","0.003","16.5667","0.0018","90","","99.08","","90","","2148.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H24 O10 S3 -","- C17 H24 O10 S3 -","- C68 H96 O40 S12 -","4","2","","Moya-López, Juan Francisco; Elhalem, Eleonora; Recio, Rocío; Álvarez, Eleuterio; Fernández, Inmaculada; Khiar, Noureddine","Studies on the diastereoselective oxidation of 1-thio-β-d-glucopyranosides: synthesis of the usually less favoured RS sulfoxide as a single diastereoisomer.","Organic & biomolecular chemistry","2015","13","6","1904","1914","10.1039/c4ob02030h","","","0.71073","MoKα","","0.0896","0.0674","","","0.1116","0.1632","","","","","","1.029","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154261","15.814","0.004","14.779","0.003","21.657","0.005","90","","96.603","0.004","90","","5028","2","173.15","","173.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C84 H90 N2 O24 -","- C84 H90 N2 O24 -","- C168 H180 N4 O48 -","2","0.5","","Zeng, Fei; Chen, Chuan-Feng","Synthesis of a novel water-soluble cylindrical macrotricyclic host and its complexation with N-methylquinolinium and N-methylisoquinolinium salts: formation of 1 : 2 complexes in water.","Organic & biomolecular chemistry","2015","13","7","1988","1991","10.1039/c4ob02533d","","","0.71073","MoKα","","0.1401","0.1131","","","0.287","0.3004","","","","","","1.622","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154262","7.536","0.0015","15.774","0.003","14.325","0.003","90","","101.14","0.03","90","","1670.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N2 O4 -","- C19 H20 N2 O4 -","- C76 H80 N8 O16 -","4","1","","Kumar, Tarun; Verma, Deepti; Menna-Barreto, Rubem F S; Valença, Wagner O; da Silva Júnior, Eufrânio N; Namboothiri, Irishi N. N.","Synthesis of imidazoles via cascade reaction of nitroallylic acetates with amidines and studies on their trypanocidal activity.","Organic & biomolecular chemistry","2015","13","7","1996","2000","10.1039/c4ob02561j","","","0.71073","MoKα","","0.114","0.0727","","","0.1632","0.2026","","","","","","1.09","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154263","5.5082","0.0017","10.112","0.002","11.961","0.002","66.024","0.017","83.58","0.03","78.23","0.02","595.6","0.3","93","","93","","","","","","","","","5","P 1","P 1","1","","","","- C27 H25 N O6 S -","- C27 H25 N O6 S -","- C27 H25 N O6 S -","1","1","","Yeh, Pei-Pei; Daniels, David S. B.; Fallan, Charlene; Gould, Eoin; Simal, Carmen; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones.","Organic & biomolecular chemistry","2015","13","7","2177","2191","10.1039/c4ob02408g","","","0.71075","MoKα","","0.0445","0.042","","","0.0936","0.0958","","","","","","1.047","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154264","12.537","0.003","8.0131","0.0015","12.749","0.004","90","","111.21","0.007","90","","1194","0.5","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H23 N O6 S -","- C26 H23 N O6 S -","- C52 H46 N2 O12 S2 -","2","1","","Yeh, Pei-Pei; Daniels, David S. B.; Fallan, Charlene; Gould, Eoin; Simal, Carmen; Taylor, James E.; Slawin, Alexandra M. Z.; Smith, Andrew D.","Exploring the scope of the isothiourea-mediated synthesis of dihydropyridinones.","Organic & biomolecular chemistry","2015","13","7","2177","2191","10.1039/c4ob02408g","","","1.54187","CuKα","","0.0492","0.0466","","","0.1152","0.1166","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154265","10.418","0.006","14.443","0.007","17.001","0.008","90","","90.66","0.04","90","","2558","2","203","2","203","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C46 H72 B2 Li2 N2 O8 S2 -","- C46 H72 B2 Li2 N2 O8 S2 -","- C92 H144 B4 Li4 N4 O16 S4 -","2","1","","Xu, Di; Dai, Li; Catellani, Marta; Motti, Elena; Della Ca', Nicola; Zhou, Zhiming","A novel enantioselective synthesis of 6H-dibenzopyran derivatives by combined palladium/norbornene and cinchona alkaloid catalysis.","Organic & biomolecular chemistry","2015","13","8","2260","2263","10.1039/c4ob02551b","","","0.7107","MoKα","","0.1114","0.0522","","","0.1198","0.14","","","","","","1.029","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154266","7.2904","0.0003","10.5177","0.0004","31.1288","0.001","90","","90","","90","","2386.9","0.15","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","PNP Pincer Pd","PN tBuMePdCl2","","- C17 H31 Cl2 N P2 Pd -","- C17 H31 Cl2.003 N P2 Pd -","- C68 H124 Cl8.012 N4 P8 Pd4 -","4","1","","Yang, Zehua; Xia, Chao; Liu, Delong; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-stereogenic PNP pincer-Pd catalyzed intramolecular hydroamination of amino-1,3-dienes.","Organic & biomolecular chemistry","2015","13","9","2694","2702","10.1039/c4ob02402h","","","0.71073","MoKα","","0.0593","0.0531","","","0.1625","0.1701","","","","","","1.143","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154267","10.9708","0.0004","8.8036","0.0003","11.9111","0.0005","90","","101.686","0.004","90","","1126.56","0.08","171.4","","171.4","","","","","","","","","5","P 1 n 1","P -2yac","7","5o","5o","","- C27 H29 N O2 S -","- C27 H29 N O2 S -","- C54 H58 N2 O4 S2 -","2","1","","Yang, Zehua; Xia, Chao; Liu, Delong; Liu, Yangang; Sugiya, Masashi; Imamoto, Tsuneo; Zhang, Wanbin","P-stereogenic PNP pincer-Pd catalyzed intramolecular hydroamination of amino-1,3-dienes.","Organic & biomolecular chemistry","2015","13","9","2694","2702","10.1039/c4ob02402h","","","1.54184","CuKα","","0.0565","0.0517","","","0.1351","0.1417","","","","","","1.033","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154268","8.778","0.005","27.635","0.005","7.797","0.005","90","","105.261","0.005","90","","1824.7","1.6","290","2","290","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(Z)-4-(9H-carbazol-9-yl)-N'-hydroxybenzimidamide","zzq0923","","- C19 H15 N3 O -","- C19 H15 N3 O -","- C76 H60 N12 O4 -","4","1","","Yang, Chu-Ting; Han, Jun; Liu, Jun; Gu, Mei; Li, Yi; Wen, Jun; Yu, Hai-Zhu; Hu, Sheng; Wang, Xiaolin","""One-pot"" synthesis of amidoxime via Pd-catalyzed cyanation and amidoximation.","Organic & biomolecular chemistry","2015","13","9","2541","2545","10.1039/c4ob02456g","","","0.71073","MoKα","","0.0952","0.0729","","","0.1903","0.1987","","","","","","1.085","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154269","8.928","0.0004","10.0923","0.0004","11.9044","0.0005","95.027","0.001","93.172","0.001","98.991","0.002","1052.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N2 O3 -","- C26 H22 N2 O3 -","- C52 H44 N4 O6 -","2","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0948","0.0626","","","0.1658","0.1904","","","","","","1.049","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154270","11.0752","0.0003","10.8473","0.0002","18.1152","0.0004","90","","103.625","0.002","90","","2115.04","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 N2 O3 -","- C28 H24 N2 O3 -","- C112 H96 N8 O12 -","4","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0868","0.0447","","","0.0997","0.1184","","","","","","1.014","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154271","10.3767","0.0004","10.8064","0.0004","15.0426","0.0005","75.845","0.002","76.824","0.002","62.065","0.002","1432.29","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H36 N2 O4 S -","- C32 H36 N2 O4 S -","- C64 H72 N4 O8 S2 -","2","1","","Bakthadoss, M.; Kannan, D.; Srinivasan, J.; Vinayagam, V.","Highly regio- and diastereo-selective synthesis of novel tri- and tetra-cyclic perhydroquinoline architectures via an intramolecular [3 + 2] cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","10","2870","2874","10.1039/c4ob02203c","","","0.71073","MoKα","","0.0545","0.0448","","","0.119","0.1289","","","","","","1.03","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154272","9.2474","0.0015","21.492","0.003","8.1455","0.0013","90","","93.323","0.003","90","","1616.2","0.4","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 7-Methylene-6-oxo-6,7-dihydrobenzo[2,3]azepino[4,5-b]indole-12(5H)-carboxylate","","- C20 H16 N2 O3 -","- C20 H16 N2 O3 -","- C80 H64 N8 O12 -","4","1","","Denis, J. G.; Franci, G.; Altucci, L.; Aurrecoechea, J. M.; de Lera, Á R; Álvarez, R","Synthesis of 7-alkylidene-7,12-dihydroindolo[3,2-d]benzazepine-6-(5H)-ones (7-alkylidene-paullones) by N-cyclization-oxidative Heck cascade and characterization as sirtuin modulators.","Organic & biomolecular chemistry","2015","13","9","2800","2810","10.1039/c4ob02493a","","","0.71073","MoKα","","0.0444","0.0339","","","0.0859","0.0959","","","","","","1.033","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154273","10.7866","0.0018","14.366","0.002","13.573","0.002","90","","111.734","0.003","90","","1953.8","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 7-(2-Ethoxy-2-oxoethylene)-6-oxo-6,7-dihydrobenzo[2,3]azepino[4,5-b]indole-12(5H)-carboxylate","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C92 H80 N8 O20 -","4","1","","Denis, J. G.; Franci, G.; Altucci, L.; Aurrecoechea, J. M.; de Lera, Á R; Álvarez, R","Synthesis of 7-alkylidene-7,12-dihydroindolo[3,2-d]benzazepine-6-(5H)-ones (7-alkylidene-paullones) by N-cyclization-oxidative Heck cascade and characterization as sirtuin modulators.","Organic & biomolecular chemistry","2015","13","9","2800","2810","10.1039/c4ob02493a","","","0.71073","MoKα","","0.0676","0.0376","","","0.0853","0.1058","","","","","","1.021","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154274","6.046","0.006","10.17","0.02","24.25","0.02","90","","90","","90","","1491","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(R)-2-ethyl-1-((S)-2-oxo-4-phenyloxazolidin-3-yl)butane-1,3-dione","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C60 H68 N4 O16 -","4","1","","Targel, Tom A.; Kumar, Jayprakash N.; Shneider, O. Svetlana; Bar, Sukanta; Fridman, Natalia; Maximenko, Shimon; Szpilman, Alex M.","Oxidative asymmetric umpolung alkylation of Evans' β-ketoimides using dialkylzinc nucleophiles.","Organic & biomolecular chemistry","2015","13","9","2546","2549","10.1039/c4ob02601b","","","0.71073","MoKα","","0.0712","0.0459","","","0.1114","0.1227","","","","","","1.028","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154275","14.9779","0.0006","15.1104","0.0006","23.1992","0.0008","86.107","0.002","81.276","0.002","67.781","0.002","4804.1","0.3","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C46 H48 Cl2 N14 O6 -","- C46 H48 Cl2 N14 O6 -","- C184 H192 Cl8 N56 O24 -","4","4","","Santos, Miguel M.; Marques, Igor; Carvalho, Sílvia; Moiteiro, Cristina; Félix, Vítor","Recognition of bio-relevant dicarboxylate anions by an azacalix[2]arene[2]triazine derivative decorated with urea moieties.","Organic & biomolecular chemistry","2015","13","10","3070","3085","10.1039/c4ob02283a","","","0.71073","MoKα","","0.0886","0.0606","","","0.1366","0.1507","","","","","","1.037","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154276","19.9112","0.0005","4.5568","0.0002","21.2328","0.0006","90","","97.948","0.002","90","","1907.97","0.11","294","2","294","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(S,E)-6-amino-8-(4-methoxystyryl)-8H-[1,3]dioxolo[4,5-g]chromene-7-carbonitrile","","- C20.5 H17 Cl N2 O4 -","- C20.5 H17 Cl N2 O4 -","- C82 H68 Cl4 N8 O16 -","4","2","","Adili, Alafate; Tao, Zhong-Lin; Chen, Dian-Feng; Han, Zhi-Yong","Quinine-catalyzed highly enantioselective cycloannulation of o-quinone methides with malononitrile.","Organic & biomolecular chemistry","2015","13","8","2247","2250","10.1039/c4ob02602k","","","1.54184","CuKα","","0.0562","0.0484","","","0.1371","0.1466","","","","","","1.054","","","","has coordinates","194155","2020-10-21","18:00:00",""
"7154277","11.4383","0.0013","11.6596","0.0015","9.4849","0.0012","90","","104.523","0.003","90","","1224.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 F O2 S -","- C14 H11 F O2 S -","- C56 H44 F4 O8 S4 -","4","1","","Malwal, Satish R.; Chakrapani, Harinath","Benzosulfones as photochemically activated sulfur dioxide (SO2) donors.","Organic & biomolecular chemistry","2015","13","8","2399","2406","10.1039/c4ob02466d","","","0.71073","MoKα","","0.0422","0.0341","","","0.0999","0.1042","","","","","","1.491","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154278","5.5351","0.0006","11.2034","0.0012","21.678","0.002","90","","90","","90","","1344.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 F N2 O6 -","- C12 H13 F N2 O6 -","- C48 H52 F4 N8 O24 -","4","1","","Kwiatkowski, Jacek; Lu, Yixin","Asymmetric Michael addition of α-fluoro-α-nitro esters to nitroolefins: towards synthesis of α-fluoro-α-substituted amino acids.","Organic & biomolecular chemistry","2015","13","8","2350","2359","10.1039/c4ob02486a","","","1.54178","CuKα","","0.0253","0.025","","","0.0655","0.0658","","","","","","1.094","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154279","8.1432","0.0016","15.506","0.003","19.315","0.004","90","","99.992","0.003","90","","2401.9","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N O4 -","- C29 H25 N O4 -","- C116 H100 N4 O16 -","4","1","","Nagaraju, Vemu; Purnachander, Dalovai; Mangina, N. S. V. M. Rao; Suresh, Surisetti; Sridhar, Balasubramanian; Karunakar, Galla V.","Reaction of β-enaminones and acetylene dicarboxylates: synthesis of substituted 1,2-dihydropyridinones.","Organic & biomolecular chemistry","2015","13","10","3011","3023","10.1039/c4ob01578a","","","0.71073","MoKα","","0.0865","0.0604","","","0.1685","0.1855","","","","","","1.051","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154280","15.749","0.002","15.991","0.002","16.15","0.003","61.74","0.02","63.39","0.02","62.81","0.03","3044.2","1.2","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C58 H52 Cl Fe N6 O6 -","- C58 H52 Cl Fe N6 O6 -","- C116 H104 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","0.71073","MoKα","","0.0607","0.044","","","0.1078","0.113","","","","","","0.946","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154281","12.29","0.0014","14.996","0.0016","16.269","0.002","98.514","0.008","106.348","0.01","99.374","0.009","2778.6","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H49 Cl7 Fe N6 O6 -","- C57 H49 Cl7 Fe N6 O6 -","- C114 H98 Cl14 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0821","0.0767","","","0.2156","0.2266","","","","","","1.063","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154282","14.527","0.0013","30.638","0.003","12.3382","0.001","90","","97.26","0.006","90","","5447.4","0.8","113","2","113","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H48 Cl Fe N6 O6 -","- C56 H48 Cl Fe N6 O6 -","- C224 H192 Cl4 Fe4 N24 O24 -","4","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0845","0.0762","","","0.2143","0.2285","","","","","","1.076","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154283","15.923","0.0014","16.738","0.0015","22.371","0.002","91.302","0.013","93.701","0.008","90.604","0.006","5947.9","0.9","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C57 H50 Cl Fe N6 O6 -","- C57 H50 Cl Fe N6 O6 -","- C228 H200 Cl4 Fe4 N24 O24 -","4","2","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.1038","0.0919","","","0.2547","0.2699","","","","","","1.026","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154284","14.0827","0.0012","16.3185","0.0017","16.6591","0.0018","62.671","0.012","75","0.02","71.377","0.019","3194.3","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C59 H54 Cl Fe N6 O6 -","- C59 H54 Cl Fe N6 O6 -","- C118 H108 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0864","0.0775","","","0.2092","0.2225","","","","","","0.999","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154285","15.2","0.0013","16.065","0.0015","16.305","0.0016","115.096","0.008","116.65","0.001","94.005","0.004","3051.7","0.6","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H56 Cl Fe N6 O6 -","- C60 H56 Cl Fe N6 O6 -","- C120 H112 Cl2 Fe2 N12 O12 -","2","1","","Liu, Qiuhua; Zhou, Xiaochun; Liu, Haomin; Zhang, Xi; Zhou, Zaichun","Fractional transfer of a free unpaired electron to overcome energy barriers in the formation of Fe(4+) from Fe(3+) during the core contraction of macrocycles: implication for heme distortion.","Organic & biomolecular chemistry","2015","13","10","2939","2946","10.1039/c4ob02429j","","","1.54187","CuKα","","0.0868","0.0804","","","0.2083","0.2204","","","","","","1.113","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154286","29.9748","0.0004","29.9748","0.0004","29.9748","0.0004","90","","90","","90","","26932","0.6","119.8","0.6","120","","","","","","","","","4","I 2 3","I 2 2 3","197","","gamma-cyclodextrin duplex","","- C48 H78 O86.066 S2 -","- C48 H78 O86.1087 S2 -","- C576 H936 O1033.3 S24 -","12","0.5","","Volkov, Sergey; Kumprecht, Lukáš; Buděšínský, Miloš; Lepšík, Martin; Dušek, Michal; Kraus, Tomáš","A γ-cyclodextrin duplex connected with two disulfide bonds: synthesis, structure and inclusion complexes.","Organic & biomolecular chemistry","2015","13","10","2980","2985","10.1039/c4ob02464h","","x-ray","1.54184","CuKα","","0.15","0.1089","","","0.2348","0.249","","","","3.34","3.34","2.77","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154287","9.5097","0.0004","10.4987","0.0004","19.3484","0.0007","90","","96.431","0.002","90","","1919.58","0.13","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 I N2 O2 -","- C22 H15 I N2 O2 -","- C88 H60 I4 N8 O8 -","4","1","","Bharathiraja, Ganesan; Sengoden, Mani; Kannan, Masanam; Punniyamurthy, Tharmalingam","Expedient synthesis of tetrasubstituted pyrroles via a copper-catalyzed cascade inter-/intramolecular cyclization of 1,3-enynes carry a nitro group with amines.","Organic & biomolecular chemistry","2015","13","9","2786","2792","10.1039/c4ob02508c","","","0.71073","MoKα","","0.0561","0.0378","","","0.1179","0.1328","","","","","","0.914","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154288","12.1483","0.0004","13.9559","0.0004","13.7585","0.0004","90","","90.921","0.002","90","","2332.32","0.12","130","2","130","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R*,5R*)-Dimethyl 3-(2-ethoxy-2-oxoethyl)-1-(4-methoxyphenyl)-5-phenylpyrrolidine-2,2-dicarboxylate","","- C25 H29 N O7 -","- C24.195 H26.235 N O6.77 -","- C96.78 H104.94 N4 O27.08 -","4","1","","Medvedev, J. J.; Galkina, O. S.; Klinkova, A. A.; Giera, D. S.; Hennig, L.; Schneider, C.; Nikolaev, V. A.","Domino [4 + 1]-annulation of α,β-unsaturated δ-amino esters with Rh(ii)-carbenoids - a new approach towards multi-functionalized N-aryl pyrrolidines.","Organic & biomolecular chemistry","2015","13","9","2640","2651","10.1039/c4ob02454k","","","0.71073","MoKα","","0.0812","0.0418","","","0.089","0.0964","","","","","","0.891","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154289","6.7186","0.0002","15.8096","0.0005","26.5176","0.0007","90","","90","","90","","2816.66","0.14","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H33 Br N4 O5 S -","- C27 H33 Br N4 O5 S -","- C108 H132 Br4 N16 O20 S4 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.1125","0.0698","","","0.1008","0.1124","","","","","","1.067","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154290","18.6244","0.0011","8.4267","0.0004","16.0611","0.0008","90","","93.118","0.005","90","","2516.9","0.2","297","2","297","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C21 H32 N4 O6 S2 -","- C21 H32 N4 O6 S2 -","- C84 H128 N16 O24 S8 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0474","0.043","","","0.1128","0.1171","","","","","","1.039","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154291","8.106","0.0012","10.5928","0.0016","14.983","0.002","90","","96.273","0.008","90","","1278.8","0.3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H27 Br N4 O6 S2 -","- C23 H27 Br N4 O6 S2 -","- C46 H54 Br2 N8 O12 S4 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0599","0.0355","","","0.0799","0.0875","","","","","","0.993","","","","has coordinates,has disorder","180328","2020-10-21","18:00:00",""
"7154292","9.5896","0.0002","14.7665","0.0003","14.7848","0.0003","90","","90","","90","","2093.6","0.07","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C68 H104 N16 O24 S8 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0363","0.0346","","","0.0895","0.0908","","","","","","1.082","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154293","7.7425","0.0004","10.0108","0.0006","13.8284","0.0008","90","","102.033","0.003","90","","1048.27","0.1","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H26 N4 O6 S2 -","- C17 H26 N4 O6 S2 -","- C34 H52 N8 O12 S4 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0364","0.0317","","","0.0785","0.0819","","","","","","1.027","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154294","9.2942","0.001","13.9119","0.0013","15.3096","0.0017","90","","90","","90","","1979.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 Br N3 O4 S -","- C19 H20 Br N3 O4 S -","- C76 H80 Br4 N12 O16 S4 -","4","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0868","0.0432","","","0.0801","0.0926","","","","","","0.988","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154295","7.1146","0.0003","8.0387","0.0003","15.0865","0.0006","90.323","0.002","100.054","0.002","109.252","0.002","800.21","0.06","297","2","297","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H20 N2 O5 S -","- C14 H20 N2 O5 S -","- C28 H40 N4 O10 S2 -","2","1","","Vijayadas, Kuruppanthara N.; Kotmale, Amol S.; Thorat, Shridhar H.; Gonnade, Rajesh G.; Nair, Roshna V.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Reversal of H-bonding direction by N-sulfonation in a synthetic reverse-turn peptide motif.","Organic & biomolecular chemistry","2015","13","10","3064","3069","10.1039/c4ob02438a","","","0.71073","MoKα","","0.0441","0.0386","","","0.1109","0.1169","","","","","","1.059","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154296","6.0244","0.0004","11.844","0.0009","13.27","0.0013","93.58","0.02","94.51","0.02","94.85","0.05","938.26","0.16","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H21 F O2 -","- C25 H21 F O2 -","- C50 H42 F2 O4 -","2","2","","da Silva, Daniel Leite; Silva Terra, Bruna; Ribeiro Lage, Mateus; Lúcia Tasca Góis Ruiz, Ana; Capeletti da Silva, Cameron; Ernesto de Carvalho, João; Walkimar de Mesquita Carneiro, José; Terra Martins, Felipe; Antonio Fernades, Sergio; de Fátima, Ângelo","Xanthenones: calixarenes-catalyzed syntheses, anticancer activity and QSAR studies.","Organic & biomolecular chemistry","2015","13","11","3280","3287","10.1039/c4ob02611j","","","0.71073","MoKα","","0.0916","0.0788","","","0.2235","0.2343","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7154297","10.1672","0.0017","6.8153","0.0014","22.813","0.005","90","","93.975","0.007","90","","1577","0.5","122","2","122","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N3 O6 -","- C15 H21 N3 O6 -","- C60 H84 N12 O24 -","4","1","","Ingemar Olsen, Jacob; Sauer, Stephan P. A.; Marcus Pedersen, Christian; Bols, Mikael","Exploring the relationship between the conformation and pKa: can a pKa value be used to determine the conformational equilibrium?","Organic & biomolecular chemistry","2015","13","10","3116","3121","10.1039/c4ob02630f","","","0.71073","MoKα","","0.0919","0.0461","","","0.0861","0.1019","","","","","","1.0504","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154298","6.1948","0.0003","10.9643","0.0005","11.253","0.0005","110.753","0.002","98.248","0.002","103.002","0.003","675.19","0.06","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C12 H15 Cl N2 O S -","- C12 H15 Cl N2 O S -","- C24 H30 Cl2 N4 O2 S2 -","2","1","","Brockmeyer, Fabian; Morosow, Valentin; Martens, Jürgen","A new multicomponent reaction: unexpected formation of derivatizable cyclic α-alkoxy isothioureas.","Organic & biomolecular chemistry","2015","13","11","3341","3346","10.1039/c4ob02608j","","","0.71073","MoKα","","0.0781","0.0508","","","0.1131","0.1253","","","","","","1.045","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154299","7.9458","0.0003","12.8313","0.0005","27.3563","0.0012","101.325","0.004","93.68","0.003","101.932","0.003","2659.71","0.19","132","2","132","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H48 B10 O -","- C20 H48 B10 O -","- C80 H192 B40 O4 -","4","2","","Boggio, Paolo; Toppino, Antonio; Geninatti Crich, Simonetta; Alberti, Diego; Marabello, Domenica; Medana, Claudio; Prandi, Cristina; Venturello, Paolo; Aime, Silvio; Deagostino, Annamaria","The hydroboration reaction as a key for a straightforward synthesis of new MRI-NCT agents.","Organic & biomolecular chemistry","2015","13","11","3288","3297","10.1039/c4ob02291b","","","1.5418","CuKα","","0.0778","0.0534","","","0.1322","0.149","","","","","","1.026","","","","has coordinates","180328","2020-10-21","18:00:00",""
"7154300","11.644","0.003","14.685","0.002","11.1346","0.0019","90","","91.878","0.012","90","","1902.9","0.6","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","3-(4-Chlorophenyl)-2-(2-hydroxybenzoyl)-4H-furo[3,2-c]chromen-4-one","4c","","- C24 H13 Cl O5 -","- C24 H13 Cl O5 -","- C96 H52 Cl4 O20 -","4","1","","Zhang, W. L.; Yue, S. N.; Shen, Y. M.; Hu, H. Y.; Meng, Q.-H.; Wu, H.; Liu, Y.","Copper(ii) bromide-catalyzed intramolecular decarboxylative functionalization to form a C(sp(3))-O bond for the synthesis of furo[3,2-c]coumarins.","Organic & biomolecular chemistry","2015","13","12","3602","3609","10.1039/c4ob02490g","","","0.71073","MoKα","","0.1312","0.0676","","","0.1595","0.211","","","","","","1.01","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154301","17.409","0.003","11.222","0.002","21.848","0.004","90","","90","","90","","4268.3","1.3","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","4-(2-(2-Hydroxy-5-methylbenzoyl)-8-methyl-4-oxo-4H-furo[3,2-c]chromen-3-yl)benzonitrile","5c","","- C27 H17 N O5 -","- C27 H17 N O5 -","- C216 H136 N8 O40 -","8","1","","Zhang, W. L.; Yue, S. N.; Shen, Y. M.; Hu, H. Y.; Meng, Q.-H.; Wu, H.; Liu, Y.","Copper(ii) bromide-catalyzed intramolecular decarboxylative functionalization to form a C(sp(3))-O bond for the synthesis of furo[3,2-c]coumarins.","Organic & biomolecular chemistry","2015","13","12","3602","3609","10.1039/c4ob02490g","","","0.71073","MoKα","","0.0732","0.0493","","","0.128","0.1485","","","","","","1.041","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154302","9.6625","0.0002","23.9818","0.0006","10.8059","0.0002","90","","115.753","0.0007","90","","2255.29","0.09","150","2","150","2","","","","","","","synthesized by the authors","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 Br N5 O -","- C26 H22 Br N5 O -","- C104 H88 Br4 N20 O4 -","4","1","","Kamlar, M.; Císařová, I; Veselý, J","Alkynylation of heterocyclic compounds using hypervalent iodine reagent.","Organic & biomolecular chemistry","2015","13","10","2884","2889","10.1039/c4ob02625j","","","0.71073","MoKα","","0.0701","0.0498","","","0.117","0.1257","","","","","","1.056","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154303","23.59","0.003","12.9016","0.0015","18.644","0.002","90","","98.267","0.002","90","","5615.3","1.1","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","2-(anthracen-9-yl)-1H-inden-3-yl dicyclohexylphosphine","","- C35 H37 P -","- C35 H37 P -","- C280 H296 P8 -","8","1","","Chen, You; Peng, Hui; Pi, Yun-Xiao; Meng, Tong; Lian, Ze-Yu; Yan, Meng-Qi; Liu, Yan; Liu, Sheng-Hua; Yu, Guang-Ao","Efficient phosphine ligands for the one-pot palladium-catalyzed borylation/Suzuki-Miyaura cross-coupling reaction.","Organic & biomolecular chemistry","2015","13","11","3236","3242","10.1039/c4ob02436b","","","0.71073","MoKα","","0.0681","0.047","","","0.1279","0.1494","","","","","","1.042","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154304","15.1668","0.0006","14.7772","0.0007","12.7612","0.0006","90","","90","","90","","2860.1","0.2","100","2","100","2","","","","","","","","5","P m n 21","P 2ac -2","31","","","","- C66 H70 N2 O4 S4 -","- C66 H70 N2 O4 S4 -","- C132 H140 N4 O8 S8 -","2","0.5","","Zhao, Jiang-Lin; Tomiyasu, Hirotsugu; Ni, Xin-Long; Zeng, Xi; Elsegood, Mark R. J.; Redshaw, Carl; Rahman, Shofiur; Georghiou, Paris E.; Teat, Simon J.; Yamato, Takehiko","The first study about the relationship between the extractability of thiacalix[4]arene derivatives and the position of the coordination binding sites.","Organic & biomolecular chemistry","2015","13","11","3476","3483","10.1039/c4ob02393e","","","0.6525","synchrotron","","0.0386","0.0371","","","0.0993","0.1012","","","","","","1.031","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154305","8.932","0.005","11.791","0.005","11.668","0.005","90","0.005","99.317","0.005","90","0.005","1212.6","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H8 Cl4 O2 -","- C11 H8 Cl4 O2 -","- C44 H32 Cl16 O8 -","4","1","","Nageswara Rao, Chintada; Ahmed Khan, Faiz","BF3-Et2O mediated skeletal rearrangements of norbornyl appended cyclopentanediols.","Organic & biomolecular chemistry","2015","13","9","2768","2775","10.1039/c4ob02423k","","","0.71069","MoKα","","0.0657","0.0321","","","0.0809","0.0853","","","","","","1.036","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154306","4.1231","0.0013","16.176","0.005","10.044","0.003","90","","94.086","0.007","90","","668.2","0.4","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 N2 O S -","- C16 H12 N2 O S -","- C32 H24 N4 O2 S2 -","2","1","","Qiu, Jing-Wen; Hu, Bo-Lun; Zhang, Xing-Guo; Tang, Ri-Yuan; Zhong, Ping; Li, Jin-Heng","Copper-catalyzed ring expansion of 2-aminobenzothiazoles with alkynyl carboxylic acids to 1,4-benzothiazines.","Organic & biomolecular chemistry","2015","13","10","3122","3127","10.1039/c4ob02467b","","","0.71073","MoKα","","0.0755","0.0746","","","0.1705","0.1711","","","","","","1.265","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154307","26.7092","0.0014","9.0357","0.0004","17.2708","0.0009","90","","90","","90","","4168.1","0.4","100","","100","","","","","","","","","5","P c c a","-P 2a 2ac","54","","","","- C53 H46 B2 N2 O3 -","- C53 H46 B2 N2 O3 -","- C212 H184 B8 N8 O12 -","4","0.5","","Wesela-Bauman, Grzegorz; Urban, Mateusz; Luliński, Sergiusz; Serwatowski, Janusz; Woźniak, Krzysztof","Tuning of the colour and chemical stability of model boranils: a strong effect of structural modifications.","Organic & biomolecular chemistry","2015","13","11","3268","3279","10.1039/c4ob02545h","","","0.71073","MoKα","","0.093","0.0685","","0.1695","0.149","0.1694","","","","","","0.9995","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154308","27.206","0.005","6.873","0.005","10.231","0.005","90","0.005","92.155","0.005","90","0.005","1911.7","1.7","296","2","296","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C21 H20 O7 -","- C21 H20 O7 -","- C84 H80 O28 -","4","1","","Vidyasagar, Adiyala; Sureshan, Kana M.","Total syntheses of five uvacalols: structural validation of uvacalol A, uvacalol B and uvacalol C and disproval of the structures of uvacalol E and uvacalol G.","Organic & biomolecular chemistry","2015","13","13","3900","3910","10.1039/c4ob02663b","","","0.71073","MoKα","","0.038","0.0326","","","0.0939","0.1254","","","","","","1.194","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154309","19.1472","0.0017","5.7177","0.0005","22.9157","0.0019","90","","98.01","0.005","90","","2484.3","0.4","150","2","150","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","4-Bromobenzoic acid 2-Ethoxycarbonyl-2-[3-methylene-1-(toluene-4-sulfonyl)-piperidin-4-yl]-ethyl ester","","- C25 H28 Br N O6 S -","- C25 H28 Br N O6 S -","- C100 H112 Br4 N4 O24 S4 -","4","1","","Pathak, Ravindra B.; Dobson, Benjamin C.; Ghosh, Nandita; Ageel, Khalid A.; Alshawish, Madeha R.; Saruengkhanphasit, Rungroj; Coldham, Iain","Synthesis of the tricyclic core of manzamine A.","Organic & biomolecular chemistry","2015","13","11","3331","3340","10.1039/c4ob02582b","","","0.71073","MoKα","","0.1169","0.044","","","0.0751","0.0951","","","","","","0.992","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154310","5.561","","6.229","","16.499","","90","","90","","90","","571.517","","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H4 N2 O3 -","- C4 H4 N2 O3 -","- C16 H16 N8 O12 -","4","0.5","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0948","0.0553","","","0.1257","0.1425","","","","","","0.907","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154311","14.054","0.001","11.4353","0.0006","21.489","0.001","90","","90","","90","","3453.5","0.3","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F4 N2 O P -","- C17 H13 F4 N2 O P -","- C136 H104 F32 N16 O8 P8 -","8","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0992","0.0612","","","0.1561","0.1785","","","","","","0.989","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154312","23.325","0.004","6.6111","0.0011","17.954","0.003","90","","98.023","0.015","90","","2741.5","0.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C13 H9 F4 N3 O2 -","- C13 H9 F4 N3 O2 -","- C104 H72 F32 N24 O16 -","8","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.1829","0.0614","","","0.1365","0.1769","","","","","","0.825","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154313","9.031","0.0009","22.7184","0.0015","5.5619","0.0004","90","","99.42","0.007","90","","1125.75","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H10 F4 N2 O2 -","- C9 H10 F4 N2 O2 -","- C36 H40 F16 N8 O8 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.1632","0.0545","","","0.1339","0.1713","","","","","","0.825","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154314","9.2697","0.0008","5.3382","0.0005","10.8156","0.0008","90","","96.537","0.007","90","","531.71","0.08","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C4 H5 F2 N O2 -","- C4 H5 F2 N O2 -","- C16 H20 F8 N4 O8 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.068","0.0496","","","0.1336","0.1524","","","","","","1.011","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154315","5.7282","0.0006","7.9911","0.0008","23.674","0.003","90","","92.336","0.01","90","","1082.8","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H9 N O4 -","- C12 H9 N O4 -","- C48 H36 N4 O16 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.111","0.0829","","","0.2092","0.2286","","","","","","1.037","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154316","6.464","0.0004","20.721","0.003","5.7018","0.0006","90","","97.017","0.007","90","","757.98","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C7 H7 N O5 -","- C7 H7 N O5 -","- C28 H28 N4 O20 -","4","1","","Mykhailiuk, Pavel K.","Three-component synthesis of fluorinated pyrazoles from fluoroalkylamines, NaNO2 and electron-deficient alkynes.","Organic & biomolecular chemistry","2015","13","11","3438","3445","10.1039/c4ob02670e","","","0.71073","MoKα","","0.0487","0.0353","","","0.0838","0.0897","","","","","","1.009","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154317","10.567","0.0007","20.0282","0.0012","6.842","0.0005","90","","95.652","0.002","90","","1440.99","0.17","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-Fluoro-6-methylindolo[1,2-<i>f</i>]phenanthridine","","- C21 H14 F N -","- C21 H14 F N -","- C84 H56 F4 N4 -","4","1","","Ngo, Thang Ngoc; Ehlers, Peter; Dang, Tuan Thanh; Villinger, Alexander; Langer, Peter","Synthesis of indolo[1,2-f]phenanthridines by Pd-catalyzed domino C-N coupling/hydroamination/C-H arylation reactions.","Organic & biomolecular chemistry","2015","13","11","3321","3330","10.1039/c5ob00013k","","","0.71073","MoKα","","0.0674","0.0518","","","0.1216","0.1292","","","","","","1.095","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154318","12.04","0.004","11.834","0.003","17.361","0.005","90","","105.585","0.005","90","","2382.7","1.2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H24 F6 N2 O2 -","- C27 H24 F6 N2 O2 -","- C108 H96 F24 N8 O8 -","4","1","","Cheng, Hong-Bo; Huang, Yao-Dong; Zhao, Lina; Li, Xu; Wu, Hai-Chen","A prominent bathochromic shift effect of indole-containing diarylethene derivatives.","Organic & biomolecular chemistry","2015","13","11","3470","3475","10.1039/c4ob02619e","","","0.71073","MoKα","","0.0468","0.0384","","","0.096","0.1008","","","","","","1.062","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154319","11.085","0.003","11.91","0.003","15.798","0.004","90","","103.025","0.018","90","","2032","0.9","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","20120034","","","- C42 H39 Br N3 O3 S -","- C42 H39 Br N3 O6 S -","- C84 H78 Br2 N6 O12 S2 -","2","1","","Chen, Jian-Ping; Chen, Wen-Wen; Li, Yi; Xu, Ming-Hua","A highly diastereoselective Friedel-Crafts reaction of indoles with isatin-derived N-sulfinyl ketimines towards the efficient synthesis of chiral tetrasubstituted 3-indolyl-3-aminooxindoles.","Organic & biomolecular chemistry","2015","13","11","3363","3370","10.1039/c5ob00063g","","","0.71073","MoKα","","0.1925","0.0992","","","0.2484","0.333","","","","","","0.956","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154320","8.0644","0.0006","11.5331","0.001","8.2552","0.0008","90","","95.154","0.005","90","","764.69","0.11","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H16 Br N O4 S -","- C14 H16 Br N O4 S -","- C28 H32 Br2 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0264","0.026","","","0.0656","0.0659","","","","","","1.166","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154321","8.079","0.002","11.113","0.003","18.417","0.005","90","","90","","90","","1653.5","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 Br N4 O4 S -","- C14 H15 Br N4 O4 S -","- C56 H60 Br4 N16 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.024","0.0235","","","0.0567","0.0569","","","","","","1.091","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154322","8.1106","0.0016","15.869","0.003","13.458","0.003","90","","105.33","0.03","90","","1670.5","0.6","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C60 H72 Br4 N4 O16 S4 -","4","2","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0536","0.0481","","","0.0998","0.1043","","","","","","1.1","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154323","10.9","0.002","17.232","0.003","8.4931","0.0016","90","","90","","90","","1595.2","0.5","173.15","","173.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C15 H18 Br N O4 S -","- C15 H18 Br N O4 S -","- C60 H72 Br4 N4 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0296","0.0288","","","0.0716","0.0722","","","","","","1.089","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154324","7.714","0.002","8.924","0.003","11.423","0.003","76.922","0.012","75.224","0.012","74.066","0.012","720.7","0.4","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 N O4 S -","- C13 H19 N O4 S -","- C26 H38 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0472","0.0454","","","0.1185","0.1198","","","","","","1.161","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154325","10.036","0.002","7.3432","0.0015","10.826","0.002","90","","111.23","0.03","90","","743.7","0.3","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H21 N O4 S -","- C13 H21 N O4 S -","- C26 H42 N2 O8 S2 -","2","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0278","0.0274","","","0.0668","0.0671","","","","","","1.076","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154326","5.6597","0.0012","15.69","0.003","24.567","0.005","90","","90","","90","","2181.6","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 Br N O5 S2 -","- C20 H24 Br N O5 S2 -","- C80 H96 Br4 N4 O20 S8 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0546","0.0474","","","0.078","0.0809","","","","","","1.104","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154327","8.116","0.002","14.954","0.005","13.474","0.004","90","","92.642","0.003","90","","1633.6","0.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H19 N O5 S -","- C15 H19 N O5 S -","- C60 H76 N4 O20 S4 -","4","2","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0339","0.0324","","","0.0726","0.0735","","","","","","1.065","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154328","7.963","0.002","11.336","0.003","20.402","0.005","90","","90","","90","","1841.7","0.8","173.15","","173.15","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Br N O4 S -","- C19 H18 Br N O4 S -","- C76 H72 Br4 N4 O16 S4 -","4","1","","Huang, Hu; Pan, Hongjie; Cai, Yudong; Liu, Mao; Tian, Hua; Shi, Yian","Enantioselective 6-endo bromoaminocyclization of 2,4-dienyl N-tosylcarbamates catalyzed by a chiral phosphine oxide-Sc(OTf)3 complex. A dramatic additive effect.","Organic & biomolecular chemistry","2015","13","12","3566","3570","10.1039/c5ob00001g","","","0.71073","MoKα","","0.0326","0.0308","","","0.0611","0.062","","","","","","1.123","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154329","34.802","0.002","8.7586","0.0005","22.5029","0.0016","90","","120.418","0.009","90","","5915.1","0.8","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C64 H81 N3 O12 -","- C64 H81 N3 O12 -","- C256 H324 N12 O48 -","4","1","","Ear, Alexandre; Amand, Séverine; Blanchard, Florent; Blond, Alain; Dubost, Lionel; Buisson, Didier; Nay, Bastien","Direct biosynthetic cyclization of a distorted paracyclophane highlighted by double isotopic labelling of l-tyrosine.","Organic & biomolecular chemistry","2015","13","12","3662","3666","10.1039/c5ob00114e","","","1.54187","CuKα","","0.0927","0.0658","","","0.1511","0.1897","","","","","","1.026","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154330","14.222","0.005","8.925","0.005","25.35","0.005","90","0.005","90","0.005","90","0.005","3218","2","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H14 F3 N3 S -","- C17 H14 F3 N3 S -","- C136 H112 F24 N24 S8 -","8","1","","Zhu, Jiayi; Chen, Yu; Lin, Feng; Wang, Baoshuang; Chen, Zhengwang; Liu, Liangxian","NiSO4-catalyzed C-H activation/C-S cross-coupling of 1,2,3-triazole N-oxides with thiols.","Organic & biomolecular chemistry","2015","13","12","3711","3720","10.1039/c4ob02586e","","","0.71069","MoKα","","0.0677","0.0444","","","0.1188","0.1327","","","","","","1.055","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154331","6.68948","0.00007","14.04389","0.00015","7.22458","0.00009","90","","93.875","0.0011","90","","677.171","0.013","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","azepinomycin","","- C6 H8 N4 O2 -","- C6 H8 N4 O2 -","- C24 H32 N16 O8 -","4","1","","Coggins, Adam J.; Tocher, Derek A.; Powner, Matthew W.","One-step protecting-group-free synthesis of azepinomycin in water.","Organic & biomolecular chemistry","2015","13","11","3378","3381","10.1039/c5ob00210a","","","1.5418","CuKα","","0.0389","0.0383","","","0.1004","0.1007","","","","","","1.088","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154332","10.9506","0.0005","19.9674","0.0009","15.2675","0.0009","90","","110.711","0.002","90","","3122.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H14 B F19 N2 -","- C33 H14 B F19 N2 -","- C132 H56 B4 F76 N8 -","4","1","","Lempke, Linda; Fischer, Tobias; Bell, Jérémy; Kraus, Werner; Rurack, Knut; Krause, Norbert","Gold-catalyzed allene cycloisomerization for pyrrole synthesis: towards highly fluorinated BODIPY dyes.","Organic & biomolecular chemistry","2015","13","12","3787","3791","10.1039/c4ob02671c","","","0.71073","MoKα","","0.0719","0.0605","","","0.1506","0.1592","","","","","","1.045","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154333","7.3337","0.0012","9.9719","0.0016","10.128","0.0016","93.269","0.005","99.21","0.005","110.524","0.004","679.57","0.19","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H16 B F13 N2 -","- C31 H16 B F13 N2 -","- C31 H16 B F13 N2 -","1","1","","Lempke, Linda; Fischer, Tobias; Bell, Jérémy; Kraus, Werner; Rurack, Knut; Krause, Norbert","Gold-catalyzed allene cycloisomerization for pyrrole synthesis: towards highly fluorinated BODIPY dyes.","Organic & biomolecular chemistry","2015","13","12","3787","3791","10.1039/c4ob02671c","","","0.71073","MoKα","","0.0646","0.0637","","","0.1738","0.1747","","","","","","1.095","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154334","11.7456","0.0002","13.5528","0.0003","13.0646","0.0009","90","","90","","90","","2079.7","0.15","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 Br N3 O -","- C26 H18 Br N3 O -","- C104 H72 Br4 N12 O4 -","4","1","","Fang, Fang; Hua, Genghong; Shi, Feng; Li, Pengfei","Organocatalytic enantioselective Friedel-Crafts reaction: an efficient access to chiral isoindolo-β-carboline derivatives.","Organic & biomolecular chemistry","2015","13","15","4395","4398","10.1039/c5ob00175g","","","1.54187","CuKα","","0.0421","0.0362","","","0.0882","0.0967","","","","","","1.125","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154335","5.414","0.006","20.283","0.019","18.171","0.017","90","","92.881","0.019","90","","1993","3","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H20 Br N O4 -","- C22 H20 Br N O4 -","- C88 H80 Br4 N4 O16 -","4","1","","Jose, Anu; Jayakrishnan, A. J.; Seetha Lakshmi, K. C.; Varughese, Sunil; Nair, Vijay","Phosphine-mediated reaction of 3-methyl allenoate and isatins: a protocol for the synthesis of spirofuran oxindoles.","Organic & biomolecular chemistry","2015","13","12","3589","3592","10.1039/c5ob00123d","","","0.71073","MoKα","","0.0848","0.0685","","","0.1854","0.2142","","","","","","1.051","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154336","20.0272","0.0004","10.57393","0.00019","10.07746","0.00017","90","","90","","90","","2134.07","0.07","150","2","150","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","4-cis-trifluoromethylproline N-acetyl methyl ester","methyl (2S,4S)-1-acetyl-4-(trifluoromethyl)pyrrolidine-2-carboxylate","","- C9 H12 F3 N O3 -","- C9 H12 F3 N O3 -","- C72 H96 F24 N8 O24 -","8","1","","Kubyshkin, Vladimir; Afonin, Sergii; Kara, Sezgin; Budisa, Nediljko; Mykhailiuk, Pavel K.; Ulrich, Anne S.","γ-(S)-Trifluoromethyl proline: evaluation as a structural substitute of proline for solid state (19)F-NMR peptide studies.","Organic & biomolecular chemistry","2015","13","11","3171","3181","10.1039/c5ob00034c","","x-ray","1.54184","CuKα","","0.0379","0.0341","","","0.0864","0.0895","","","","","","1.043","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154337","3.8783","0.0005","11.1617","0.0014","15.3358","0.0019","78.727","0.002","85.961","0.002","86.336","0.002","648.58","0.14","150","2","150","2","","","","","","","Synthesis","4","P -1","-P 1","2","","ethyl 2-phenylpyrazolo[1,5-a]pyridine-3-carboxylate","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C32 H28 N4 O4 -","2","1","","Mohan, Darapaneni Chandra; Ravi, Chitrakar; Rao, Sadu Nageswara; Adimurthy, Subbarayappa","Copper-mediated synthesis of pyrazolo[1,5-a]pyridines through oxidative linkage of C-C/N-N bonds.","Organic & biomolecular chemistry","2015","13","12","3556","3560","10.1039/c5ob00018a","","","0.71073","MoKα","","0.0597","0.0545","","","0.1075","0.1098","","","","","","1.183","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154338","9.8145","0.0008","10.0842","0.0006","11.3461","0.0007","97.195","0.005","91.225","0.006","113.239","0.007","1020.62","0.13","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","3-(Hexylamino)-8-(4-methoxyphenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C22 H26 B F2 N3 O -","- C22 H26 B F2 N3 O -","- C44 H52 B2 F4 N6 O2 -","2","1","","Knight, Julian G.; Alnoman, Rua B.; Waddell, Paul G.","Synthesis of 3-aminoBODIPY dyes via copper-catalyzed vicarious nucleophilic substitution of 2-halogeno derivatives.","Organic & biomolecular chemistry","2015","13","12","3819","3829","10.1039/c4ob02626h","","","0.71073","MoKα","","0.0902","0.0504","","","0.0951","0.1157","","","","","","1.033","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154339","15.3219","0.0004","17.3301","0.0004","17.5462","0.0005","90","","110.858","0.003","90","","4353.7","0.2","150.01","0.1","150.01","0.1","","","","","","","","7","P 1 21 1","P 2yb","4","","3-(Hexylamino)-6-iodo-8-(4-methoxyphenyl)-4,4-difluoro-4-bora-3a,4a-diaza-s-indacene","","- C22 H25 B F2 I N3 O -","- C22 H25 B F2 I N3 O -","- C176 H200 B8 F16 I8 N24 O8 -","8","4","","Knight, Julian G.; Alnoman, Rua B.; Waddell, Paul G.","Synthesis of 3-aminoBODIPY dyes via copper-catalyzed vicarious nucleophilic substitution of 2-halogeno derivatives.","Organic & biomolecular chemistry","2015","13","12","3819","3829","10.1039/c4ob02626h","","","0.71073","MoKα","","0.0483","0.0323","","","0.0602","0.0674","","","","","","1.057","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154340","10.2882","0.0001","10.0834","0.0001","17.6278","0.0002","90","","100.173","0.0004","90","","1799.96","0.03","125","2","125","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(cyclohexylidenemethyl)-3,3-diphenyldihydrofuran-2(3H)-one","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","1","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","1.54178","CuKα","","0.0349","0.0345","","","0.0841","0.0844","","","","","","1.043","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154341","7.1469","0.0005","15.303","0.001","16.4534","0.001","73.124","0.001","89.797","0.001","88.864","0.001","1721.7","0.2","125","2","125","2","","","","","","","","3","P -1","-P 1","2","","1-cyclohexyl-4-phenyl-1,2,3,4-tetrahydro-1,4-(epoxymethano)naphthalen-9-one","","- C23 H24 O2 -","- C23 H24 O2 -","- C92 H96 O8 -","4","2","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","0.71073","MoKα","","0.1345","0.0626","","","0.1199","0.16","","","","","","1.037","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154342","9.7954","0.0004","9.8427","0.0004","11.0909","0.0005","78.548","0.002","77.234","0.002","64.389","0.003","933.94","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2-methoxy-4-phenyl-4,5,5a,6,6a,7,8,9,10,10a-decahydroacephenanthrylene- 4-carboxylic acid","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Handa, Sachin; Subramanium, Sri S.; Ruch, Aaron A.; Tanski, Joseph M.; Slaughter, LeGrande M","Ligand- and Brønsted acid/base-switchable reaction pathways in gold(i)-catalyzed cycloisomerizations of allenoic acids.","Organic & biomolecular chemistry","2015","13","13","3936","3949","10.1039/c4ob02640c","","x-ray","0.71073","MoKα","","0.0472","0.0431","","","0.1193","0.1243","","","","","","0.993","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7154343","6.021","0.002","16.358","0.006","16.457","0.006","90","","96.874","0.004","90","","1609.2","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C76 H52 Cl4 N8 O8 -","4","1","","Hou, Lekai; Chen, Xiangxiang; Li, Shuang; Cai, Suxian; Zhao, Yanxia; Sun, Meng; Yang, Xiao-Juan","Palladium-catalyzed regio-selective oxidative C-H bond acylation of azoxybenzenes with alcohols.","Organic & biomolecular chemistry","2015","13","14","4160","4164","10.1039/c5ob00089k","","","0.71073","MoKα","","0.0797","0.0532","","","0.1464","0.1676","","","","","","1.074","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154344","22.3006","0.0018","22.3364","0.0018","36.666","0.003","91.732","0.001","92.554","0.001","111.906","0.001","16907","2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","Na2[CB@ac](ac).16H2O","","- C62 H74 N12 Na4 O40 S4 -","- C61.9999 H73.9998 N12 Na3.97775 O39.9022 S4 -","- C495.999 H591.999 N96 Na31.822 O319.218 S32 -","8","4","","Gilberg, Laura; Zhang, Ben; Zavalij, Peter Y.; Sindelar, Vladimir; Isaacs, Lyle","Acyclic cucurbit[n]uril-type molecular containers: influence of glycoluril oligomer length on their function as solubilizing agents.","Organic & biomolecular chemistry","2015","13","13","4041","4050","10.1039/c5ob00184f","","","0.71073","MoKα","","0.1519","0.1228","","","0.2293","0.2422","","","","","","1.386","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154345","10.903","0.004","8.978","0.003","13.171","0.005","90","","108.452","0.012","90","","1223","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","tert-Butyl-1-allyl-3-(2,5-dioxo-1-phenyl-2,5-dihydro-1H-pyrrol-3-yl)-2-oxoindolin-3-ylcarbamate","","- C25 H25 N3 O5 -","- C25 H25 N3 O5 -","- C50 H50 N6 O10 -","2","1","","Kumar, Akshay; Sharma, Vivek; Kaur, Jasneet; Kumar, Naveen; Chimni, Swapandeep Singh","Maleimide as an efficient nucleophilic partner in the aza-Morita-Baylis-Hillman reaction: synthesis of chiral 3-substituted-3-aminooxindoles.","Organic & biomolecular chemistry","2015","13","20","5629","5635","10.1039/c5ob00182j","","","0.71073","MoKα","","0.1339","0.0702","","","0.167","0.2062","","","","","","0.973","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154346","9.4408","0.0017","25.506","0.005","8.066","0.0015","90","","95.641","0.004","90","","1932.9","0.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 N2 -","- C25 H22 N2 -","- C100 H88 N8 -","4","1","","Xiang, Jiachen; Wang, Jungang; Wang, Miao; Meng, Xianggao; Wu, Anxin","One-pot total synthesis of streptindole, arsindoline B and their congeners through tandem decarboxylative deaminative dual-coupling reaction of amino acids with indoles.","Organic & biomolecular chemistry","2015","13","14","4240","4247","10.1039/c5ob00025d","","","0.71073","MoKα","","0.0871","0.0476","","","0.1148","0.1367","","","","","","1.014","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154347","28.938","0.006","11.193","0.002","16.37","0.003","90","","108.12","0.03","90","","5039.3","1.9","173","","299","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 N3 O3 -","- C29 H31 N3 O3 -","- C232 H248 N24 O24 -","8","1","","Chen, Yunyun; Feng, Gaofeng","Visible light mediated sp(3) C-H bond functionalization of N-aryl-1,2,3,4-tetrahydroisoquinolines via Ugi-type three-component reaction.","Organic & biomolecular chemistry","2015","13","14","4260","4265","10.1039/c5ob00201j","","","0.71073","MoKα","","0.0838","0.0557","","","0.1347","0.1556","","","","","","1.083","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154348","14.183","0.003","11.422","0.002","17.031","0.003","90","","111.93","0.03","90","","2559.4","1","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O5 -","- C30 H31 N3 O5 -","- C120 H124 N12 O20 -","4","1","","Chen, Yunyun; Feng, Gaofeng","Visible light mediated sp(3) C-H bond functionalization of N-aryl-1,2,3,4-tetrahydroisoquinolines via Ugi-type three-component reaction.","Organic & biomolecular chemistry","2015","13","14","4260","4265","10.1039/c5ob00201j","","","0.71073","MoKα","","0.1549","0.0972","","","0.2368","0.3344","","","","","","1.118","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154349","12.5161","0.001","14.0082","0.0011","27.051","0.002","90","","90","","90","","4742.8","0.6","120","","120","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H9 F3 N2 O3 -","- C12 H9 F3 N2 O3 -","- C192 H144 F48 N32 O48 -","16","2","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0778","0.0665","","","0.1543","0.1646","","","","","","1.209","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154350","6.7929","0.0001","9.5186","0.0002","10.322","0.0002","102.643","0.003","91.759","0.003","104.107","0.003","629.09","0.02","120","2","120","","","","","","","","","6","P -1","-P 1","2","","","","- C12 H8 Br F3 N2 O3 -","- C12 H8 Br F3 N2 O3 -","- C24 H16 Br2 F6 N4 O6 -","2","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0528","0.0507","","","0.1256","0.1275","","","","","","1.101","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154351","14.7611","0.0003","4.6408","0.0003","17.1279","0.0003","90","","90.424","0.002","90","","1173.29","0.08","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 I N3 O4 -","- C10 H8 I N3 O4 -","- C40 H32 I4 N12 O16 -","4","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.0384","0.032","","","0.0742","0.0774","","","","","","1.036","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154352","6.3391","0.0012","7.7064","0.0015","12.819","0.002","93.164","0.006","102.778","0.006","113.261","0.006","553.93","0.18","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 Cl N3 O4 -","- C10 H8 Cl N3 O4 -","- C20 H16 Cl2 N6 O8 -","2","1","","Baumann, Marcus; Rodriguez Garcia, Antonio M.; Baxendale, Ian R.","Flow synthesis of ethyl isocyanoacetate enabling the telescoped synthesis of 1,2,4-triazoles and pyrrolo-[1,2-c]pyrimidines.","Organic & biomolecular chemistry","2015","13","14","4231","4239","10.1039/c5ob00245a","","x-ray","0.71073","MoKα","","0.1213","0.0889","","","0.2074","0.2298","","","","","","1.024","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154353","10.5513","0.0006","13.4479","0.0007","21.737","0.0012","90","","90","","90","","3084.3","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1S,3R,4R,4'S,5'S)-tert-butyl 4',5'-diphenyl-3-(phenylsulfonyl)-3,4-dihydro-1H-spiro[1,4-epiminonaphthalene-2,2'-[1,3]dioxolane]-9-carboxylate","","- C35 H33 N O6 S -","- C35 H33 N O6 S -","- C140 H132 N4 O24 S4 -","4","1","","Pandey, Ganesh; Varkhedkar, Rajesh; Tiwari, Divya","Efficient access to enantiopure 1,3-disubstituted isoindolines from selective catalytic fragmentation of an original desymmetrized rigid overbred template.","Organic & biomolecular chemistry","2015","13","15","4438","4448","10.1039/c5ob00229j","","","0.71073","MoKα","","0.0743","0.0485","","","0.083","0.0916","","","","","","1.035","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154354","13.228","0.005","9.602","0.003","17.978","0.006","90","","97.418","0.007","90","","2264.4","1.3","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N3 O6 -","- C25 H27 N3 O6 -","- C100 H108 N12 O24 -","4","1","","Yang, Changjiang; Li, Juanjuan; Zhou, Rong; Chen, Xiangyu; Gao, Yunpeng; He, Zhengjie","Facile synthesis of spirooxindole-pyrazolines and spirobenzofuranone-pyrazolines and their fungicidal activity.","Organic & biomolecular chemistry","2015","13","17","4869","4878","10.1039/c5ob00258c","","","0.71073","MoKα","","0.054","0.038","","","0.0781","0.0833","","","","","","0.981","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154355","8.8803","0.0018","11.094","0.002","11.201","0.002","79.42","0.03","79.41","0.03","77.65","0.03","1047.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H22 N4 O4 -","- C23 H22 N4 O4 -","- C46 H44 N8 O8 -","2","1","","Yang, Changjiang; Li, Juanjuan; Zhou, Rong; Chen, Xiangyu; Gao, Yunpeng; He, Zhengjie","Facile synthesis of spirooxindole-pyrazolines and spirobenzofuranone-pyrazolines and their fungicidal activity.","Organic & biomolecular chemistry","2015","13","17","4869","4878","10.1039/c5ob00258c","","","0.71073","MoKα","","0.0889","0.0476","","","0.1089","0.127","","","","","","0.997","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154356","15.5903","0.0004","18.0794","0.0005","25.8875","0.0008","90","","90","","90","","7296.7","0.4","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","MACROCYCLE STRUCTURE 26","","","- C69 H74 N12 O7 -","- C69 H74 N12 O7 -","- C276 H296 N48 O28 -","4","1","","Chavez-Acevedo, Lizbeth; Miranda, Luis D.","Synthesis of novel tryptamine-based macrocycles using an Ugi 4-CR/microwave assisted click-cycloaddition reaction protocol.","Organic & biomolecular chemistry","2015","13","15","4408","4412","10.1039/c5ob00067j","","","0.71073","MoKα","","0.1778","0.0757","","","0.1597","0.2051","","","","","","0.964","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154357","9.8957","0.0003","23.4982","0.0007","8.5844","0.0003","90","","103.811","0.002","90","","1938.43","0.11","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","5-(4-(<i>tert</i>-Butyl)phenyl)-10-methyl-5,10-dihydroindolo[3,2-b]indole","","- C25 H24 N2 -","- C25 H24 N2 -","- C100 H96 N8 -","4","1","","Hung, Tran Quang; Hancker, Sören; Villinger, Alexander; Lochbrunner, Stefan; Dang, Tuan Thanh; Friedrich, Aleksej; Breitsprecher, Wolfgang; Langer, Peter","Novel synthesis of 5-methyl-5,10-dihydroindolo[3,2-b]indoles by Pd-catalyzed C-C and two-fold C-N coupling reactions.","Organic & biomolecular chemistry","2015","13","2","583","591","10.1039/c4ob01723d","","","0.71073","MoKα","","0.0971","0.0507","","","0.1115","0.1326","","","","","","1.027","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154358","18.304","0.005","4.5035","0.0012","21.714","0.006","90","","95.318","0.003","90","","1782.2","0.8","163","2","163","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 I O5 -","- C19 H19 I O5 -","- C76 H76 I4 O20 -","4","1","","Xu, Di; Dai, Li; Catellani, Marta; Motti, Elena; Della Ca', Nicola; Zhou, Zhiming","A novel enantioselective synthesis of 6H-dibenzopyran derivatives by combined palladium/norbornene and cinchona alkaloid catalysis.","Organic & biomolecular chemistry","2015","13","8","2260","2263","10.1039/c4ob02551b","","","0.71073","MoKα","","0.0506","0.0393","","","0.1136","0.1261","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7154359","15.139","0.003","10.0225","0.0018","30.107","0.006","90","","103.866","0.003","90","","4435","1.5","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 Br N2 O3 -","- C24 H25 Br N2 O3 -","- C192 H200 Br8 N16 O24 -","8","2","","Anderson, James C.; Campbell, Ian B.; Campos, Sebastien; Shannon, Jonathan; Tocher, Derek A.","Stereoselective synthesis of 1,2-diamine containing indolines by a conjugate addition nitro-Mannich reaction.","Organic & biomolecular chemistry","2015","13","1","170","177","10.1039/c4ob01793e","","","0.71073","MoKα","","0.0504","0.0358","","","0.0953","0.1023","","","","","","0.971","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154360","21.4489","0.0015","15.1178","0.0015","14.8599","0.0012","90","","120.899","0.004","90","","4134.6","0.6","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H23 Cl O5 S -","- C23 H23 Cl O5 S -","- C184 H184 Cl8 O40 S8 -","8","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0614","0.0383","","","0.0819","0.0898","","","","","","1.018","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154361","7.3355","0.0003","27.2184","0.0011","12.3978","0.0005","90","","106.559","0.0011","90","","2372.69","0.17","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O5 S -","- C29 H28 O5 S -","- C116 H112 O20 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0421","0.0352","","","0.0887","0.0932","","","","","","1.016","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154362","9.7206","0.0004","14.2444","0.0005","15.3744","0.0005","95.035","0.0014","95.523","0.0015","96.46","0.0015","2094.98","0.13","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H26 O5 S -","- C24 H26 O5 S -","- C96 H104 O20 S4 -","4","2","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0609","0.0402","","","0.091","0.1013","","","","","","1.014","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154363","10.6137","0.001","15.5004","0.0014","13.2501","0.0012","90","","92.946","0.003","90","","2177","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 O7 S -","- C25 H26 O7 S -","- C100 H104 O28 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0476","0.0348","","","0.0816","0.0884","","","","","","1.023","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154364","9.0583","0.0006","29.646","0.002","8.5818","0.0006","90","","106.748","0.002","90","","2206.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 O5 S -","- C26 H28 O5 S -","- C104 H112 O20 S4 -","4","1","","Brant, Michael G.; Friedmann, Jordan N.; Bohlken, Connor G.; Oliver, Allen G.; Wulff, Jeremy E.","Diastereoselective tandem reactions of substituted 3-sulfolenes with bis-vinyl ketones leading to highly functionalized bicyclic and tricyclic frameworks.","Organic & biomolecular chemistry","2015","13","15","4581","4588","10.1039/c5ob00387c","","","0.71073","MoKα","","0.0485","0.0374","","","0.0901","0.0957","","","","","","1.019","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154365","7.053","0.004","7.478","0.004","24.426","0.014","90","","89.526","0.015","90","","1288.2","1.2","293.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C12 H14 Br N O3 -","- C12 Br N O3 -","- C48 Br4 N4 O12 -","4","2","","Zhu, Yadong; Qian, Pengfei; Yang, Jiyang; Chen, Shaohua; Hu, Yanwei; Wu, Ping; Wang, Wei; Zhang, Wei; Zhang, Shilei","Organocatalytic enantioselective Michael addition of cyclic hemiacetals to nitroolefins: a facile access to chiral substituted 5- and 6-membered cyclic ethers.","Organic & biomolecular chemistry","2015","13","16","4769","4775","10.1039/c5ob00202h","","","0.7107","MoKα","","","0.0917","","","","0.0928","","","","","","8.877","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7154366","5.834","0.016","12.53","0.04","19.7","0.05","87.16","0.04","86.36","0.04","88.79","0.04","1435","7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C68 H56 N8 O8 -","4","2","","Ding, Zhengwei; Tan, Qitao; Gao, Mingchun; Xu, Bin","Copper-catalyzed aerobic cascade cycloamination and acyloxylation: a direct approach to 4-acyloxy-1H-pyrazoles.","Organic & biomolecular chemistry","2015","13","16","4642","4646","10.1039/c5ob00409h","","","0.71073","MoKα","","0.1325","0.0873","","","0.2588","0.3065","","","","","","1.087","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154367","9.106","0.003","9.532","0.003","20.806","0.001","90","","99.034","0.012","90","","1783.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 H21 N O4 -","- C20 H21 N O4 -","- C80 H84 N4 O16 -","4","1","","Li, Gang; Li, Li; Huang, Haihong; Yin, Dali","Ti(iv)-catalyzed cascade synthesis of tetrahydrofuro[3,2-d]oxazole from arene-1,4-diones.","Organic & biomolecular chemistry","2015","13","15","4418","4421","10.1039/c5ob00174a","","","1.54178","CuKα","","0.0518","0.0471","","","0.1431","0.1491","","","","","","1.102","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154368","8.8905","0.0005","11.0671","0.0005","11.5086","0.0006","89.95","0.002","75.602","0.002","72.86","0.002","1044.87","0.09","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 O6 -","- C23 H22 O6 -","- C46 H44 O12 -","2","1","","Guo, Shengmei; Lu, Lin; Gong, Jiuhan; Zhu, Zheng; Xu, Feng; Wei, Zhenhong; Cai, Hu","Copper-mediated tandem reaction of β-ketoesters/ketones with tertiary amines for the synthesis of 2,3-dihydrofurans.","Organic & biomolecular chemistry","2015","13","15","4426","4429","10.1039/c5ob00191a","","","0.71073","MoKα","","0.0578","0.0504","","","0.1406","0.1491","","","","","","1.032","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154369","13.568","0.015","7.443","0.007","19.72","0.02","90","","105.441","0.009","90","","1920","3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H55 Cl N6 O11 -","- C34 H55 Cl N6 O11 -","- C68 H110 Cl2 N12 O22 -","2","1","","Aillard, Boris; Kilburn, Jeremy D.; Blaydes, Jeremy P.; Tizzard, Graham J.; Findlow, Stuart; Werner, Jörn M; Bloodworth, Sally","Synthesis and evaluation of a (3R,6S,9S)-2-oxo-1-azabicyclo[4.3.0]nonane scaffold as a mimic of Xaa-trans-Pro in poly-l-proline type II helix conformation.","Organic & biomolecular chemistry","2015","13","15","4562","4569","10.1039/c5ob00180c","","x-ray","0.6889","","","0.1527","0.0833","","","0.1667","0.2067","","","","","","0.954","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154370","10.7456","0.0006","10.9466","0.0006","16.6473","0.0007","90","","97.4225","0.0014","90","","1941.78","0.17","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 N2 O S -","- C11 H10 N2 O S -","- C88 H80 N16 O8 S8 -","8","2","","Okazaki, Shiho; Oishi, Shinya; Mizuhara, Tsukasa; Shimura, Kazuya; Murayama, Hiroto; Ohno, Hiroaki; Matsuoka, Masao; Fujii, Nobutaka","Investigations of possible prodrug structures for 2-(2-mercaptophenyl)tetrahydropyrimidines: reductive conversion from anti-HIV agents with pyrimidobenzothiazine and isothiazolopyrimidine scaffolds.","Organic & biomolecular chemistry","2015","13","16","4706","4713","10.1039/c5ob00301f","","","0.71075","MoKα","","","0.0398","","","","0.0796","","","","","","1.004","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154371","10.9877","0.0018","10.2398","0.0016","12.339","0.002","90","","110.739","0.003","90","","1298.3","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H38 O6 Si -","- C24 H38 O6 Si -","- C48 H76 O12 Si2 -","2","1","","Shing, Tony K. M.; Cheng, Hau M.","Intramolecular direct aldol reactions of sugar 2,7-diketones: syntheses of hydroxylated cycloalka(e)nones.","Organic & biomolecular chemistry","2015","13","16","4795","4802","10.1039/c5ob00253b","","","0.71073","MoKα","","0.1071","0.0622","","","0.1516","0.1848","","","","","","1.008","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154372","11.7351","0.0014","10.1832","0.0012","14.5872","0.0018","90","","99.078","0.002","90","","1721.3","0.4","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 Cl2 O2 -","- C20 H18 Cl2 O2 -","- C80 H72 Cl8 O8 -","4","1","","Subba Reddy, B. V.; Prudhvi Raju, N.; Someswarao, B.; Mohan Reddy, B. Jagan; Sridhar, B.; Marumudi, Kanakaraju; Kunwar, A. C.","A novel domino cyclization for the stereoselective synthesis of indeno[2,1-c]pyran and cyclopenta[c]pyran derivatives.","Organic & biomolecular chemistry","2015","13","16","4733","4736","10.1039/c5ob00376h","","","0.71073","MoKα","","0.0637","0.0518","","","0.1188","0.1258","","","","","","1.119","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154373","8.1768","0.00015","9.01871","0.00016","14.2224","0.001","90","","90","","90","","1048.82","0.08","103","","103","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C52 H56 O8 -","4","1","","Fan, Lulu; Takizawa, Shinobu; Takeuchi, Yoshiki; Takenaka, Kazuhiro; Sasai, Hiroaki","Pd-catalyzed enantioselective intramolecular α-arylation of α-substituted cyclic ketones: facile synthesis of functionalized chiral spirobicycles.","Organic & biomolecular chemistry","2015","13","17","4837","4840","10.1039/c5ob00382b","","","1.54187","CuKα","","","0.0357","","","","0.119","","","","","","0.991","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154374","11.9606","0.0011","21.1995","0.0017","10.6937","0.0008","90","","109.815","0.005","90","","2550.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N2 O6 -","- C26 H25 Cl N2 O6 -","- C104 H100 Cl4 N8 O24 -","4","1","","Wu, Jia-Shou; Zhang, Xue; Zhang, Ying-Lao; Xie, Jian-Wu","Synthesis and antifungal activities of novel polyheterocyclic spirooxindole derivatives.","Organic & biomolecular chemistry","2015","13","17","4967","4975","10.1039/c5ob00256g","","","0.71073","MoKα","","0.1152","0.0575","","","0.1679","0.2007","","","","","","1.051","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7154375","12.3631","0.001","14.6129","0.0012","15.0199","0.0012","102.619","0.006","90.115","0.005","114.981","0.005","2386.6","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C9.09 H7.64 F1.09 N0.73 O2.18 -","- C9.09091 H7.63636 F1.09091 N0.727273 O2.18182 -","- C100 H84 F12 N8 O24 -","11","5.5","","Wu, Jia-Shou; Zhang, Xue; Zhang, Ying-Lao; Xie, Jian-Wu","Synthesis and antifungal activities of novel polyheterocyclic spirooxindole derivatives.","Organic & biomolecular chemistry","2015","13","17","4967","4975","10.1039/c5ob00256g","","","0.71073","MoKα","","0.1321","0.0742","","","0.2142","0.256","","","","","","1.067","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154376","9.3617","0.0002","13.1822","0.0002","14.7459","0.0003","90","","90","","90","","1819.76","0.06","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Br N O5 S -","- C18 H17 Br N O5 S -","- C72 H68 Br4 N4 O20 S4 -","4","1","","Takechi, Ryosuke; Nishimura, Takahiro","Rhodium-catalyzed asymmetric addition of arylboronic acids to cyclic N-sulfonyl ketimines towards the synthesis of α,α-diaryl-α-amino acid derivatives.","Organic & biomolecular chemistry","2015","13","17","4918","4924","10.1039/c5ob00431d","","","1.54187","CuKα","","0.0383","0.0367","","","0.0906","0.0918","","","","","","1.077","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154377","7.9008","0.0016","9.2433","0.0018","12.558","0.003","90","","92.35","0.03","90","","916.3","0.3","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O2 -","- C22 H32 O2 -","- C44 H64 O4 -","2","1","","Li, Pei-Fang; Yi, Cheng-Bo; Qu, Jin","Hot water-promoted cyclopropylcarbinyl rearrangement facilitates construction of homoallylic alcohols.","Organic & biomolecular chemistry","2015","13","17","5012","5021","10.1039/c5ob00305a","","","0.71073","MoKα","","0.0546","0.0352","","","0.0798","0.0885","","","","","","0.941","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154378","10.182","0.003","19.806","0.007","8.31","0.003","90","","126.517","0.005","90","","1346.8","0.8","100","2","298","2","","","","","","","1-naphthylamine","3","C 1 c 1","C -2yc","9","3'd","2-methyl-3-phenyl-1H-benzo[g]indole","","- C19 H15 N -","- C19 H15 N -","- C76 H60 N4 -","4","1","","Zhang, Furen; Li, Chunmei; Wang, Chen; Qi, Chenze","Facile synthesis of benzoindoles and naphthofurans through carbonaceous material-catalyzed cyclization of naphthylamines/naphthols with nitroolefins in water.","Organic & biomolecular chemistry","2015","13","17","5022","5029","10.1039/c5ob00129c","","","0.71073","MoKα","","0.0348","0.0328","","","0.0829","0.0847","","","","","","1.043","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154379","9.2763","0.0002","10.2244","0.0003","19.9092","0.0005","90","","94.243","0.002","90","","1883.1","0.08","288","2","288","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 N -","- C26 H19 N -","- C104 H76 N4 -","4","1","","Liu, Ren-Rong; Ye, Shi-Chun; Lu, Chuan-Jun; Xiang, Bin; Gao, Jianrong; Jia, Yi-Xia","Au-catalyzed ring-opening reactions of 2-(1-alkynyl-cyclopropyl)pyridines with nucleophiles.","Organic & biomolecular chemistry","2015","13","17","4855","4858","10.1039/c5ob00523j","","","0.71073","MoKα","","0.054","0.0422","","","0.0972","0.1051","","","","","","1.055","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154380","8.5053","0.0003","18.3634","0.0005","14.5843","0.0004","90","","106.636","0.002","90","","2182.52","0.12","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H18 Cl N O5 -","- C26 H18 Cl N O5 -","- C104 H72 Cl4 N4 O20 -","4","2","","Molleti, Nagaraju; Singh, Vinod K.","Highly enantioselective synthesis of naphthoquinones and pyranonaphthoquinones catalyzed by bifunctional chiral bis-squaramides.","Organic & biomolecular chemistry","2015","13","18","5243","5254","10.1039/c5ob00105f","","","0.71073","MoKα","","0.0438","0.0329","","","0.0939","0.1062","","","","","","1.23","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154381","5.4941","0.0002","24.8448","0.001","12.4135","0.0005","90","","102.044","0.004","90","","1657.14","0.11","120","","120","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 N -","- C22 H19 N -","- C88 H76 N4 -","4","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","","0.71073","MoKα","","0.0495","0.0397","","","0.0903","0.0961","","","","","","1.059","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154382","6.1174","0.0004","11.805","0.0004","12.9211","0.0004","89.082","0.003","80.227","0.005","76.501","0.005","893.89","0.08","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O -","- C23 H21 N O -","- C46 H42 N2 O2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0662","0.0512","","","0.131","0.1452","","","","","","1.02","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154383","5.6806","0.0005","12.4099","0.0009","12.5191","0.0009","89.497","0.004","79.611","0.004","78.354","0.004","849.85","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H18 Cl N -","- C22 H18 Cl N -","- C44 H36 Cl2 N2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","1.54184","CuKα","","0.0918","0.0788","","","0.2033","0.2178","","","","","","1.026","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154384","6.1195","0.0005","8.1503","0.0007","34.905","0.003","93.937","0.003","93.167","0.003","95.383","0.003","1725.8","0.3","120","","120","","","","","","","","","3","P -1","-P 1","2","","","","- C23 H21 N -","- C23 H21 N -","- C92 H84 N4 -","4","2","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0868","0.0644","","","0.1598","0.1784","","","","","","1.016","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154385","6.04042","0.00015","11.6602","0.0003","12.1628","0.0002","99.3522","0.0019","98.908","0.0019","101.371","0.002","813.07","0.03","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N S -","- C20 H17 N S -","- C40 H34 N2 S2 -","2","1","","Pujol, Alba; Calow, Adam D. J.; Batsanov, Andrei S.; Whiting, Andrew","One-pot catalytic asymmetric borylation of unsaturated aldehyde-derived imines; functionalisation to homoallylic boronate carboxylate ester derivatives.","Organic & biomolecular chemistry","2015","13","18","5122","5130","10.1039/c4ob02657h","","x-ray","0.71073","MoKα","","0.0468","0.0415","","","0.1033","0.1085","","","","","","1.055","","","","has coordinates,has disorder","180329","2020-10-21","18:00:00",""
"7154386","15.7471","0.0004","7.1137","0.0002","15.1029","0.0003","90","","94.492","0.001","90","","1686.63","0.07","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H15 N O4 S -","- C20 H15 N O4 S -","- C80 H60 N4 O16 S4 -","4","1","","Choi, Ji Hye; Lim, Hwan Jung","Mild one-pot Horner-Wadsworth-Emmons olefination and intramolecular N-arylation for the syntheses of indoles, all regio-isomeric azaindoles, and thienopyrroles.","Organic & biomolecular chemistry","2015","13","18","5131","5138","10.1039/c5ob00528k","","","0.71073","MoKα","","0.0486","0.0349","","","0.0824","0.0896","","","","","","1.056","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154387","8.7022","0.0001","21.4243","0.0003","8.404","0.0001","90","","103.488","0.001","90","","1523.61","0.03","100","1","100","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl N2 O4 -","- C17 H13 Cl N2 O4 -","- C68 H52 Cl4 N8 O16 -","4","1","","Choi, Ji Hye; Lim, Hwan Jung","Mild one-pot Horner-Wadsworth-Emmons olefination and intramolecular N-arylation for the syntheses of indoles, all regio-isomeric azaindoles, and thienopyrroles.","Organic & biomolecular chemistry","2015","13","18","5131","5138","10.1039/c5ob00528k","","","0.71073","MoKα","","0.0361","0.0303","","","0.0745","0.0782","","","","","","1.044","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154388","13.088","0.005","9.287","0.005","16.183","0.005","90","0.005","103.796","0.005","90","0.005","1910.3","1.4","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C39 H46 O12 -","- C39 H46 O12 -","- C78 H92 O24 -","2","1","","Vibhute, Amol M.; Konieczny, Vera; Taylor, Colin W.; Sureshan, Kana M.","Triazolophostins: a library of novel and potent agonists of IP3 receptors.","Organic & biomolecular chemistry","2015","13","24","6698","6710","10.1039/c5ob00440c","","","0.71073","MoKα","","0.0788","0.065","","","0.1711","0.1905","","","","","","1.074","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154389","10.992","0.004","11.214","0.004","11.305","0.004","102.215","0.005","104.067","0.005","108.292","0.005","1219.1","0.8","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H22 O4 -","- C31 H22 O4 -","- C62 H44 O8 -","2","1","","Ma, Jun-Rui; Shu, Wen-Ming; Zheng, Kai-Lu; Ni, Fan; Yin, Guo-Dong; Wu, An-Xin","Efficient approach to 2-hydroxy-2,3-dihydrofuran derivatives and its application for the synthesis of novel 4-(1H-pyrazol-4-yl)pyridazines.","Organic & biomolecular chemistry","2015","13","17","4976","4980","10.1039/c5ob00163c","","","0.71073","MoKα","","0.0677","0.0525","","","0.1555","0.1652","","","","","","1.09","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154390","9.0418","0.0019","11.277","0.002","12.649","0.003","90","","110.94","","90","","1204.6","0.4","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C31 H22 N4 -","- C31 H22 N4 -","- C62 H44 N8 -","2","1","","Ma, Jun-Rui; Shu, Wen-Ming; Zheng, Kai-Lu; Ni, Fan; Yin, Guo-Dong; Wu, An-Xin","Efficient approach to 2-hydroxy-2,3-dihydrofuran derivatives and its application for the synthesis of novel 4-(1H-pyrazol-4-yl)pyridazines.","Organic & biomolecular chemistry","2015","13","17","4976","4980","10.1039/c5ob00163c","","","0.71073","MoKα","","0.0469","0.038","","","0.0949","0.1191","","","","","","0.511","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154391","5.5916","0.0001","11.9281","0.0002","15.3677","0.0011","70.326","0.005","80.097","0.006","79.031","0.006","941.04","0.08","93","2","93","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H24 O4 -","- C23 H24 O4 -","- C46 H48 O8 -","2","1","","Magpusao, Anniefer N.; Rutledge, Kelli; Mercado, Brandon Q.; Peczuh, Mark W.","Stereogenic α-carbons determine the shape and topology of [13]-macrodilactones.","Organic & biomolecular chemistry","2015","13","18","5086","5089","10.1039/c5ob00402k","","","1.54187","CuKα","","0.0317","0.0294","","","0.0735","0.0749","","","","","","1.073","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154392","9.1967","0.0005","10.3931","0.0007","19.4118","0.001","90","","90","","90","","1855.42","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O5 -","- C20 H23 N O5 -","- C80 H92 N4 O20 -","4","1","","Shashank, Adluri B.; Ramachary, Dhevalapally B.","Organocatalytic diastereoselective synthesis of chiral decalines through the domino Claisen-Schmidt/Henry reaction.","Organic & biomolecular chemistry","2015","13","18","5110","5114","10.1039/c5ob00562k","","","1.54184","CuKα","","0.0679","0.0608","","","0.1705","0.1803","","","","","","1.059","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154393","8.981","0.0004","11.3115","0.0005","9.4917","0.0007","90","","112.099","0.007","90","","893.41","0.1","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C40 H54 N2 O10 -","2","1","","Shashank, Adluri B.; Ramachary, Dhevalapally B.","Organocatalytic diastereoselective synthesis of chiral decalines through the domino Claisen-Schmidt/Henry reaction.","Organic & biomolecular chemistry","2015","13","18","5110","5114","10.1039/c5ob00562k","","","1.54184","CuKα","","0.0356","0.0352","","","0.0955","0.0962","","","","","","1.047","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154394","7.9598","0.0003","9.8111","0.0003","17.7241","0.0006","90","","90","","90","","1384.15","0.08","150.15","","150.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","((2R,3S,4R,5R,6S)-3,4-Dihydroxy-6-methoxy-5-(methylsulfonamido) tetrahydro-2H-pyran-2-yl)methyl sulfamate","","- C8 H18 N2 O9 S2 -","- C8 H18 N2 O9 S2 -","- C32 H72 N8 O36 S8 -","4","1","","Miller, Duncan C.; Carbain, Benoit; Beale, Gary S.; Alhasan, Sari F.; Reeves, Helen L.; Baisch, Ulrich; Newell, David R.; Golding, Bernard T.; Griffin, Roger J.","Regioselective sulfamoylation at low temperature enables concise syntheses of putative small molecule inhibitors of sulfatases.","Organic & biomolecular chemistry","2015","13","18","5279","5284","10.1039/c5ob00211g","","x-ray","0.71073","MoKα","","0.0277","0.026","","","0.0647","0.0667","","","","","","1.052","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154395","4.9159","0.0005","9.8984","0.0011","11.3114","0.0013","88.785","0.009","78.349","0.009","82.913","0.009","534.94","0.1","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C24 H18 N2 O6 -","2","1","","Wang, Shichao; Li, Yong; Liu, Hui; Li, Jinpeng; Li, Tiesheng; Wu, Yangjie; Okada, Shuji; Nakanishi, Hachiro","Topochemical polymerization of unsymmetrical aryldiacetylene supramolecules with nitrophenyl substituents utilizing C-Hπ interactions.","Organic & biomolecular chemistry","2015","13","19","5467","5474","10.1039/c5ob00435g","","","1.54184","CuKα","","0.1033","0.0724","","","0.2119","0.2766","","","","","","1.139","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154396","9.8399","0.0006","5.2999","0.0003","28.511","0.0016","90","","98.305","0.006","90","","1471.27","0.15","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0672","0.0483","","","0.1458","0.1651","","","","","","1.034","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154397","11.0565","0.0007","25.7976","0.0011","5.1911","0.0003","90","","103.206","0.007","90","","1441.51","0.14","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0849","0.0584","","","0.1641","0.1893","","","","","","1.044","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154398","5.8502","0.0003","10.6878","0.0008","11.8197","0.0008","88.055","0.006","85.254","0.005","81.792","0.005","728.77","0.08","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0687","0.0568","","","0.1625","0.177","","","","","","1.04","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154399","6.9852","0.0005","8.4612","0.0007","13.1167","0.0009","73.977","0.007","81.811","0.006","78.873","0.007","727.84","0.1","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C32 H40 O8 -","2","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0614","0.0455","","","0.1217","0.1361","","","","","","1.024","","","","has coordinates","180329","2020-10-21","18:00:00",""
"7154400","7.4859","0.0004","21.3424","0.0016","9.3008","0.0005","90","","90","","90","","1485.96","0.16","295","2","295","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.0526","0.0437","","","0.108","0.116","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154401","11.7297","0.0005","8.2689","0.0005","34.713","0.002","90","","90","","90","","3366.9","0.3","200","2","200","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C144 H192 O40 -","8","1","","Hsu, Che-Sheng; Chou, Ho-Hsuan; Fang, Jim-Min","A short synthesis of (±)-antroquinonol in an unusual scaffold of 4-hydroxy-2-cyclohexenone.","Organic & biomolecular chemistry","2015","13","19","5510","5519","10.1039/c5ob00411j","","","1.54178","CuKα","","0.1087","0.0737","","","0.1887","0.22","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154402","11.4719","0.0017","12.698","0.0019","13.003","0.0018","104.987","0.004","106.388","0.004","111.648","0.004","1543","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 Cl N2 O6 -","- C34 H33 Cl N2 O6 -","- C68 H66 Cl2 N4 O12 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1682","0.0726","","","0.1897","0.2296","","","","","","1.034","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154403","12.3","0.002","9.3444","0.0017","27.632","0.005","90","","104.945","0.007","90","","3068.5","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H33 Cl N2 O6 -","- C34 H33 Cl N2 O6 -","- C136 H132 Cl4 N8 O24 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1657","0.0763","","","0.1334","0.1662","","","","","","1.043","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154404","11.583","0.002","11.842","0.002","12.658","0.002","101.756","0.005","108.305","0.005","110.254","0.005","1448.2","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl2 N2 O6 -","- C31 H28 Cl2 N2 O6 -","- C62 H56 Cl4 N4 O12 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.2263","0.0696","","","0.1159","0.1551","","","","","","0.956","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154405","7.5714","0.001","15.502","0.002","20.241","0.003","90","","90","","90","","2375.7","0.6","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 Cl N2 O6 -","- C25 H25 Cl N2 O6 -","- C100 H100 Cl4 N8 O24 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.0873","0.0458","","","0.0931","0.106","","","","","","1.022","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154406","12.0486","0.0015","19.463","0.002","13.053","0.0016","90","","106.16","0.002","90","","2940","0.6","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H33 F N2 O6 -","- C33 H33 F N2 O6 -","- C132 H132 F4 N8 O24 -","4","2","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1289","0.1072","","","0.2579","0.2921","","","","","","1.134","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154407","18.95","0.007","13.964","0.006","11.122","0.005","90","","90","","90","","2943","2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H32 N2 O7 S -","- C33 H32 N2 O7 S -","- C132 H128 N8 O28 S4 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1429","0.0623","","","0.1239","0.1563","","","","","","0.97","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154408","10.504","0.002","16.482","0.003","16.712","0.003","90","","90","","90","","2893.3","0.9","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H33 Cl N2 O7 S -","- C30 H33 Cl N2 O7 S -","- C120 H132 Cl4 N8 O28 S4 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1526","0.0726","","","0.1519","0.1832","","","","","","1.003","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7154409","11.703","0.0013","30.077","0.004","29.48","0.004","90","","93.181","0.003","90","","10361","2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 F N2 O11 -","- C37 H35 F N2 O11 -","- C444 H420 F12 N24 O132 -","12","3","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1676","0.0588","","","0.1038","0.1339","","","","","","1.001","","","","has coordinates,has disorder","180330","2020-10-21","18:00:00",""
"7154410","10.5329","0.0012","10.6066","0.0011","19.252","0.002","104.723","0.003","97.305","0.003","107.595","0.003","1933.7","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H37 Cl N2 O10 -","- C34 H37 Cl N2 O10 -","- C68 H74 Cl2 N4 O20 -","2","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1233","0.0894","","","0.2795","0.2992","","","","","","1.112","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154411","15.9722","0.0018","8.9978","0.001","27.367","0.003","90","","94.485","0.004","90","","3921","0.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C44 H42 N2 O10 -","- C44 H42 N2 O10 -","- C176 H168 N8 O40 -","4","1","","Sun, Jing; Chen, Liang; Gong, Hui; Yan, Chao-Guo","Convenient synthesis of functionalized spiro[indoline-3,2'-pyrrolizines] or spiro[indoline-3,3'-pyrrolidines] via multicomponent reactions.","Organic & biomolecular chemistry","2015","13","21","5905","5917","10.1039/c5ob00437c","","","0.71073","MoKα","","0.1676","0.067","","","0.1381","0.1756","","","","","","1.041","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154412","7.9805","0.0007","23.492","0.002","9.3323","0.0008","90","","112.494","0.002","90","","1616.5","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 N3 O2 S -","- C16 H17 N3 O2 S -","- C64 H68 N12 O8 S4 -","4","1","","Wang, Lan-Zhi; Li, Xiao-Qing; An, Ying-Shuang","1,5-Benzodiazepine derivatives as potential antimicrobial agents: design, synthesis, biological evaluation, and structure-activity relationships.","Organic & biomolecular chemistry","2015","13","19","5497","5509","10.1039/c5ob00655d","","","0.71073","MoKα","","0.1192","0.0582","","","0.1427","0.1831","","","","","","1.014","","","","has coordinates,has disorder","180330","2020-10-21","18:00:00",""
"7154413","9.807","0.005","22.782","0.011","10.81","0.005","90","","114.359","0.007","90","","2200.2","1.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H22 Cl N O5 -","- C23 H22 Cl N O5 -","- C92 H88 Cl4 N4 O20 -","4","2","","Xue, Zhi-Yong; Song, Zhi-Min; Wang, Chun-Jiang","Cu(i)/TF-BiphamPhos-catalyzed asymmetric Michael addition of cyclic ketimino esters to alkylidene malonates.","Organic & biomolecular chemistry","2015","13","19","5460","5466","10.1039/c5ob00591d","","","0.71073","MoKα","","0.1441","0.0706","","","0.1427","0.1677","","","","","","1.038","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154414","9.043","0.002","10.807","0.002","13.279","0.003","106.641","0.005","90.549","0.005","107.25","0.005","1181.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H19 Cl3 N2 -","- C28 H19 Cl3 N2 -","- C56 H38 Cl6 N4 -","2","1","","Peng, Haibo; Yu, Jin-Tao; Jiang, Yan; Wang, Lei; Cheng, Jiang","Rhodium-catalyzed annulation between 2-arylimidazo[1,2-a]pyridines and alkynes leading to pyrido[1,2-a]benzimidazole derivatives.","Organic & biomolecular chemistry","2015","13","19","5354","5357","10.1039/c5ob00450k","","","0.71073","MoKα","","0.0962","0.0743","","","0.2302","0.2795","","","","","","1.135","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154415","16.9345","0.0013","22.9721","0.0013","10.3059","0.0007","90","","108.212","0.002","90","","3808.4","0.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","N-{4-[4-(trifluoromethyl)phenyl]-3-oxabicyclo[4.2.0]octan-1-yl}benzamide","","- C21 H20 F3 N O2 -","- C21 H20 F3 N O2 -","- C168 H160 F24 N8 O16 -","8","1","","Subba Reddy, B. V.; Muralikrishna, K.; Yadav, J. S.; Babu, N. Jagdeesh; Sirisha, K.; Sarma, A. V. S.","Tandem Prins/Wagner/Ritter process for the stereoselective synthesis of (3-oxabicyclo[4.2.0]octanyl)amide and (1-(5-aryltetrahydrofuran-3-yl)cyclobutyl)amide derivatives.","Organic & biomolecular chemistry","2015","13","19","5532","5536","10.1039/c5ob00031a","","","0.71073","MoKα","","0.1166","0.0978","","","0.1977","0.2084","","","","","","1.244","","","","has coordinates,has disorder","180330","2020-10-21","18:00:00",""
"7154416","8.205","0.0005","10.6112","0.0006","10.8283","0.0006","90","","90","","90","","942.76","0.09","293.15","","293.15","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Wu, Jie; You, Qiulin; Lan, Jingbo; Guo, Qiang; Li, Xiaoyu; Xue, Ying; You, Jingsong","Cu-catalysed direct C-H (hetero)arylation of [1,2,4]triazolo[4,3-a]pyridine to construct deep-blue-emitting luminophores.","Organic & biomolecular chemistry","2015","13","19","5372","5375","10.1039/c5ob00552c","","x-ray","1.54184","CuKα","","0.0475","0.0456","","","0.1161","0.1197","","","","","","1.069","","","","has coordinates","180330","2020-10-21","18:00:00",""
"7154417","9.958","0.002","10.5456","0.0008","11.151","0.004","72.1","0.2","84.9","0.2","69.76","0.17","1045.3","1.7","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H17 Br2 N3 O5 -","- C21 H17 Br2 N3 O5 -","- C42 H34 Br4 N6 O10 -","2","1","","Li, Jun-Hua; Du, Da-Ming","Enantioselective synthesis of chiral heterocycles containing both chroman and pyrazolone derivatives catalysed by a chiral squaramide.","Organic & biomolecular chemistry","2015","13","20","5636","5645","10.1039/c4ob02653e","","","0.71073","MoKα","","0.06","0.042","","","0.0988","0.105","","","","","","1.003","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7154418","8.7578","0.0004","10.8532","0.0006","18.2457","0.0009","90","","90","","90","","1734.26","0.15","291","2","291.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 F4 O2 -","- C19 H16 F4 O2 -","- C76 H64 F16 O8 -","4","1","","Wang, Jingjing; Kong, Wei-Guang; Li, Feng; Liu, Jie; Shen, Qin; Liu, Lantao; Zhao, Wen-Xian","Silver salts and DBU cooperatively catalyzed nucleophilic addition/cyclization of propargylic alcohols with trifluoromethyl ketones.","Organic & biomolecular chemistry","2015","13","19","5399","5406","10.1039/c5ob00438a","","","1.54184","CuKα","","0.0438","0.039","","","0.097","0.1014","","","","","","1.038","","","","has coordinates","138855","2020-10-21","18:00:00",""
"7154419","10.907","0.0003","20.1115","0.0005","11.0941","0.0003","90","","99.508","0.003","90","","2400.13","0.11","180","0.14","180","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C54 H43 Cl2 F3 O3 P2 Pd S -","- C54 H43 Cl2 F3 O3 P2 Pd S -","- C108 H86 Cl4 F6 O6 P4 Pd2 S2 -","2","1","","Franzoni, Ivan; Guénée, Laure; Mazet, Clément","A general Pd-catalyzed α- and γ-benzylation of aldehydes for the formation of quaternary centers.","Organic & biomolecular chemistry","2015","13","22","6338","6343","10.1039/c5ob00702j","","","1.54184","CuKα","","0.063","0.0605","","","0.1619","0.1652","","","","","","1.059","","","","has coordinates,has disorder","138819","2020-10-21","18:00:00",""
"7154420","6.35","0.005","31.01","0.03","6.458","0.005","90","","112.526","0.013","90","","1174.6","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 I -","- C13 H15 I -","- C52 H60 I4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0774","0.0442","","","0.0931","0.1018","","","","","","0.997","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154421","6.201","0.005","30.714","0.005","6.35","0.005","90","","114.351","0.005","90","","1101.8","1.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Br -","- C13 H15 Br -","- C52 H60 Br4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0519","0.036","","","0.0779","0.0865","","","","","","0.997","","","","has coordinates","138820","2020-10-21","18:00:00",""
"7154422","6.3915","0.0004","6.8582","0.0005","24.6067","0.0017","90","","94.259","0.007","90","","1075.64","0.13","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl -","- C13 H15 Cl -","- C52 H60 Cl4 -","4","1","","Montoro, Teresa; Tardajos, Gloria; Guerrero, Andrés; Torres, María Del Rosario; Salgado, Cástor; Fernández, Israel; Osío Barcina, José","σ-Holeπ and lone pairπ interactions in benzylic halides.","Organic & biomolecular chemistry","2015","13","22","6194","6202","10.1039/c5ob00366k","","","0.71073","MoKα","","0.0706","0.0439","","","0.0821","0.0959","","","","","","0.998","","","","has coordinates","138820","2020-10-21","18:00:00",""
"7154423","12.175","0.002","10.945","0.002","20.162","0.004","90","","91.26","0.03","90","","2686","0.8","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C136 H136 N8 O16 -","8","1","","Zhu, Chunyin; Bi, Benwei; Ding, Ya; Zhang, Te; Chen, Qiu-Yun","A mild and facile synthesis of polyfunctionalized pyridines: merging three-component cyclization and aerobic oxidation by amine/metal catalysts.","Organic & biomolecular chemistry","2015","13","22","6278","6285","10.1039/c5ob00630a","","","0.71073","MoKα","","0.0464","0.0386","","","0.0931","0.0978","","","","","","1.055","","","","has coordinates","138821","2020-10-21","18:00:00",""
"7154424","5.3827","0.0019","7.108","0.002","20.99","0.007","90","","97.301","0.006","90","","796.6","0.4","173","","173","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H18 Cl F4 N O2 -","- C15 H18 Cl F4 N O2 -","- C30 H36 Cl2 F8 N2 O4 -","2","1","","Ayoup, Mohammed Salah; Cordes, David B.; Slawin, Alexandra M. Z.; O'Hagan, David","Fluorine containing amino acids: synthesis and peptide coupling of amino acids containing the all-cis tetrafluorocyclohexyl motif.","Organic & biomolecular chemistry","2015","13","20","5621","5624","10.1039/c5ob00650c","","","1.54187","CuKα","","0.1193","0.0966","","","0.2465","0.2711","","","","","","0.978","","","","has coordinates","138832","2020-10-21","18:00:00",""
"7154425","8.1008","0.0019","9.745","0.002","18.18","0.004","90","","90","","90","","1435.2","0.5","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","de la Fuente, Alex; Mena-Barragán, Teresa; Farrar-Tobar, Ronald A; Verdaguer, Xavier; García Fernández, José M; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective synthesis of 2-acetamido-1,2-dideoxynojirimycin (DNJNAc) and ureido-DNJNAc derivatives as new hexosaminidase inhibitors.","Organic & biomolecular chemistry","2015","13","23","6500","6510","10.1039/c5ob00507h","","","0.71073","MoKα","","0.0555","0.0463","","","0.1326","0.142","","","","","","0.973","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154426","9.6858","0.0009","9.9838","0.0006","15.1087","0.001","90","","90","","90","","1461.03","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N4 O4 -","- C14 H16 N4 O4 -","- C56 H64 N16 O16 -","4","1","","de la Fuente, Alex; Mena-Barragán, Teresa; Farrar-Tobar, Ronald A; Verdaguer, Xavier; García Fernández, José M; Ortiz Mellet, Carmen; Riera, Antoni","Stereoselective synthesis of 2-acetamido-1,2-dideoxynojirimycin (DNJNAc) and ureido-DNJNAc derivatives as new hexosaminidase inhibitors.","Organic & biomolecular chemistry","2015","13","23","6500","6510","10.1039/c5ob00507h","","","0.71073","MoKα","","0.0617","0.0576","","","0.1555","0.1614","","","","","","1.143","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154427","5.8099","0.001","21.073","0.004","32.234","0.006","90","","90","","90","","3946.5","1.2","173.15","","173.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H17 Cl O3 -","- C25 H17 Cl O3 -","- C200 H136 Cl8 O24 -","8","2","","Chen, Kun-Quan; Zhang, Han-Ming; Wang, Dong-Ling; Sun, De-Qun; Ye, Song","Enantioselective N-heterocyclic carbene-catalyzed synthesis of indenopyrones.","Organic & biomolecular chemistry","2015","13","24","6694","6697","10.1039/c5ob00859j","","","0.71073","MoKα","","0.0508","0.0477","","","0.0979","0.1","","","","","","1.086","","","","has coordinates","143747","2020-10-21","18:00:00",""
"7154428","32.082","0.011","9.634","0.003","22.744","0.008","90","","99.922","0.006","90","","6925","4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C288 H272 Cl16 N32 O32 -","16","2","","Chandra Mohan, Darapaneni; Nageswara Rao, Sadu; Ravi, Chitrakar; Adimurthy, Subbarayappa","Copper-catalyzed aerobic oxidative amination of C(sp(3))-H bonds: synthesis of imidazo[1,5-a]pyridines.","Organic & biomolecular chemistry","2015","13","20","5602","5607","10.1039/c5ob00381d","","","0.71073","MoKα","","0.0773","0.0548","","","0.1378","0.1531","","","","","","1.03","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154429","15.2039","0.0008","12.3888","0.0006","9.8162","0.0005","90","","98.113","0.002","90","","1830.46","0.16","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","coumarinopyran pyrimidinedione","4,6-dimethyl-9-phenyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15, 17-tetraene-3,5,11-trione","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Bakthadoss, Manickam; Kannan, Damodharan; Sivakumar, Nagappan; Malathi, Palani; Manikandan, Vasudevan","Stereoselective construction of functionalized tetracyclic and pentacyclic coumarinopyranpyrazole/pyrimidinedione/coumarin scaffolds using a solid-state melt reaction.","Organic & biomolecular chemistry","2015","13","20","5597","5601","10.1039/c5ob00442j","","","0.71073","MoKα","","0.0696","0.0479","","","0.1326","0.1598","","","","","","1.029","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154430","7.1491","0.0006","9.2336","0.0009","10.4719","0.0009","91.207","0.004","97.28","0.003","90.918","0.003","685.42","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H12 Cl N O -","- C17 H12 Cl N O -","- C34 H24 Cl2 N2 O2 -","2","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0546","0.0387","","","0.0991","0.1106","","","","","","1.073","","","","has coordinates","171492","2020-10-21","18:00:00",""
"7154431","15.8518","0.001","7.2952","0.0005","13.5752","0.0007","90","","106.043","0.003","90","","1508.72","0.16","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Cl N O2 -","- C18 H14 Cl N O2 -","- C72 H56 Cl4 N4 O8 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0795","0.0535","","","0.1443","0.1642","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154432","6.3743","0.0007","10.3034","0.0013","10.5322","0.0012","80.064","0.004","72.725","0.005","76.743","0.004","638.84","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H13 N O -","- C17 H13 N O -","- C34 H26 N2 O2 -","2","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.0895","0.0524","","","0.1378","0.1706","","","","","","0.854","","","","has coordinates","171492","2020-10-21","18:00:00",""
"7154433","19.554","0.003","14.799","0.0017","7.5795","0.0009","90","","101.157","0.006","90","","2151.9","0.5","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C26 H23 N O3 -","- C26 H23 N O3 -","- C104 H92 N4 O12 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1024","0.0502","","","0.0984","0.1253","","","","","","0.941","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154434","14.347","0.002","7.3632","0.0011","13.382","0.002","90","","92.25","0.007","90","","1412.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1017","0.0526","","","0.1358","0.1724","","","","","","0.825","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154435","15.617","0.008","5.565","0.003","18.62","0.01","90","","113.024","0.005","90","","1489.3","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Khajuria, Rajni; Kannaboina, Prakash; Kapoor, Kamal K.; Gupta, Annah; Raina, Gaurav; Jassal, Amanpreet Kaur; Rana, Love Karan; Hundal, Maninder S.; Das, Parthasarathi","Divergent synthesis of 4,6-diarylated pyridin-2(1H)-ones from chalcones: novel access to 2,4,6-triaryl pyridines.","Organic & biomolecular chemistry","2015","13","21","5944","5954","10.1039/c5ob00545k","","","0.71073","MoKα","","0.1994","0.0891","","","0.2575","0.3334","","","","","","0.908","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154436","7.8554","0.0007","19.1071","0.0017","9.8166","0.0009","90","","112.458","0.002","90","","1361.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Pagar, Vinayak Vishnu; Liu, Rai-Shung","Gold-catalyzed α-furanylations of quinoline N-oxides with alkenyldiazo carbonyl species.","Organic & biomolecular chemistry","2015","13","22","6166","6169","10.1039/c5ob00696a","","","0.71073","MoKα","","0.0495","0.0387","","","0.0945","0.1013","","","","","","1.049","","","","has coordinates","138822","2020-10-21","18:00:00",""
"7154437","15.394","0.0017","13.3282","0.0013","18.339","0.002","90","","107.045","0.004","90","","3597.4","0.7","122.15","","122.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C47 H47 N O3 -","- C47 H47 N O3 -","- C188 H188 N4 O12 -","4","1","","Plesner, Malene; Hensel, Thomas; Nielsen, Bjarne E.; Kamounah, Fadhil S.; Brock-Nannestad, Theis; Nielsen, Christian B.; Tortzen, Christian G.; Hammerich, Ole; Pittelkow, Michael","Synthesis and properties of unsymmetrical azatrioxa[8]circulenes.","Organic & biomolecular chemistry","2015","13","21","5937","5943","10.1039/c5ob00676g","","","0.71073","MoKα","","0.0644","0.0423","","","0.0968","0.1084","","","","","","1.012","","","","has coordinates","138844","2020-10-21","18:00:00",""
"7154438","10.2403","0.0009","12.1323","0.0011","12.4975","0.0012","90","","92.516","0.001","90","","1551.2","0.2","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 B F2 N O -","- C19 H14 B F2 N O -","- C76 H56 B4 F8 N4 O4 -","4","1","","Wu, Yanping; Li, Zhenyu; Liu, Qingsong; Wang, Xiaoqing; Yan, Hui; Gong, Shuwen; Liu, Zhipeng; He, Weijiang","High solid-state luminescence in propeller-shaped AIE-active pyridine-ketoiminate-boron complexes.","Organic & biomolecular chemistry","2015","13","20","5775","5782","10.1039/c5ob00607d","","","0.71073","MoKα","","0.0739","0.0379","","","0.092","0.1122","","","","","","0.96","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154439","9.2542","0.0008","9.8875","0.0009","14.4448","0.0013","109.354","0.002","102.882","0.001","95.386","0.001","1195.24","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H24 B N O -","- C31 H24 B N O -","- C62 H48 B2 N2 O2 -","2","1","","Wu, Yanping; Li, Zhenyu; Liu, Qingsong; Wang, Xiaoqing; Yan, Hui; Gong, Shuwen; Liu, Zhipeng; He, Weijiang","High solid-state luminescence in propeller-shaped AIE-active pyridine-ketoiminate-boron complexes.","Organic & biomolecular chemistry","2015","13","20","5775","5782","10.1039/c5ob00607d","","","0.71073","MoKα","","0.1048","0.0511","","","0.1568","0.2173","","","","","","0.697","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154440","8.5374","0.0002","10.3276","0.0002","18.5918","0.0003","74.951","0.001","77.508","0.001","84.49","0.001","1544.18","0.05","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Methoxyphenyl)-1-phenyl-1<i>H</i>-pyrrolo[3,2-<i>b</i>]pyridine","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C80 H64 N8 O4 -","4","2","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.076","0.0529","","","0.1125","0.1282","","","","","","1.054","","","","has coordinates","138845","2020-10-21","18:00:00",""
"7154441","5.9896","0.0001","11.3423","0.0002","11.1347","0.0002","90","","96.311","0.001","90","","751.86","0.02","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","1-(4-Methoxyphenyl)-2-phenyl-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C20 H16 N2 O -","- C20 H16 N2 O -","- C40 H32 N4 O2 -","2","1","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.0543","0.0462","","","0.1014","0.1097","","","","","","1.061","","","","has coordinates","138845","2020-10-21","18:00:00",""
"7154442","8.9404","0.0003","19.2009","0.0005","9.662","0.0003","90","","92.373","0.001","90","","1657.19","0.09","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(2-Naphthyl)-1-phenyl-1<i>H</i>-pyrrolo[2,3-<i>b</i>]pyridine","","- C23 H16 N2 -","- C23 H16 N2 -","- C92 H64 N8 -","4","1","","Pham, Ngo Nghia; Dang, Thanh Tuan; Ngo, Ngoc Thang; Villinger, Alexander; Ehlers, Peter; Langer, Peter","Facile synthesis of 4- and 7-azaindoles from the corresponding imines by palladium-catalyzed cascade C-C and C-N coupling.","Organic & biomolecular chemistry","2015","13","21","6047","6058","10.1039/c5ob00720h","","","0.71073","MoKα","","0.0683","0.0512","","","0.121","0.1328","","","","","","1.067","","","","has coordinates","138845","2020-10-21","18:00:00",""
"7154443","9.181","0.004","9.395","0.004","27.281","0.011","90","","90","","90","","2353.1","1.7","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 Br2 N2 O3 S -","- C24 H24 Br2 N2 O3 S -","- C96 H96 Br8 N8 O12 S4 -","4","1","","Gui, Yong-Yuan; Yang, Jian; Qi, Liang-Wen; Wang, Xiao; Tian, Fang; Li, Xiao-Nian; Peng, Lin; Wang, Li-Xin","A cinchona alkaloid catalyzed enantioselective sulfa-Michael/aldol cascade reaction of isoindigos: construction of chiral bispirooxindole tetrahydrothiophenes with vicinal quaternary spirocenters.","Organic & biomolecular chemistry","2015","13","22","6371","6379","10.1039/c5ob00774g","","","0.71073","MoKα","","0.1828","0.1472","","","0.3251","0.346","","","","","","1.094","","","","has coordinates","138824","2020-10-21","18:00:00",""
"7154444","20.5153","0.0014","6.7406","0.0004","7.4148","0.0005","90","","90","","90","","1025.36","0.12","150","","150","","","","","","","","","5","P n m a","-P 2ac 2n","62","","2,2,2-trichloro-1-(1H-indol-3-yl)ethan-1-one","","- C10 H6 Cl3 N O -","- C10 H6 Cl3 N O -","- C40 H24 Cl12 N4 O4 -","4","0.5","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0321","0.0282","","","0.066","0.0691","","","","","","1.109","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154445","9.8736","0.0005","11.2992","0.0004","10.6096","0.0005","90","","98.358","0.005","90","","1171.08","0.09","150","2","150.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,2-trichloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one","","- C11 H8 Cl3 N O -","- C11 H8 Cl3 N O -","- C44 H32 Cl12 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0413","0.0303","","","0.065","0.0715","","","","","","1.059","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154446","5.9311","0.0003","10.5722","0.0004","13.4606","0.0006","90","","90","","90","","844.04","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","2,2-dichloro-1-(1-methyl-1H-pyrrol-2-yl)ethan-1-one","","- C7 H7 Cl2 N O -","- C7 H7 Cl2 N O -","- C28 H28 Cl8 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0231","0.0222","","","0.0559","0.0566","","","","","","1.098","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154447","6.9827","0.0004","11.0753","0.0006","14.6118","0.0011","90","","111.091","0.005","90","","1054.31","0.12","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2-dichloro-1-(1-methyl-1H-indol-3-yl)ethan-1-one","","- C11 H9 Cl2 N O -","- C11 H9 Cl2 N O -","- C44 H36 Cl8 N4 O4 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0503","0.0401","","","0.0904","0.0987","","","","","","1.057","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154448","14.3029","0.0005","20.874","0.0009","20.909","0.0008","90","","90","","90","","6242.6","0.4","150","","150","","","","","","","","","5","P c c n","-P 2ab 2ac","56","","2,2-dichloro-3-hydroxy-3-(perfluorophenyl)-1-(p-tolyl)propan-1-one","","- C16 H9 Cl2 F5 O2 -","- C16 H9 Cl2 F5 O2 -","- C256 H144 Cl32 F80 O32 -","16","2","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0563","0.0387","","","0.0921","0.1044","","","","","","1.04","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154449","7.3186","0.0003","9.4938","0.0006","11.797","0.0007","83.481","0.005","89.534","0.004","76.102","0.004","790.37","0.08","150","","150","","","","","","","","","6","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-1-(1H-indol-3-yl)-3-(perfluorophenyl)propan-1-one","","- C17 H8 Cl2 F5 N O2 -","- C17 H8 Cl2 F5 N O2 -","- C34 H16 Cl4 F10 N2 O4 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0528","0.0392","","","0.0826","0.0911","","","","","","1.041","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154450","7.797","0.0006","9.7342","0.0007","12.022","0.001","91.836","0.007","97.659","0.006","109.698","0.007","848.48","0.12","150","","150","","","","","","","","","6","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-1-(1-methyl-1H-indol-3-yl)-3-(perfluorophenyl)propan-1-one","","- C18 H10 Cl2 F5 N O2 -","- C18 H10 Cl2 F5 N O2 -","- C36 H20 Cl4 F10 N2 O4 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0836","0.0481","","","0.0805","0.0945","","","","","","1.035","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154451","8.4691","0.0005","9.8694","0.0006","10.0248","0.0005","87.037","0.004","87.379","0.004","65.674","0.005","762.23","0.08","150","","150","","","","","","","","","5","P -1","-P 1","2","","2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)-1-(p-tolyl)propan-1-one","","- C16 H13 Cl2 N O4 -","- C16 H13 Cl2 N O4 -","- C32 H26 Cl4 N2 O8 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0502","0.0388","","","0.1011","0.1101","","","","","","1.058","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154452","8.6111","0.0005","10.1757","0.0006","11.1365","0.0007","87.574","0.005","70.982","0.006","75.76","0.005","893.45","0.1","150","","150","","","","","","","","","5","P -1","-P 1","2","","diethyl 2-(1,1-dichloro-2-(1-methyl-1H-indol-3-yl)-2-oxoethyl)-2-hydroxymalonate","","- C18 H19 Cl2 N O6 -","- C18 H19 Cl2 N O6 -","- C36 H38 Cl4 N2 O12 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0481","0.0365","","","0.0792","0.0879","","","","","","1.07","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154453","8.4445","0.0004","15.4187","0.0007","17.2259","0.0008","90","","90","","90","","2242.87","0.18","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(1R*,3R*)-2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)-1-(p-tolyl)propyl 4-nitrobenzoate","","- C23 H18 Cl2 N2 O7 -","- C23 H18 Cl2 N2 O7 -","- C92 H72 Cl8 N8 O28 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0492","0.04","","","0.0819","0.0879","","","","","","1.048","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154454","6.7051","0.0003","14.1443","0.0006","15.7774","0.0006","90","","101.326","0.004","90","","1467.17","0.11","150","","150","","","","","","","","","5","P 1 n 1","P -2yac","7","","(1R*,3R*)-1-(4-(tert-butyl)phenyl)-2,2-dichloro-3-hydroxy-3-(4-nitrophenyl)propyl 4-nitrobenzoate","","- C27 H24 Cl5 N2 O7 -","- C27 H24 Cl5 N2 O7 -","- C54 H48 Cl10 N4 O14 -","2","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0388","0.0374","","","0.0925","0.0938","","","","","","1.025","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154455","8.4142","0.0004","21.2032","0.0008","8.5672","0.0004","90","","116.111","0.006","90","","1372.47","0.13","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(1-methyl-1H-pyrrol-2-yl)methanone","","- C14 H11 Cl N2 O4 -","- C14 H11 Cl N2 O4 -","- C56 H44 Cl4 N8 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0429","0.0369","","","0.0853","0.0888","","","","","","1.072","","","","has coordinates,has disorder","138836","2020-10-21","18:00:00",""
"7154456","15.66","0.002","7.1579","0.001","14.548","0.002","90","","113.366","0.004","90","","1497","0.4","120","","120","","","","","","","","","5","C 1 c 1","C -2yc","9","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(p-tolyl)methanone","","- C16 H12 Cl N O4 -","- C16 H12 Cl N O4 -","- C64 H48 Cl4 N4 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","x-ray","0.71073","MoKα","K-L~3~","0.0321","0.0302","","","0.0752","0.077","","","","","","1.074","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154457","7.323","0.00009","12.09364","0.00016","15.09304","0.00016","90","","96.2048","0.001","90","","1328.84","0.03","150.01","0.1","150.01","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","((2R*,3R*)-2-chloro-3-(4-nitrophenyl)oxiran-2-yl)(phenyl)methanone","","- C15 H10 Cl N O4 -","- C15 H10 Cl N O4 -","- C60 H40 Cl4 N4 O16 -","4","1","","Essa, Ali H.; Lerrick, Reinner I.; Çiftçi, Eçe; Harrington, Ross W.; Waddell, Paul G.; Clegg, William; Hall, Michael J.","Grignard-mediated reduction of 2,2,2-trichloro-1-arylethanones.","Organic & biomolecular chemistry","2015","13","20","5793","5803","10.1039/c5ob00541h","","","0.71073","MoKα","","0.0447","0.0328","","","0.0724","0.0779","","","","","","1.028","","","","has coordinates","138836","2020-10-21","18:00:00",""
"7154458","5.6122","0.0002","9.9184","0.0005","17.5824","0.001","102.312","0.005","94.807","0.004","102.041","0.004","926.69","0.08","130","0.1","130","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C19 H30 O6 -","- C19 H30 O6 -","- C38 H60 O12 -","2","1","","Hickey, Shane M.; Ashton, Trent D.; Khosa, Simren K.; Robson, Ryan N.; White, Jonathan M.; Li, Jian; Nation, Roger L.; Yu, Heidi Y.; Elliott, Alysha G.; Butler, Mark S.; Huang, Johnny X.; Cooper, Matthew A.; Pfeffer, Frederick M.","Synthesis and evaluation of cationic norbornanes as peptidomimetic antibacterial agents.","Organic & biomolecular chemistry","2015","13","22","6225","6241","10.1039/c5ob00621j","","","0.7107","MoKα","","0.0563","0.0448","","","0.1025","0.111","","","","","","1.074","","","","has coordinates","138825","2020-10-21","18:00:00",""
"7154459","8.772","0.006","7.482","0.004","9.64","0.006","90","","113.568","0.015","90","","579.9","0.6","566","2","566","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N O6 -","- C10 H15 N O6 -","- C20 H30 N2 O12 -","2","1","","Bai, Zhushuang; Ji, Ling; Ge, Zemei; Wang, Xin; Li, Runtao","Asymmetric Michael addition reactions of nitroalkanes to 2-furanones catalyzed by bifunctional thiourea catalysts.","Organic & biomolecular chemistry","2015","13","19","5363","5366","10.1039/c5ob00708a","","","1.54178","CuKα","","0.0424","0.0394","","","0.1053","0.1075","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154460","9.9745","0.0019","13.598","0.004","14.519","0.003","62.086","0.003","69.92","0.002","84.326","0.003","1629.8","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H36 N2 O7 -","- C37 H36 N2 O7 -","- C74 H72 N4 O14 -","2","1","","Otani, Takashi; Tamai, Yumiko; Seki, Kazunori; Kikuchi, Tomohiro; Miyazawa, Taiichiro; Saito, Takao","Stereo-controlled synthesis of polyheterocycles via the diene-transmissive hetero-Diels-Alder reaction of β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2015","13","21","5875","5879","10.1039/c5ob00503e","","","0.71073","MoKα","","0.0676","0.0519","","","0.1334","0.1475","","","","","","1.033","","","","has coordinates","138846","2020-10-21","18:00:00",""
"7154461","10.251","0.008","14.38","0.011","19.976","0.016","72.13","0.009","88.557","0.01","69.446","0.009","2613","4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H59 Cl3 N2 O10 -","- C55 H59 Cl3 N2 O10 -","- C110 H118 Cl6 N4 O20 -","2","1","","Otani, Takashi; Tamai, Yumiko; Seki, Kazunori; Kikuchi, Tomohiro; Miyazawa, Taiichiro; Saito, Takao","Stereo-controlled synthesis of polyheterocycles via the diene-transmissive hetero-Diels-Alder reaction of β,γ-unsaturated α-keto esters.","Organic & biomolecular chemistry","2015","13","21","5875","5879","10.1039/c5ob00503e","","","0.71073","MoKα","","0.1389","0.081","","","0.2225","0.252","","","","","","1.399","","","","has coordinates,has disorder","138846","2020-10-21","18:00:00",""
"7154462","11.088","0.002","18.565","0.004","13.258","0.003","90","","90","","90","","2729.1","1","133","2","133","2","","","","","","","","3","C 2 2 21","C 2c 2","20","","","","- C19 H16 O -","- C19 H16 O -","- C152 H128 O8 -","8","1","","Duda, Blazej; Lentz, Dieter","Simultaneous introduction of trifluoromethyl and λ(6)-pentafluorosulfanyl substituents using F5S-C[triple bond, length as m-dash]C-CF3 as a dienophile.","Organic & biomolecular chemistry","2015","13","20","5625","5628","10.1039/c5ob00610d","","","0.71073","MoKα","","0.0565","0.0476","","","0.115","0.1215","","","","","","1.119","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154463","16.519","0.006","12.951","0.005","17.522","0.006","90","","106.652","0.007","90","","3591","2","138","2","138","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H16 F8 S -","- C21 H16 F8 S -","- C168 H128 F64 S8 -","8","1","","Duda, Blazej; Lentz, Dieter","Simultaneous introduction of trifluoromethyl and λ(6)-pentafluorosulfanyl substituents using F5S-C[triple bond, length as m-dash]C-CF3 as a dienophile.","Organic & biomolecular chemistry","2015","13","20","5625","5628","10.1039/c5ob00610d","","","0.71073","MoKα","","0.0636","0.0468","","","0.123","0.1411","","","","","","1.099","","","","has coordinates","138838","2020-10-21","18:00:00",""
"7154464","7.7588","0.0003","5.5583","0.0002","12.2776","0.0006","90","","97.98","0.002","90","","524.35","0.04","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4R,6R)-6-(aminomethyl)-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-en-6-ol","","- C11 H19 N O -","- C11 H19 N O -","- C22 H38 N2 O2 -","2","1","","Alves, Leandro de C; Desiderá, André L; de Oliveira, Kleber T.; Newton, Sean; Ley, Steven V.; Brocksom, Timothy J.","A practical deca-gram scale ring expansion of (R)-(-)-carvone to (R)-(+)-3-methyl-6-isopropenyl-cyclohept-3-enone-1.","Organic & biomolecular chemistry","2015","13","28","7633","7642","10.1039/c5ob00525f","","","0.71073","MoKα","","0.0567","0.0445","","","0.1052","0.1097","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154465","11.8867","0.0003","12.5284","0.0006","13.0514","0.0004","79.096","0.004","89.444","0.002","77.23","0.005","1860.29","0.12","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H25 N3 -","- C21 H25 N3 -","- C84 H100 N12 -","4","2","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0473","0.0452","","","0.1167","0.1186","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154466","16.449","0.0008","16.449","0.0008","8.4714","0.0004","90","","90","","90","","2292.1","0.19","223","2","223","2","","","","","","","","3","P -4","P -4","81","","","","- C26 H27 N3 -","- C26 H27 N3 -","- C104 H108 N12 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0693","0.0592","","","0.1527","0.1621","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154467","12.9137","0.0005","14.1902","0.0004","14.606","0.0006","107.781","0.002","90.352","0.002","98.594","0.002","2516.23","0.16","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N3 O -","- C21 H17 N3 O -","- C126 H102 N18 O6 -","6","3","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0432","0.0381","","","0.1002","0.1046","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154468","14.6582","0.0009","17.3558","0.0012","7.0639","0.0007","90","","98.146","0.003","90","","1779","0.2","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N3 -","- C20 H16 Cl N3 -","- C80 H64 Cl4 N12 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","0.71073","MoKα","","0.0562","0.0411","","","0.1066","0.1121","","","","","","0.984","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154469","8.9276","0.0002","9.0785","0.0002","16.8687","0.0003","90","","96.058","0.002","90","","1359.56","0.05","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","0.71073","MoKα","","0.051","0.0442","","","0.1042","0.1107","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154470","7.7886","0.0002","9.935","0.0003","13.6151","0.0004","83.463","0.002","84.947","0.002","73.188","0.002","1000.26","0.05","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H22 Cl N3 O3 -","- C22 H22 Cl N3 O3 -","- C44 H44 Cl2 N6 O6 -","2","1","","Quintero, Celso; Valderrama, Mauricio; Becerra, Alexandra; Daniliuc, Constantin G.; Rojas, Rene S.","Synthesis of 4(3H)quinazolinimines by reaction of (E)-N-(aryl)-acetimidoyl or -benzimidoyl chloride with amines.","Organic & biomolecular chemistry","2015","13","22","6183","6193","10.1039/c5ob00444f","","","1.54178","CuKα","","0.0443","0.0362","","","0.0873","0.091","","","","","","1.053","","","","has coordinates,has disorder","138826","2020-10-21","18:00:00",""
"7154471","7.052","0.002","19.594","0.007","19.706","0.007","90","","90","","90","","2722.9","1.6","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","mx3217","","- C15 H10 Cl N3 O2 -","- C15 H10 Cl N3 O2 -","- C120 H80 Cl8 N24 O16 -","8","2","","Li, Gen; Feng, Xiangqing; Du, Haifeng","Palladium-catalyzed asymmetric allylic amination of racemic butadiene monoxide with isatin derivatives.","Organic & biomolecular chemistry","2015","13","20","5826","5830","10.1039/c5ob00663e","","","0.71073","MoKα","","0.0917","0.0766","","","0.1306","0.14","","","","","","1.135","","","","has coordinates","138839","2020-10-21","18:00:00",""
"7154472","11.205","0.003","11.346","0.003","13.093","0.004","108.312","0.003","90.218","0.003","112.482","0.003","1445.5","0.7","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 O2 S2 Si2 -","- C26 H40 O2 S2 Si2 -","- C52 H80 O4 S4 Si4 -","2","1","","Tarao, Asami; Tabuchi, Yukako; Sugimoto, Eri; Ikeda, Miki; Uchimoto, Hitomi; Arimitsu, Kenji; Kimura, Hiroyuki; Kawasaki, Ikuo; Kawahata, Masatoshi; Yamaguchi, Kentaro; Nishide, Kiyoharu","A mechanistic investigation of anti-elimination in (Z)-1,2-bis(arylseleno)-1-alkenes and their sulfur analogs.","Organic & biomolecular chemistry","2015","13","21","5964","5971","10.1039/c5ob00490j","","","0.71073","MoKα","","0.0554","0.0411","","","0.0986","0.1064","","","","","","1.033","","","","has coordinates,has disorder","138848","2020-10-21","18:00:00",""
"7154473","12.939","0.003","6.3984","0.0013","11.757","0.003","90","","94.899","0.005","90","","969.8","0.4","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O5 -","- C11 H12 O5 -","- C44 H48 O20 -","4","1","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKα","","0.0594","0.0476","","","0.1205","0.1278","","","","","","1.022","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154474","16.6489","0.0007","9.9633","0.0005","20.3053","0.0009","90","","109.201","0.0012","90","","3180.8","0.3","93","0.2","93","0.2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H21 N O6 -","- C16 H21 N O6 -","- C128 H168 N8 O48 -","8","2","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKa","","0.0449","0.0356","","","0.0866","0.0921","","","","","","1.02","","","","has coordinates,has disorder","193656","2020-10-21","18:00:00",""
"7154475","24.3516","0.0013","7.983","0.0004","10.7485","0.0005","90","","101.346","0.0014","90","","2048.66","0.18","93","0.2","93","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H14 O5 -","- C11 H14 O5 -","- C88 H112 O40 -","8","2","","Shibuya, M.; Sudoh, T.; Kawamura, T.; Yamamoto, Y.","A lactone-fused cyclohexadiene as a versatile platform for diversified synthesis of 5,6,5-tricyclic scaffolds.","Organic & biomolecular chemistry","2015","13","21","5862","5866","10.1039/c5ob00729a","","","0.71073","MoKα","","0.0376","0.0339","","","0.0862","0.089","","","","","","1.024","","","","has coordinates","138849","2020-10-21","18:00:00",""
"7154476","11.5662","0.0007","10.3707","0.0007","18.8464","0.0012","90","","106.582","0.007","90","","2166.6","0.3","293","2","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 N O2 -","- C28 H23 N O2 -","- C112 H92 N4 O8 -","4","1","","Zhang, Shuai; Ma, Yuanhong; Lan, Jingbo; Song, Feijie; You, Jingsong","Gold-catalyzed cascade C-H/C-H cross-coupling/cyclization/alkynylation: an efficient access to 3-alkynylpyrroles.","Organic & biomolecular chemistry","2015","13","21","5867","5870","10.1039/c5ob00599j","","","0.7107","MoKα","","0.063","0.0481","","","0.1143","0.1244","","","","","","1.044","","","","has coordinates","138850","2020-10-21","18:00:00",""
"7154477","8.265","0.0008","9.9045","0.0009","12.9392","0.0009","87.58","0.006","89.28","0.007","81.755","0.008","1047.31","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H18 I N O2 -","- C26 H18 I N O2 -","- C52 H36 I2 N2 O4 -","2","1","","Zhang, Shuai; Ma, Yuanhong; Lan, Jingbo; Song, Feijie; You, Jingsong","Gold-catalyzed cascade C-H/C-H cross-coupling/cyclization/alkynylation: an efficient access to 3-alkynylpyrroles.","Organic & biomolecular chemistry","2015","13","21","5867","5870","10.1039/c5ob00599j","","","0.71073","MoKα","","0.0481","0.0361","","","0.0693","0.0754","","","","","","1.053","","","","has coordinates","138850","2020-10-21","18:00:00",""
"7154478","7.7849","0.0001","22.0042","0.0004","17.4037","0.0003","90","","93.534","0.001","90","","2975.59","0.08","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 B F10 P -","- C32 H24 B F10 P -","- C128 H96 B4 F40 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0865","0.058","","","0.1256","0.1444","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154479","10.8338","0.0001","16.5708","0.0002","19.0605","0.0003","90","","91.147","0.001","90","","3421.15","0.07","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H25 B F13 O3 P S -","- C33 H25 B F13 O3 P S -","- C132 H100 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0722","0.0566","","","0.1264","0.1383","","","","","","1.058","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154480","9.8988","0.0001","12.2385","0.0001","13.9479","0.0001","90.586","0.001","107.262","0.001","99.498","0.001","1588.36","0.03","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H26 B F10 P -","- C32 H26 B F10 P -","- C64 H52 B2 F20 P2 -","2","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0554","0.05","","","0.1519","0.1558","","","","","","1.076","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154481","13.055","0.0005","18.7048","0.0008","15.4615","0.0006","90","","103.848","0.003","90","","3665.8","0.3","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C33 H27 B F13 O3 P S -","- C33 H27 B F13 O3 P S -","- C132 H108 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0919","0.0534","","","0.1359","0.1536","","","","","","1.007","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154482","8.814","0.0003","24.0603","0.0008","14.3592","0.0004","90","","104.377","0.002","90","","2949.76","0.16","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H28 B F10 P -","- C32 H28 B F10 P -","- C128 H112 B4 F40 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0598","0.0574","","","0.1339","0.1352","","","","","","1.121","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154483","11.2185","0.0002","11.8258","0.0002","15.1455","0.0003","90.266","0.001","108.687","0.001","103.129","0.001","1847.1","0.06","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H34 B Cl2 F10 P -","- C40 H34 B Cl2 F10 P -","- C80 H68 B2 Cl4 F20 P2 -","2","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.0776","0.0604","","","0.1437","0.1582","","","","","","1.064","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154484","18.0651","0.0003","10.2032","0.0001","23.1974","0.0004","90","","107.174","0.001","90","","4085.14","0.11","223","2","223","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C40 H33 B F13 O3 P S -","- C40 H33 B F13 O3 P S -","- C160 H132 B4 F52 O12 P4 S4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.1025","0.072","","","0.1763","0.1941","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154485","14.7699","0.0005","16.8329","0.0005","17.5277","0.0007","90","","99.02","0.002","90","","4303.9","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H27 B2 F20 P -","- C44 H27 B2 F20 P -","- C176 H108 B8 F80 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","1.54178","CuKα","","0.0569","0.0441","","","0.1168","0.1242","","","","","","1.077","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154486","11.7085","0.0002","20.9557","0.0004","17.8664","0.0003","90","","107.975","0.001","90","","4169.73","0.13","223","2","223","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H27 B2 F20 O P -","- C45 H27 B2 F20 O P -","- C180 H108 B8 F80 O4 P4 -","4","1","","Yu, Jiangang; Kehr, Gerald; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Erker, Gerhard","Direct synthesis of a geminal zwitterionic phosphonium/hydridoborate system - developing an alternative tool for generating frustrated Lewis pair hydrogen activation systems.","Organic & biomolecular chemistry","2015","13","20","5783","5792","10.1039/c5ob00634a","","","0.71073","MoKα","","0.1057","0.0669","","","0.132","0.156","","","","","","1.074","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154487","8.8516","0.0003","9.08","0.0004","11.1409","0.0008","90","","108.971","0.008","90","","846.79","0.09","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H22 O4 -","- C19 H22 O4 -","- C38 H44 O8 -","2","1","","Si, Debjani; Peczuh, Mark W.","Synthesis, structure and reactivity of [15]-macrodilactones.","Organic & biomolecular chemistry","2015","13","23","6463","6467","10.1039/c5ob00809c","","","1.54187","CuKα","","0.0296","0.0251","","","0.0597","0.0623","","","","","","1.066","","","","has coordinates","138853","2020-10-21","18:00:00",""
"7154488","9.2824","0.0005","10.8659","0.0006","14.2839","0.0007","109.87","0.003","103.464","0.002","98.966","0.003","1273.46","0.12","192","2","192","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Br Cl N O4 -","- C30 H21 Br Cl N O4 -","- C60 H42 Br2 Cl2 N2 O8 -","2","1","","Zhang, Shao-Yun; Ruan, Gui-Yu; Geng, Zhi-Cong; Li, Nai-Kai; Lv, Ming; Wang, Yong; Wang, Xing-Wang","Organocatalytic regioselective asymmetric Michael addition of azlactones to o-hydroxy chalcone derivatives.","Organic & biomolecular chemistry","2015","13","20","5698","5709","10.1039/c5ob00121h","","","0.71073","MoKα","","0.0717","0.046","","","0.1069","0.115","","","","","","1.031","","","","has coordinates","138842","2020-10-21","18:00:00",""
"7154489","8.6637","0.0007","15.5478","0.0012","11.0472","0.0009","90","","90","","90","","1488.1","0.2","294","2","294","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","Reddy, B. V. Subba; Someswarao, B.; Prudhviraju, N.; Reddy, B. Jagan Mohan; Sridhar, B.; Kumar, S. Kiran","An iodine catalyzed metal free domino process for the stereoselective synthesis of oxygen bridged bicyclic ethers.","Organic & biomolecular chemistry","2015","13","24","6737","6741","10.1039/c5ob00518c","","","0.71073","MoKα","","0.0509","0.0489","","","0.1088","0.1099","","","","","","1.263","","","","has coordinates","143750","2020-10-21","18:00:00",""
"7154490","23.7902","0.0019","30.832","0.002","43.42","0.003","90","","90","","90","","31849","4","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","CB7","CB7","","- C56 H103 I2 N30 O29.5 -","- C56 H92 I2 N30 O29.535 -","- C896 H1472 I32 N480 O472.56 -","16","2","","Cao, Liping; Škalamera, Đani; Zavalij, Peter Y.; Hostaš, Jiří; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammoniumammonium distance.","Organic & biomolecular chemistry","2015","13","22","6249","6254","10.1039/c5ob00784d","","","0.71073","MoKα","","0.053","0.0404","","","0.1026","0.1117","","","","","","1.044","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154491","35.892","0.003","13.475","0.001","34.752","0.003","90","","90","","90","","16808","2","150","2","150","2","","","","","","","","6","P c a 21","P 2c -2ac","29","CB7-guest","CB7-guest","","- C60 H98 F6 N30 O36 S2 -","- C60 H66 F6 N30 O35.0695 S2 -","- C480 H528 F48 N240 O280.556 S16 -","8","2","","Cao, Liping; Škalamera, Đani; Zavalij, Peter Y.; Hostaš, Jiří; Hobza, Pavel; Mlinarić-Majerski, Kata; Glaser, Robert; Isaacs, Lyle","Influence of hydrophobic residues on the binding of CB[7] toward diammonium ions of common ammoniumammonium distance.","Organic & biomolecular chemistry","2015","13","22","6249","6254","10.1039/c5ob00784d","","","0.71073","MoKα","","0.0859","0.0779","","","0.1595","0.1638","","","","","","1.065","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154492","5.947","0.003","7.118","0.003","32.87","0.011","90","","90","","90","","1391.4","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H13 Br N2 O2 -","- C15 H13 Br N2 O2 -","- C60 H52 Br4 N8 O8 -","4","1","","Maity, Rajendra; Pan, Subhas Chandra","Organocatalytic asymmetric intramolecular aza-Henry reaction: facile synthesis of trans-2,3-disubstituted tetrahydroquinolines.","Organic & biomolecular chemistry","2015","13","24","6825","6831","10.1039/c5ob00795j","","","0.71073","MoKα","","0.0801","0.0385","","","0.0949","0.1243","","","","","","1.024","","","","has coordinates","143749","2020-10-21","18:00:00",""
"7154493","5.14008","0.00006","9.60877","0.00009","18.4697","0.0002","90","","90","","90","","912.216","0.017","120.01","0.1","120.01","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H13 N O6 S -","- C6 H13 N O6 S -","- C24 H52 N4 O24 S4 -","4","1","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","x-ray","0.71073","MoKα","","0.0293","0.0266","","","0.0799","0.0819","","","","","","1.172","","","","has coordinates","138852","2020-10-21","18:00:00",""
"7154494","4.709","0.0009","38.306","0.008","11.942","0.002","90","","90.36","0.03","90","","2154.1","0.7","120","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H28 O5 -","- C26 H28 O5 -","- C104 H112 O20 -","4","2","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","","0.7108","synchrotron","","0.1008","0.084","","","0.2101","0.2231","","","","","","1.127","","","","has coordinates,has disorder","138852","2020-10-21","18:00:00",""
"7154495","5.094","0.001","12.212","0.002","30.472","0.006","96.75","0.03","94.01","0.03","92.39","0.03","1875.5","0.6","100","","100","","","","","","","","","5","P 1","P 1","1","","","","- C30 H66 N4 O13 S2 -","- C30 H66 N4 O13 S2 -","- C60 H132 N8 O26 S4 -","2","2","","Suthagar, Kajitha; Polson, Matthew I. J.; Fairbanks, Antony J.","Unexpected furanose/pyranose equilibration of N-glycosyl sulfonamides, sulfamides and sulfamates.","Organic & biomolecular chemistry","2015","13","23","6573","6579","10.1039/c5ob00851d","","","0.7108","synchrotron","","0.1915","0.1302","","","0.3225","0.3624","","","","","","1.102","","","","has coordinates,has disorder","138852","2020-10-21","18:00:00",""
"7154496","16.1194","0.0003","8.0643","0.00015","16.6212","0.0003","90","","118.785","0.0007","90","","1893.64","0.06","123","","123","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-Methyl-6-phenylthio-N-(quinolin-8-yl)benzamide","","- C23 H18 N2 O S -","- C23 H18 N2 O S -","- C92 H72 N8 O4 S4 -","4","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0412","","","","0.1013","","","","","","1.113","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154497","7.84222","0.00014","10.50484","0.00019","12.7128","0.0003","98.844","0.001","95.2486","0.0011","107.102","0.001","978.67","0.03","123","","123","","","","","","","","","5","P -1","-P 1","2","","2-(4-Methylbenzenesulfonyl)-6-methyl-N-(quinolin-8-yl)benzamide","","- C24 H20 N2 O3 S -","- C24 H20 N2 O3 S -","- C48 H40 N4 O6 S2 -","2","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0438","","","","0.1903","","","","","","1.075","","","","has coordinates","143751","2020-10-21","18:00:00",""
"7154498","10.2496","0.00019","10.78136","0.00019","13.5184","0.0003","65.7836","0.001","78.6515","0.0011","89.8471","0.0012","1330.66","0.05","123","","123","","","","","","","","","5","P -1","-P 1","2","","2-(4-Methylbenzenesulfonyl)-6-methyl-N-(5-(4-methylbenzenesulfonyl)quinolin-8-yl)benzamide","","- C31 H26 N2 O5 S2 -","- C31 H26 N2 O5 S2 -","- C62 H52 N4 O10 S4 -","2","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","x-ray","1.54187","CuKα","","","0.0403","","","","0.1212","","","","","","1.11","","","","has coordinates","143751","2020-10-21","18:00:00",""
"7154499","7.2995","0.0004","8.9313","0.0004","23.2132","0.0012","90","","90.8321","0.0017","90","","1513.2","0.13","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","6-Methyl-2-(methylsulfanyl)-N-(quinolin-8-yl)benzamide","","- C18 H16 N2 O S -","- C18 H16 N2 O S -","- C72 H64 N8 O4 S4 -","4","1","","Reddy, Vutukuri Prakash; Qiu, Renhua; Iwasaki, Takanori; Kambe, Nobuaki","Nickel-catalyzed synthesis of diarylsulfides and sulfones via C-H bond functionalization of arylamides.","Organic & biomolecular chemistry","2015","13","24","6803","6813","10.1039/c5ob00149h","","","0.71075","MoKα","","","0.0416","","","","0.109","","","","","","1.07","","","","has coordinates","143751","2020-10-21","18:00:00",""
"7154500","13.9327","0.0012","5.8545","0.0005","18.9127","0.0015","90","","109.456","0.005","90","","1454.6","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O3 -","- C16 H19 N O3 -","- C64 H76 N4 O12 -","4","1","","Nath, Utpal; Banerjee, Ankush; Ghosh, Bidhan; Pan, Subhas Chandra","Organocatalytic asymmetric Michael addition of 1-acetylcyclohexene and 1-acetylcyclopentene to nitroolefins.","Organic & biomolecular chemistry","2015","13","25","7076","7083","10.1039/c5ob00878f","","","0.71073","MoKα","","0.1735","0.0901","","","0.1455","0.1667","","","","","","1.235","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154501","7.4874","0.0006","7.3181","0.0004","15.1101","0.0013","90","","103.139","0.005","90","","806.26","0.11","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C38 H36 N4 O4 -","2","1","","Quick, Matthias P.; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Asymmetric synthesis of 3-substituted tetrahydro-2-benzazepines.","Organic & biomolecular chemistry","2015","13","26","7265","7281","10.1039/c5ob00731c","","","1.54178","CuKα","","0.0534","0.0454","","","0.1092","0.1164","","","","","","1.075","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154502","7.9192","0.0002","14.304","0.0009","14.6004","0.0009","90","","90","","90","","1653.88","0.15","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 N2 O2 -","- C19 H18 N2 O2 -","- C76 H72 N8 O8 -","4","1","","Quick, Matthias P.; Fröhlich, Roland; Schepmann, Dirk; Wünsch, Bernhard","Asymmetric synthesis of 3-substituted tetrahydro-2-benzazepines.","Organic & biomolecular chemistry","2015","13","26","7265","7281","10.1039/c5ob00731c","","","1.54178","CuKα","","0.0431","0.0399","","","0.0998","0.1029","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154503","9.1457","0.0004","21.3132","0.0009","9.5797","0.0004","90","","111.479","0.0012","90","","1737.63","0.13","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6b","","- C21 H19 N S2 -","- C21 H19 N S2 -","- C84 H76 N4 S8 -","4","1","","Kröger, Denis; Brockmeyer, Fabian; Kahrs, Christoph","A three-component reaction for rapid access to underexplored 1,3-thiazine-2-thiones.","Organic & biomolecular chemistry","2015","13","26","7223","7229","10.1039/c5ob00377f","","","0.71073","MoKα","","0.0398","0.0337","","","0.0879","0.0911","","","","","","1.116","","","","has coordinates","143737","2020-10-21","18:00:00",""
"7154504","10.3443","0.0005","9.3521","0.0004","17.9838","0.0008","90","","96.879","0.0015","90","","1727.25","0.14","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2a","","- C19 H17 N O S2 -","- C19.003 H17.006 N1.001 O S2 -","- C76.012 H68.024 N4.004 O4 S8 -","4","1","","Kröger, Denis; Brockmeyer, Fabian; Kahrs, Christoph","A three-component reaction for rapid access to underexplored 1,3-thiazine-2-thiones.","Organic & biomolecular chemistry","2015","13","26","7223","7229","10.1039/c5ob00377f","","","0.71073","MoKα","","0.0488","0.0375","","","0.0949","0.1039","","","","","","1.108","","","","has coordinates,has disorder","143737","2020-10-21","18:00:00",""
"7154505","12.8835","0.0011","13.3978","0.0011","15.0065","0.0012","74.581","0.004","88.333","0.004","85.714","0.004","2490","0.4","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H15 F20 N5 O -","- C46 H15 F20 N5 O -","- C92 H30 F40 N10 O2 -","2","1","","Aguiar, António; Leite, Andreia; Silva, André M N; Tomé, Augusto C; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Silva, Ana M. G.","Isoxazolidine-fused meso-tetraarylchlorins as key tools for the synthesis of mono- and bis-annulated chlorins.","Organic & biomolecular chemistry","2015","13","26","7131","7135","10.1039/c5ob00800j","","","0.71073","MoKα","","0.092","0.057","","","0.1443","0.1585","","","","","","1.058","","","","has coordinates","143738","2020-10-21","18:00:00",""
"7154506","16.142","0.002","16.546","0.002","18.655","0.002","72.9","0.007","88.417","0.007","85.613","0.006","4748.2","1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H15 F18 N5 O -","- C46 H15 F18 N5 O -","- C184 H60 F72 N20 O4 -","4","2","","Aguiar, António; Leite, Andreia; Silva, André M N; Tomé, Augusto C; Cunha-Silva, Luís; de Castro, Baltazar; Rangel, Maria; Silva, Ana M. G.","Isoxazolidine-fused meso-tetraarylchlorins as key tools for the synthesis of mono- and bis-annulated chlorins.","Organic & biomolecular chemistry","2015","13","26","7131","7135","10.1039/c5ob00800j","","","0.71073","MoKα","","0.128","0.0706","","","0.1919","0.2129","","","","","","1.058","","","","has coordinates","143738","2020-10-21","18:00:00",""
"7154507","9.835","0.004","10.412","0.004","10.568","0.004","90","","97.195","0.006","90","","1073.7","0.7","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H30 B N O2 -","- C25 H30 B N O2 -","- C50 H60 B2 N2 O4 -","2","1","","Feng, Chao; Wang, Hong; Xu, Liang; Li, Pengfei","N-B dative bond-induced [3.3.0] bicyclic boronate-tethered exo-selective intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","26","7136","7139","10.1039/c5ob00917k","","","0.71073","MoKα","","0.0909","0.0537","","","0.0798","0.0903","","","","","","1.041","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154508","13.048","0.002","10.7891","0.0019","12.787","0.002","90","","112.161","0.002","90","","1667.1","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 B N O4 -","- C18 H20 B N O4 -","- C72 H80 B4 N4 O16 -","4","1","","Feng, Chao; Wang, Hong; Xu, Liang; Li, Pengfei","N-B dative bond-induced [3.3.0] bicyclic boronate-tethered exo-selective intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","26","7136","7139","10.1039/c5ob00917k","","","0.71073","MoKα","","0.074","0.0634","","","0.1492","0.1547","","","","","","1.098","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154509","21.3422","0.0005","8.1975","0.0002","8.0145","0.0002","90","","90","","90","","1402.16","0.06","150","2","150","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","2,6-Dichloro-3,5-diphenylpyridine","","- C17 H11 Cl2 N -","- C17 H11 Cl2 N -","- C68 H44 Cl8 N4 -","4","0.5","","Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter","Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine.","Organic & biomolecular chemistry","2015","13","24","6832","6838","10.1039/c5ob00866b","","","0.71073","MoKα","","0.0269","0.0255","","","0.0683","0.07","","","","","","1.082","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154510","14.577","0.0003","10.7855","0.0003","7.6172","0.0002","90","","102.298","0.001","90","","1170.1","0.05","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","3-Bromo-2,6-dichloro-5-(4-tolyl)pyridine","","- C12 H8 Br Cl2 N -","- C12 H8 Br Cl2 N -","- C48 H32 Br4 Cl8 N4 -","4","1","","Reimann, Sebastian; Parpart, Silvio; Ehlers, Peter; Sharif, Muhammad; Spannenberg, Anke; Langer, Peter","Synthesis of tetraarylpyridines by chemo-selective Suzuki-Miyaura reactions of 3,5-dibromo-2,6-dichloropyridine.","Organic & biomolecular chemistry","2015","13","24","6832","6838","10.1039/c5ob00866b","","","0.71073","MoKα","","0.0264","0.0212","","","0.0528","0.0547","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154511","8.5739","0.0012","8.8346","0.0011","12.8819","0.0017","85.544","0.003","78.226","0.003","80.599","0.003","941.4","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","Probe5","","- C21 H20 N6 O -","- C21 H20 N6 O -","- C42 H40 N12 O2 -","2","1","","Mishra, Pratryush Kumar; Saha, Tanmoy; Talukdar, Pinaki","Hydrogen sulfide mediated cascade reaction forming an iminocoumarin: applications in fluorescent probe development and live-cell imaging.","Organic & biomolecular chemistry","2015","13","27","7430","7436","10.1039/c5ob00785b","","","0.71073","MoKα","","0.0672","0.0424","","","0.1241","0.1429","","","","","","0.947","","","","has coordinates","143752","2020-10-21","18:00:00",""
"7154512","7.9698","0.0013","11.8816","0.0019","18.669","0.003","92.975","0.002","96.585","0.002","104.742","0.002","1692.3","0.5","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H35 N O2 S2 -","- C42 H35 N O2 S2 -","- C84 H70 N2 O4 S4 -","2","1","","Li, Ziyong; Han, Xie; Chen, Haiyan; Wu, Di; Hu, Fang; Liu, Sheng Hua; Yin, Jun","Construction of photoswitchable rotaxanes and catenanes containing dithienylethene fragments.","Organic & biomolecular chemistry","2015","13","26","7313","7322","10.1039/c5ob00864f","","","0.71073","MoKα","","0.0593","0.0475","","","0.1466","0.177","","","","","","1.085","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154513","9.4761","0.0003","6.4856","0.0002","19.7055","0.0006","90","","113.13","0.002","90","","1113.71","0.06","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O4 -","- C12 H16 O4 -","- C48 H64 O16 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","1.54178","CuKα","","0.0725","0.0697","","","0.1829","0.1866","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154514","13.5756","0.0009","6.3249","0.0002","21.7126","0.0014","90","","103.223","0.002","90","","1814.91","0.18","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bridge 2 allyl","","","- C21 H26 O4 -","- C21 H26 O4 -","- C84 H104 O16 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","0.71073","MoKα","","0.1676","0.0905","","","0.1933","0.24","","","","","","1.116","","","","has coordinates","143743","2020-10-21","18:00:00",""
"7154515","12.237","0.01","13.706","0.011","10.137","0.008","90","","110.864","0.016","90","","1589","2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Bridge 1 CH3 allyl COPh PG RB","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Boehringer, Régis; Geoffroy, Philippe; Miesch, Michel","Base catalyzed synthesis of bicyclo[3.2.1]octane scaffolds.","Organic & biomolecular chemistry","2015","13","25","6940","6943","10.1039/c5ob00933b","","","0.71073","MoKα","","0.1561","0.076","","","0.1989","0.2321","","","","","","1.037","","","","has coordinates","143743","2020-10-21","18:00:00",""
"7154516","6.59","0.001","14.579","0.001","25.484","0.001","90","","90","","90","","2448.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","R)-(9H-fluoren-9-yl)methyl 4-((R)-3-hydroxy-1-methoxy-1-oxopropan-2-yl)-2-isopropyl-3-oxo-3,4-dihydropyrazine-1-(2H)-carboxylate","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","1","","Lenci, Elena; Innocenti, Riccardo; Menchi, Gloria; Faggi, Cristina; Trabocchi, Andrea","Two-step one-pot synthesis of dihydropyrazinones as Xaa-Ser dipeptide isosteres through morpholine acetal rearrangement.","Organic & biomolecular chemistry","2015","13","25","7013","7019","10.1039/c5ob00783f","","","1.54178","CuKα","","0.1352","0.108","","","0.2858","0.3385","","","","","","1.176","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154517","12.699","0.0004","9.0798","0.0003","16.4608","0.0005","90","","101.323","0.001","90","","1861.06","0.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","5-(4-fluorophenyl)-8-methyl-4-(phenylamino)pyrano[3',4':5,6]pyrano[2,3-d]pyrimidin-6(5H)-one","","- C23 H16 F N3 O3 -","- C23 H16 F N3 O3 -","- C92 H64 F4 N12 O12 -","4","1","","Suresh, Lingala; Poornachandra, Y.; Kanakaraju, S.; Ganesh Kumar, C.; Chandramouli, G. V. P.","One-pot three-component domino protocol for the synthesis of novel pyrano[2,3-d]pyrimidines as antimicrobial and anti-biofilm agents.","Organic & biomolecular chemistry","2015","13","26","7294","7306","10.1039/c5ob00693g","","","0.71073","MoKα","","0.0736","0.0443","","","0.1191","0.1442","","","","","","1.06","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154518","10.476","0.0001","8.883","0.0001","18.154","0.0002","90","","90","","90","","1689.38","0.03","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O5 S -","- C17 H14 Br N O5 S -","- C68 H56 Br4 N4 O20 S4 -","4","1","","De Munck, Lode; Monleón, Alicia; Vila, Carlos; Muñoz, M Carmen; Pedro, José R","Enantioselective alkynylation of benzo[e][1,2,3]-oxathiazine 2,2-dioxides catalysed by (R)-VAPOL-Zn complexes: synthesis of chiral propargylic cyclic sulfamidates.","Organic & biomolecular chemistry","2015","13","27","7393","7396","10.1039/c5ob01012h","","","0.71073","MoKα","","0.0404","0.0285","","","0.0799","0.1","","","","","","1.09","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154519","28.643","0.006","11.259","0.002","19.703","0.004","90","","90.2","0.03","90","","6354","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H39.5 Cl N2 O1.25 -","- C39 H39 Cl N2 O1.25 -","- C312 H312 Cl8 N16 O10 -","8","1","","Ge, Qingmei; Li, Bin; Song, Haibin; Wang, Baiquan","Rhodium(iii)-catalyzed cascade oxidative annulation reactions of aryl imidazolium salts with alkynes involving multiple C-H bond activation.","Organic & biomolecular chemistry","2015","13","28","7695","7710","10.1039/c5ob00823a","","","0.71073","MoKα","","0.0919","0.0672","","","0.1703","0.187","","","","","","1.078","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154520","11.315","0.002","11.329","0.002","17.137","0.003","77.58","0.03","83.63","0.03","66.83","0.03","1971.5","0.8","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C44.5 H45 Cl4 N2 Rh -","- C44.5 H42 Cl4 N2 Rh -","- C89 H84 Cl8 N4 Rh2 -","2","1","","Ge, Qingmei; Li, Bin; Song, Haibin; Wang, Baiquan","Rhodium(iii)-catalyzed cascade oxidative annulation reactions of aryl imidazolium salts with alkynes involving multiple C-H bond activation.","Organic & biomolecular chemistry","2015","13","28","7695","7710","10.1039/c5ob00823a","","","0.71073","MoKα","","0.0965","0.0594","","","0.1428","0.2094","","","","","","1.162","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154521","15.6931","0.0003","21.8725","0.0004","5.0383","0.0001","90","","90","","90","","1729.38","0.06","133","2","133","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Jimenez-Aleman, Guillermo H; Machado, Ricardo A. R.; Görls, Helmar; Baldwin, Ian T.; Boland, Wilhelm","Synthesis, structural characterization and biological activity of two diastereomeric JA-Ile macrolactones.","Organic & biomolecular chemistry","2015","13","21","5885","5893","10.1039/c5ob00362h","","","0.71073","MoKα","","0.0617","0.0466","","","0.0881","0.0946","","","","","","1.164","","","","has coordinates","138462","2020-10-21","18:00:00",""
"7154522","5.7917","0.0003","15.4852","0.0007","18.6976","0.0009","90","","90","","90","","1676.91","0.14","133","2","133","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H27 N O4 -","- C18 H27 N O4 -","- C72 H108 N4 O16 -","4","1","","Jimenez-Aleman, Guillermo H; Machado, Ricardo A. R.; Görls, Helmar; Baldwin, Ian T.; Boland, Wilhelm","Synthesis, structural characterization and biological activity of two diastereomeric JA-Ile macrolactones.","Organic & biomolecular chemistry","2015","13","21","5885","5893","10.1039/c5ob00362h","","","0.71073","MoKα","","0.0309","0.0296","","","0.0749","0.0759","","","","","","1.031","","","","has coordinates","138462","2020-10-21","18:00:00",""
"7154523","19.775","0.006","18.874","0.008","16.723","0.004","90","","114.545","0.015","90","","5678","3","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","2-DEM-3NO2-TtBuPCorrCu","","","- C57.65 H57.65 Cl4.94 Cu N5 O6 -","- C57.647 H57.647 Cl4.941 Cu N5 O6 -","- C230.588 H230.588 Cl19.764 Cu4 N20 O24 -","4","1","","Stefanelli, M.; Mandoj, F.; Nardis, S.; Raggio, M.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","Corrole and nucleophilic aromatic substitution are not incompatible: a novel route to 2,3-difunctionalized copper corrolates.","Organic & biomolecular chemistry","2015","13","23","6611","6618","10.1039/c5ob00659g","","","1.54184","CuKα","","0.1248","0.0742","","","0.1916","0.2211","","","","","","1.026","","","","has coordinates,has disorder","138463","2020-10-21","18:00:00",""
"7154524","10.989","0.003","12.217","0.0018","18.019","0.003","95.03","0.01","107.036","0.015","91.279","0.007","2301.1","0.8","90","0.5","90","0.5","","","","","","","","6","P -1","-P 1","2","","","","- C52 H51 Cl3 Cu N5 O3 -","- C52 H51 Cl3 Cu N5 O3 -","- C104 H102 Cl6 Cu2 N10 O6 -","2","1","","Stefanelli, M.; Mandoj, F.; Nardis, S.; Raggio, M.; Fronczek, F. R.; McCandless, G. T.; Smith, K. M.; Paolesse, R.","Corrole and nucleophilic aromatic substitution are not incompatible: a novel route to 2,3-difunctionalized copper corrolates.","Organic & biomolecular chemistry","2015","13","23","6611","6618","10.1039/c5ob00659g","","","1.54184","CuKα","","0.0936","0.0676","","","0.1878","0.2056","","","","","","1.048","","","","has coordinates","138463","2020-10-21","18:00:00",""
"7154525","20.3839","0.0014","6.2114","0.0003","25.511","0.0016","90","","97.442","0.006","90","","3202.8","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H25 N O2 -","- C19 H25 N O2 -","- C152 H200 N8 O16 -","8","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","1.54184","CuKα","","0.0773","0.0649","","","0.173","0.1856","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154526","6.2083","0.0002","12.6788","0.0005","21.052","0.0009","90","","91.476","0.003","90","","1656.53","0.11","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","0.71073","MoKα","","0.1318","0.0781","","","0.1221","0.1385","","","","","","1.091","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154527","8.744","0.0003","10.4501","0.0004","20.1688","0.0006","100.027","0.003","98.395","0.003","104.657","0.003","1720.44","0.11","150","2","150.15","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H50 N2 O6 -","- C38 H50 N2 O6 -","- C76 H100 N4 O12 -","2","1","","Coe, Samuel; Pereira, Nicole; Geden, Joanna V.; Clarkson, Guy J.; Fox, David J.; Napier, Richard M.; Neve, Paul; Shipman, Michael","Ring closing metathesis reactions of α-methylene-β-lactams: application to the synthesis of a simplified phyllostictine analogue with herbicidal activity.","Organic & biomolecular chemistry","2015","13","28","7655","7663","10.1039/c5ob00890e","","","1.5418","CuKα","","0.0451","0.0417","","","0.1187","0.1229","","","","","","1.042","","","","has coordinates","143755","2020-10-21","18:00:00",""
"7154528","7.071","0.003","30.185","0.011","12.789","0.005","90","","93.497","0.006","90","","2724.6","1.9","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-phenylpyridine derived five-membered manganacycle","","- C15 H8 Mn N O4 -","- C15 H8 Mn N O4 -","- C120 H64 Mn8 N8 O32 -","8","2","","Geng, Xiaoyu; Wang, Congyang","Rhenium-catalyzed C-H aminocarbonylation of azobenzenes with isocyanates.","Organic & biomolecular chemistry","2015","13","28","7619","7623","10.1039/c5ob01121c","","","0.71073","MoKα","","0.0666","0.0557","","","0.1381","0.145","","","","","","1.112","","","","has coordinates","143756","2020-10-21","18:00:00",""
"7154529","7.77818","0.00014","13.158","0.0003","16.9759","0.0003","90","","90","","90","","1737.4","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","bypro179a","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Ishida, Hiroaki; Kimura, Shinya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","The first asymmetric total synthesis of lycoposerramine-R.","Organic & biomolecular chemistry","2015","13","28","7762","7771","10.1039/c5ob00827a","","","1.54187","CuKα","","","0.034","","","","0.0671","","","","","","1.084","","","","has coordinates","143759","2020-10-21","18:00:00",""
"7154530","7.63463","0.00014","11.4385","0.0002","19.919","0.0004","90","","90","","90","","1739.5","0.06","93","","93","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","179","","- C20 H24 Br N O2 -","- C20 H24 Br N O2 -","- C80 H96 Br4 N4 O8 -","4","1","","Ishida, Hiroaki; Kimura, Shinya; Kogure, Noriyuki; Kitajima, Mariko; Takayama, Hiromitsu","The first asymmetric total synthesis of lycoposerramine-R.","Organic & biomolecular chemistry","2015","13","28","7762","7771","10.1039/c5ob00827a","","","1.54187","CuKα","","","0.0455","","","","0.0952","","","","","","1.008","","","","has coordinates","143759","2020-10-21","18:00:00",""
"7154531","11.917","0.003","15.959","0.004","25.657","0.005","72.399","0.015","76.618","0.015","71.646","0.012","4364.2","1.8","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C46 H42 Br2 O2 Si2 -","- C46 H42 Br2 O2 Si2 -","- C184 H168 Br8 O8 Si8 -","4","2","","Li, Xiao-Jun; Li, Meng; Lu, Hai-Yan; Chen, Chuan-Feng","A dinaphtho[8,1,2-cde:2',1',8'-uva]pentacene derivative and analogues: synthesis, structures, photophysical and electrochemical properties.","Organic & biomolecular chemistry","2015","13","28","7628","7632","10.1039/c5ob01008j","","","0.71073","MoKα","","0.0906","0.0741","","","0.1773","0.1898","","","","","","1.087","","","","has coordinates","143754","2020-10-21","18:00:00",""
"7154532","11.361","0.005","12.402","0.005","15.056","0.005","72.031","0.018","82.67","0.02","89.49","0.03","2000.4","1.4","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C49 H44 O3 Si2 -","- C49 H44 O3 Si2 -","- C98 H88 O6 Si4 -","2","1","","Li, Xiao-Jun; Li, Meng; Lu, Hai-Yan; Chen, Chuan-Feng","A dinaphtho[8,1,2-cde:2',1',8'-uva]pentacene derivative and analogues: synthesis, structures, photophysical and electrochemical properties.","Organic & biomolecular chemistry","2015","13","28","7628","7632","10.1039/c5ob01008j","","","0.71073","MoKα","","0.148","0.1175","","","0.3062","0.3362","","","","","","1.114","","","","has coordinates","143754","2020-10-21","18:00:00",""
"7154533","8.6074","0.0005","9.9108","0.0005","15.7203","0.0009","80.998","0.003","89.343","0.003","78.842","0.003","1299.24","0.13","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H28 N4 O2 -","- C32 H28 N4 O2 -","- C64 H56 N8 O4 -","2","1","","Sun, Yan-Hua; Xiong, Yu; Peng, Chu-Qin; Li, Wu; Xiao, Jun-An; Yang, Hua","Highly stereoselective construction of novel dispirooxindole-imidazolidines via self-1,3-dipolar cyclization of ketimines.","Organic & biomolecular chemistry","2015","13","29","7907","7910","10.1039/c5ob00954e","","","0.71073","MoKα","","0.0586","0.0482","","","0.1324","0.1422","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154534","9.2098","0.0001","8.357","0.0001","14.8849","0.0002","90","","105.378","0.001","90","","1104.62","0.02","130","","130","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H28 N2 -","- C28 H28 N2 -","- C56 H56 N4 -","2","1","","Gong, Yu-Xin; Wu, Qiong; Zhang, Hong-Hao; Zhu, Qiu-Ning; Shi, Feng","Enantioselective construction of a 2,2'-bisindolylmethane scaffold via catalytic asymmetric reactions of 2-indolylmethanols with 3-alkylindoles.","Organic & biomolecular chemistry","2015","13","29","7993","8000","10.1039/c5ob00815h","","","1.54178","CuKα","","0.0446","0.044","","","0.1186","0.1193","","","","","","1.049","","","","has coordinates","153276","2020-10-21","18:00:00",""
"7154535","6.6012","0.0004","8.1654","0.0006","19.8307","0.0013","84.197","0.005","84.853","0.005","85.592","0.005","1056.66","0.12","190","2","190","2","","","","","","","fungus Chaunopycnis sp.","4","P 1","P 1","1","","chaunolidine C","","- C22 H29 N O5 -","- C22 H29 N O5 -","- C44 H58 N2 O10 -","2","2","","Shang, Zhuo; Li, Li; Espósito, Breno P; Salim, Angela A.; Khalil, Zeinab G.; Quezada, Michelle; Bernhardt, Paul V.; Capon, Robert J.","New PKS-NRPS tetramic acids and pyridinone from an Australian marine-derived fungus, Chaunopycnis sp.","Organic & biomolecular chemistry","2015","13","28","7795","7802","10.1039/c5ob01058f","","x-ray","1.54184","CuKα","","0.092","0.0658","","","0.1664","0.1858","","","","","","1.031","","","","has coordinates","143758","2020-10-21","18:00:00",""
"7154536","10.554","0.002","12.782","0.003","12.959","0.003","79.295","0.004","67.9","0.004","76.462","0.004","1565.5","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 O3 P2 -","- C34 H26 O3 P2 -","- C68 H52 O6 P4 -","2","1","","Hu, Gaobo; Zhang, Yun; Su, Jue; Li, Zezhou; Gao, Yuxing; Zhao, Yufen","Ag-mediated cascade decarboxylative coupling and annulation: a convenient route to 2-phosphinobenzo[b]phosphole oxides.","Organic & biomolecular chemistry","2015","13","30","8221","8231","10.1039/c5ob00959f","","","0.71073","MoKα","","0.0576","0.0519","","","0.1347","0.1387","","","","","","1.084","","","","has coordinates","153265","2020-10-21","18:00:00",""
"7154537","9.8463","0.0002","9.1987","0.0002","18.7908","0.0005","90","","92.473","0.001","90","","1700.36","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O5 S Si -","- C15 H17 N O5 S Si -","- C60 H68 N4 O20 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0402","0.0358","","","0.0977","0.1011","","","","","","1.039","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154538","13.5825","0.0003","10.5322","0.0002","12.858","0.0003","90","","101.968","0.002","90","","1799.4","0.07","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N2 O7 S Si -","- C15 H16 N2 O7 S Si -","- C60 H64 N8 O28 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0437","0.0367","","","0.0961","0.1016","","","","","","1.036","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154539","5.3555","0.0006","12.807","0.0014","16.0563","0.0015","90","","96.773","0.008","90","","1093.6","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C8 H6 F3 N O5 S -","- C8 H6 F3 N O5 S -","- C32 H24 F12 N4 O20 S4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.5418","CuKα","","0.0968","0.0703","","","0.1827","0.2202","","","","","","1.036","","","","has coordinates","153279","2020-10-21","18:00:00",""
"7154540","20.5236","0.0009","7.6948","0.0003","18.8253","0.0009","90","","96.529","0.002","90","","2953.7","0.2","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C12 H9 N O3 -","- C12 H9 N O3 -","- C144 H108 N12 O36 -","12","3","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0465","0.0441","","","0.1187","0.1211","","","","","","1.033","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154541","13.2148","0.0002","10.9938","0.0002","12.0527","0.0002","90","","111.879","0.001","90","","1624.91","0.05","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O5 S Si -","- C14 H16 N2 O5 S Si -","- C56 H64 N8 O20 S4 Si4 -","4","1","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0313","0.0289","","","0.0791","0.0807","","","","","","1.049","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154542","15.6137","0.0004","7.7484","0.0002","21.2252","0.0005","90","","110.192","0.001","90","","2410.03","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H10 N2 O5 -","- C13 H10 N2 O5 -","- C104 H80 N16 O40 -","8","2","","Rasheed, O. K.; Hardcastle, I. R.; Raftery, J.; Quayle, P.","Aryne generation vs. Truce-Smiles and fries rearrangements during the Kobayashi fragmentation reaction: a new bi-aryl synthesis.","Organic & biomolecular chemistry","2015","13","29","8048","8052","10.1039/c5ob01239b","","","1.54178","CuKα","","0.0475","0.0448","","","0.1116","0.1131","","","","","","1.081","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154543","7.4947","0.0011","13.0618","0.0018","21.098","0.003","90","","90","","90","","2065.4","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","2-methyl-3-nitropyrazolo[1,5-a]quinoline","","- C12 H9 N3 O2 -","- C12 H9 N3 O2 -","- C96 H72 N24 O16 -","8","1","","Obulesu, Owk; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper (Cu) catalysed N-arylation-vinylogous nitroaldol condensation of 3,5-disubstituted 4-nitropyrazoles.","Organic & biomolecular chemistry","2015","13","30","8232","8240","10.1039/c5ob01011j","","","0.71073","MoKα","","0.0876","0.084","","","0.1622","0.1637","","","","","","1.399","","","","has coordinates","153266","2020-10-21","18:00:00",""
"7154544","7.1508","0.001","9.6154","0.0014","10.0654","0.0014","82.965","0.002","70.019","0.002","87.23","0.002","645.5","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2,10-dimethyl-3-nitro-10H-pyrazolo[1',5':1,6]pyrido[2,3-b]indole","","- C15 H12 N4 O2 -","- C15 H12 N4 O2 -","- C30 H24 N8 O4 -","2","1","","Obulesu, Owk; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Tandem copper (Cu) catalysed N-arylation-vinylogous nitroaldol condensation of 3,5-disubstituted 4-nitropyrazoles.","Organic & biomolecular chemistry","2015","13","30","8232","8240","10.1039/c5ob01011j","","","0.71073","MoKα","","0.0666","0.0568","","","0.1339","0.1411","","","","","","1.155","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154545","8.7342","0.0002","12.9336","0.0003","27.4037","0.0005","90","","90","","90","","3095.65","0.12","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","AntValA2DNS","","","- C34 H38 N4 O3 S -","- C34 H38 N4 O3 S -","- C136 H152 N16 O12 S4 -","4","1","","Saura, A. Vanessa; Marín, María J; Burguete, M. Isabel; Russell, David A.; Galindo, Francisco; Luis, Santiago V.","The synthesis of new fluorescent bichromophoric compounds as ratiometric pH probes for intracellular measurements.","Organic & biomolecular chemistry","2015","13","28","7736","7749","10.1039/c5ob00704f","","x-ray","1.54184","CuKα","","0.0321","0.0312","","","0.0838","0.0847","","","","","","1.039","","","","has coordinates","143762","2020-10-21","18:00:00",""
"7154546","8.42","0.0012","10.1497","0.0007","11.203","0.0017","66.531","0.011","88.054","0.012","88.057","0.01","877.5","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","dimethyl 4-((2-bromophenyl)amino)quinoline-2,3-dicarboxylate","","- C19 H16 Br N2 O4 -","- C19 H16 Br N2 O4 -","- C38 H32 Br2 N4 O8 -","2","1","","Vidyacharan, Shinde; Sagar, A.; Sharada, Duddu S.","A new route for the synthesis of highly substituted 4-aminoquinoline drug like molecules via aza hetero-Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","28","7614","7618","10.1039/c5ob01023c","","","0.71073","MoKα","","0.0717","0.0453","","","0.1068","0.1224","","","","","","1.032","","","","has coordinates","143761","2020-10-21","18:00:00",""
"7154547","19.3579","0.0011","10.6509","0.0006","16.8297","0.0014","90","","94.958","0.007","90","","3456.9","0.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","4-aminoquinoline","dimethyl 4-(benzylamino)quinoline-2,3-dicarboxylate","","- C20 H18 N2 O4 -","- C20 H18 N2 O4 -","- C160 H144 N16 O32 -","8","1","","Vidyacharan, Shinde; Sagar, A.; Sharada, Duddu S.","A new route for the synthesis of highly substituted 4-aminoquinoline drug like molecules via aza hetero-Diels-Alder reaction.","Organic & biomolecular chemistry","2015","13","28","7614","7618","10.1039/c5ob01023c","","","1.5418","CuKα","","0.0888","0.0564","","","0.1409","0.1702","","","","","","0.934","","","","has coordinates","143761","2020-10-21","18:00:00",""
"7154548","17.4761","0.0005","8.0976","0.0002","22.1564","0.0007","90","","111.715","0.001","90","","2912.95","0.14","296","2","296","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C31 H25 B F2 N5 O8 S -","- C31 H24 B F2 N5 O8 S -","- C124 H96 B4 F8 N20 O32 S4 -","4","1","","Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki","Lysosome targeting fluorescence probe for imaging intracellular thiols.","Organic & biomolecular chemistry","2015","13","30","8163","8168","10.1039/c5ob00889a","","","1.54178","CuKα","","0.0448","0.0434","","","0.1142","0.1156","","","","","","1.045","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154549","14.8291","0.0004","12.6719","0.0003","21.3493","0.0006","90","","90","","90","","4011.81","0.18","296","2","296","2","","","","","","","","8","P b c n","-P 2n 2ab","60","","","","- C19 H17 B Br Cl2 F2 N3 O2 -","- C19 H17 B Br F2 N3 O2 -","- C152 H136 B8 Br8 F16 N24 O16 -","8","1","","Kand, Dnyaneshwar; Saha, Tanmoy; Lahiri, Mayurika; Talukdar, Pinaki","Lysosome targeting fluorescence probe for imaging intracellular thiols.","Organic & biomolecular chemistry","2015","13","30","8163","8168","10.1039/c5ob00889a","","","1.54178","CuKα","","0.2562","0.2522","","","0.6214","0.6287","","","","","","6.502","","","","has coordinates","153261","2020-10-21","18:00:00",""
"7154550","8.1907","0.0016","9.4346","0.0019","32.024","0.006","90","","93.32","0.03","90","","2470.5","0.8","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C120 H104 N16 O8 -","4","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","One-pot synthesis of spiropyrroloquinoline-isoindolinone and their aza-analogs via the Ugi-4CR/metal-free intramolecular bis-annulation process.","Organic & biomolecular chemistry","2015","13","30","8211","8220","10.1039/c5ob01095k","","","0.71073","MoKα","","0.114","0.0756","","","0.146","0.1663","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154551","11.299","0.002","11.724","0.002","14.051","0.003","104.1","0.03","103.64","0.03","108.92","0.03","1604","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H36 N4 O3 S -","- C36 H36 N4 O3 S -","- C72 H72 N8 O6 S2 -","2","1","","Ghandi, Mehdi; Zarezadeh, Nahid; Abbasi, Alireza","One-pot synthesis of spiropyrroloquinoline-isoindolinone and their aza-analogs via the Ugi-4CR/metal-free intramolecular bis-annulation process.","Organic & biomolecular chemistry","2015","13","30","8211","8220","10.1039/c5ob01095k","","","0.71073","MoKα","","0.064","0.0554","","","0.1522","0.1607","","","","","","1.051","","","","has coordinates","153263","2020-10-21","18:00:00",""
"7154552","10.1192","0.0002","11.3017","0.0002","25.1913","0.0005","90","","97.8403","0.0009","90","","2854.05","0.09","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(5,7-Bis(4'-propylbiphenyl-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methanol","","- C37 H36 O3 S -","- C36.154 H34.308 O2.718 S -","- C144.616 H137.232 O10.872 S4 -","4","1","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.0874","0.0522","","","0.1261","0.1429","","","","","","1.036","","","","has coordinates,has disorder","153272","2020-10-21","18:00:00",""
"7154553","11.9644","0.0003","12.3239","0.0004","13.9643","0.0005","86.2826","0.001","65.3443","0.0012","88.544","0.003","1867.35","0.1","90","","90","","","","","","","","","4","P -1","-P 1","2","","1,1'-(4,4'-(2-(Hydroxymethyl)-2,3-dihydrothieno[3,4-b][1,4]dioxine-5,7-diyl)bis(4,1-phenylene))diethanone","","- C23 H20 O5 S -","- C22.6625 H19.325 O4.7795 S -","- C90.65 H77.3 O19.118 S4 -","4","2","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.0955","0.0585","","","0.1405","0.1575","","","","","","1.022","","","","has coordinates,has disorder","153272","2020-10-21","18:00:00",""
"7154554","10.864","0.002","10.911","0.002","30.296","0.006","86.07","0.03","88.87","0.03","62.68","0.03","3182.8","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","2-((5,7-Bis(4'-propylbiphenyl-4-yl)-2,3-dihydrothieno[3,4-b][1,4]dioxin-2-yl)methoxy)acetic acid","","- C39 H38 O5 S -","- C39 H38 O5 S -","- C156 H152 O20 S4 -","4","2","","Liu, Ching-Yuan; Chong, Hui; Lin, Hsing-An; Yamashita, Yoshiro; Zhang, Bin; Huang, Kuo-Wei; Hashizume, Daizuke; Yu, Hsiao-Hua","Palladium-catalyzed direct C-H arylations of dioxythiophenes bearing reactive functional groups: a step-economical approach for functional π-conjugated oligoarenes.","Organic & biomolecular chemistry","2015","13","31","8505","8511","10.1039/c5ob00705d","","","0.71073","MoKα","","0.1368","0.1028","","","0.2286","0.2503","","","","","","1.089","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154555","7.8734","0.0002","17.4148","0.0005","14.5347","0.0004","90","","91.013","0.003","90","","1992.59","0.09","125","30","125","30","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H38 N O15 -","- C43 H38 N4 O15 -","- C86 H76 N8 O30 -","2","1","","Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H.; Andersen, Ole Juul; Jensen, Frank; Jensen, Henrik H.","Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors.","Organic & biomolecular chemistry","2015","13","29","7979","7992","10.1039/c5ob01062d","","","0.71073","MoKα","","0.0554","0.0454","","","0.1004","0.1087","","","","","","1.131","","","","has coordinates","204143","2020-10-21","18:00:00",""
"7154556","9.3233","0.0006","10.2871","0.0008","26.846","0.002","90","","90","","90","","2574.8","0.3","100","0.2","100","0.2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H34 O5 -","- C29 H34 O5 -","- C116 H136 O20 -","4","1","","Salamone, Stéphane; Clement, Lise L.; Viuff, Agnete H.; Andersen, Ole Juul; Jensen, Frank; Jensen, Henrik H.","Synthesis and evaluation of galacto-noeurostegine and its 2-deoxy analogue as glycosidase inhibitors.","Organic & biomolecular chemistry","2015","13","29","7979","7992","10.1039/c5ob01062d","","x-ray","0.71073","MoKα","","0.0955","0.0492","","","0.1052","0.1273","","","","","","1.028","","","","has coordinates","153280","2020-10-21","18:00:00",""
"7154557","7.4496","0.0001","11.1966","0.0001","26.6185","0.0002","90","","90","","90","","2220.25","0.04","213","","213","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3R,4S,5R,6S)-4-((tert-Butyldimethylsilyl)oxy)-6-((S,E)-4-iodobut-3-en-2-yl)-3-methoxy-5-methyltetrahydro-2H-pyran-2-one","","- C17 H16 I O4 Si -","- C17 H16 I O4 Si -","- C68 H64 I4 O16 Si4 -","4","1","","Lu, Hai-Hua; Hinkelmann, Bettina; Tautz, Thomas; Li, Jun; Sasse, Florenz; Franke, Raimo; Kalesse, Markus","Paleo-soraphens: chemical total syntheses and biological studies.","Organic & biomolecular chemistry","2015","13","29","8029","8036","10.1039/c5ob01249j","","","1.54187","CuKα","","0.0636","0.0524","","","0.1471","0.154","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154558","7.73264","0.00017","8.92045","0.00017","20.1079","0.0004","90","","90","","90","","1387.02","0.05","173","0.3","173","0.3","","","","","","","Curcuma phaeocaulis Valeton","3","P 21 21 21","P 2ac 2ab","19","(1S, 4S, 6R, 10S)-1-hydroxysalvial-7(11)-ene-5,8-dione","phasalvione","","- C15 H22 O3 -","- C15 H22 O3 -","- C60 H88 O12 -","4","1","","Ma, Jiang-Hao; Zhao, Feng; Wang, Ying; Liu, Yue; Gao, Su-Yu; Ding, Li-Qin; Chen, Li-Xia; Qiu, Feng","Natural nitric oxide (NO) inhibitors from the rhizomes of Curcuma phaeocaulis.","Organic & biomolecular chemistry","2015","13","30","8349","8358","10.1039/c5ob00964b","","x-ray","1.54184","CuKα","","0.0296","0.029","","","0.0775","0.0781","","","","","","1.046","","","","has coordinates","153262","2020-10-21","18:00:00",""
"7154559","16.4668","0.001","19.1843","0.0012","21.8267","0.0013","90","","110.312","0.002","90","","6466.4","0.7","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C42 H68 Cl4 N26 O23 Zn -","- C42 H56 Cl4 N26 O17 Zn -","- C168 H224 Cl16 N104 O68 Zn4 -","4","1","","Zhang, De-Qing; Lin, Rui-Lian; Sun, Wen-Qi; Tao, Zhu; Zhu, Qian-Jian; Liu, Jing-Xin","Mixed behavior of p-phenylenediaminium guest binding with the inverted cucurbit[6]uril host.","Organic & biomolecular chemistry","2015","13","30","8330","8334","10.1039/c5ob01074h","","","0.71073","MoKα","","0.0953","0.0751","","","0.2273","0.2428","","","","","","1.02","","","","has coordinates","187625","2020-10-21","18:00:00",""
"7154560","23.4746","0.0018","10.5039","0.0008","15.455","0.002","90","","129.108","0.002","90","","2957","0.5","223","2","223","2","","","","","","","","6","C 1 2/m 1","-C 2y","12","","","","- C42 H58 Cl4 N26 O18 Zn -","- C42 H44 Cl4 N26 O12 Zn -","- C84 H88 Cl8 N52 O24 Zn2 -","2","0.25","","Zhang, De-Qing; Lin, Rui-Lian; Sun, Wen-Qi; Tao, Zhu; Zhu, Qian-Jian; Liu, Jing-Xin","Mixed behavior of p-phenylenediaminium guest binding with the inverted cucurbit[6]uril host.","Organic & biomolecular chemistry","2015","13","30","8330","8334","10.1039/c5ob01074h","","","0.71073","MoKα","","0.1063","0.093","","","0.2908","0.3129","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154561","6.8274","0.0002","8.3498","0.0002","14.5138","0.0004","90.1471","0.001","101.323","0.001","107.632","0.0009","771.47","0.04","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H15 Br N2 O -","- C17 H15 Br N2 O -","- C34 H30 Br2 N4 O2 -","2","1","","Manna, Susanta Kumar; Mandal, Arabinda; Mondal, Suresh Kumar; Adak, Arup Kr; Jana, Akash; Das, Somnath; Chattopadhyay, Sourav; Roy, Somenath; Ghorai, Shyamal Kr; Samanta, Shubhankar; Hossain, Maidul; Baidya, Mahiuddin","Pyrido[1,2-a]pyrimidinium ions - a novel bridgehead nitrogen heterocycles: synthesis, characterisation, and elucidation of DNA binding and cell imaging properties.","Organic & biomolecular chemistry","2015","13","29","8037","8047","10.1039/c5ob01082a","","","0.71073","MoKα","","0.0406","0.0394","","","0.1194","0.1211","","","","","","1.135","","","","has coordinates","153275","2020-10-21","18:00:00",""
"7154562","7.4871","0.0008","12.1721","0.0012","16.4565","0.0017","90","","94.653","0.002","90","","1494.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","N-Methyl-N-(8-dimethylaminonaphth-1-yl)aminoacetic acid hydrobromide","","","- C15 H19 Br N2 O2 -","- C15 H19 Br N2 O2 -","- C60 H76 Br4 N8 O8 -","4","1","","Ozeryanskii, Valery A.; Gorbacheva, Anastasia Yu; Pozharskii, Alexander F.; Vlasenko, Marina P.; Tereznikov, Alexander Yu; Chernov'yants, Margarita S.","The first proton sponge-based amino acids: synthesis, acid-base properties and some reactivity.","Organic & biomolecular chemistry","2015","13","31","8524","8532","10.1039/c5ob01065a","","","0.71073","MoKα","","0.058","0.0448","","","0.1157","0.1213","","","","","","1.009","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154563","7.0938","0.0003","11.5502","0.0005","18.1965","0.0009","90","","90","","90","","1490.93","0.12","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,1,3-Trimethyl-2,3-dihydro-1H-perimidin-1-ium bromide","","","- C14 H21 Br N2 O2 -","- C14 H21 Br N2 O2 -","- C56 H84 Br4 N8 O8 -","4","1","","Ozeryanskii, Valery A.; Gorbacheva, Anastasia Yu; Pozharskii, Alexander F.; Vlasenko, Marina P.; Tereznikov, Alexander Yu; Chernov'yants, Margarita S.","The first proton sponge-based amino acids: synthesis, acid-base properties and some reactivity.","Organic & biomolecular chemistry","2015","13","31","8524","8532","10.1039/c5ob01065a","","","0.71073","MoKα","","0.0275","0.0228","","","0.046","0.0476","","","","","","1.015","","","","has coordinates","153270","2020-10-21","18:00:00",""
"7154564","10.919","0.002","21.054","","21.054","0.004","90","","90","","90","","4840.1","1.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","2","","Huang, Zhimei; Hu, Junhao; Gong, Yuefa","Formation and aromatization of strained bicyclic pyrazolidines via tandem reaction of alkyl 2-aroyl-1-chlorocyclopropanecarboxylates with acylhydrazones.","Organic & biomolecular chemistry","2015","13","31","8561","8566","10.1039/c5ob01199j","","","0.71073","MoKα","","0.0723","0.0392","","","0.0861","0.1016","","","","","","1.011","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154565","4.4366","0.0004","7.095","0.0007","14.0927","0.0014","91.198","0.003","95.948","0.002","97.185","0.002","437.49","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H18 N2 S6 -","- C14 H18 N2 S6 -","- C14 H18 N2 S6 -","1","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","","0.71073","MoKα","","0.0247","0.0218","","","0.0673","0.084","","","","","","1.269","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154566","8.369","0.003","10.336","0.002","21.421","0.007","90","","90","","90","","1853","1","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H10 N2 S6 -","- C18 H10 N2 S6 -","- C72 H40 N8 S24 -","4","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0847","0.0614","","","0.1344","0.1443","","","","","","1.076","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154567","6.8237","0.0005","8.5474","0.0007","22.3448","0.0015","90","","90","","90","","1303.26","0.17","150","2","150","2","","","","","","","synthesis as described","5","P c a b","-P 2bc 2ac","61","","","","- C10 H10 N2 O2 S4 -","- C10 H10 N2 O2 S4 -","- C40 H40 N8 O8 S16 -","4","0.5","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0556","0.0328","","","0.0721","0.0798","","","","","","1.037","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154568","9.8293","0.0005","10.139","0.0005","15.9153","0.0007","90","","90","","90","","1586.11","0.13","150","2","150","2","","","","","","","synthesis as described","5","P n a 21","P 2c -2n","33","","","","- C15 H15 N S4 Ti -","- C15 H15 N S4 Ti -","- C60 H60 N4 S16 Ti4 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0271","0.0259","","","0.0663","0.0676","","","","","","0.722","","","","has coordinates","153274","2020-10-21","18:00:00",""
"7154569","10.4066","0.0003","7.3334","0.0002","12.2408","0.0004","90","","104.422","0.002","90","","904.73","0.05","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C6 H5 N O S4 -","- C6 H5 N O S4 -","- C24 H20 N4 O4 S16 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0282","0.0256","","","0.0616","0.0627","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154570","9.5493","0.0005","8.4524","0.0005","14.3009","0.0008","90","","104.898","0.003","90","","1115.49","0.11","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H5 N O S4 -","- C10 H5 N O S4 -","- C40 H20 N4 O4 S16 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.037","0.0315","","","0.075","0.0782","","","","","","1.061","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154571","8.5086","0.0016","9.106","0.003","11.589","0.002","90","","110.442","0.008","90","","841.4","0.4","150","2","150","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O2 S3 -","- C6 H5 N O2 S3 -","- C24 H20 N4 O8 S12 -","4","1","","Le Gal, Y.; Ameline, D.; Bellec, N.; Vacher, A.; Roisnel, T.; Dorcet, V.; Jeannin, O.; Lorcy, D.","Efficient routes towards a series of 5,5'-bithiazolidinylidenes as π-electron acceptors.","Organic & biomolecular chemistry","2015","13","31","8479","8486","10.1039/c5ob01169h","","x-ray","0.71073","MoKα","","0.0384","0.033","","","0.0787","0.0816","","","","","","1.05","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154572","7.3417","0.001","10.0649","0.0014","10.3982","0.0014","75.006","0.004","89.015","0.004","78.726","0.004","727.42","0.17","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H13 F4 N O -","- C17 H13 F4 N O -","- C34 H26 F8 N2 O2 -","2","1","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.0819","0.0481","","","0.1194","0.1373","","","","","","1.033","","","","has coordinates","182221","2020-10-21","18:00:00",""
"7154573","12.8017","0.0008","9.6398","0.0006","15.4464","0.001","90","","105.362","0.004","90","","1838.1","0.2","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 F3 N O -","- C22 H16 F3 N O -","- C88 H64 F12 N4 O4 -","4","1","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.1246","0.0563","","","0.1264","0.1525","","","","","","1.012","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154574","16.972","0.003","11.3201","0.0016","18.722","0.003","90","","98.676","0.005","90","","3555.8","1","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 F3 N O -","- C22 H16 F3 N O -","- C176 H128 F24 N8 O8 -","8","2","","Jana, Sadhan; Ashokan, Athira; Kumar, Shailesh; Verma, Ajay; Kumar, Sangit","Copper-catalyzed trifluoromethylation of alkenes: synthesis of trifluoromethylated benzoxazines.","Organic & biomolecular chemistry","2015","13","31","8411","8415","10.1039/c5ob01196e","","x-ray","0.71073","MoKα","","0.1296","0.0842","","","0.2066","0.2331","","","","","","1.149","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154575","12.1151","0.0006","11.4278","0.0005","18.5077","0.0009","90","","93.294","0.002","90","","2558.1","0.2","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","OBR-C15H18N3O6P","","- C17 H20 Cl6 N3 O6 P -","- C17 H20 Cl6 N3 O6 P -","- C68 H80 Cl24 N12 O24 P4 -","4","1","","Shelke, Anil M.; Suryavanshi, Gurunath","An efficient one pot regioselective synthesis of a 3,3'-spiro-phosphonylpyrazole-oxindole framework via base mediated [1,3]-dipolar cycloaddition reaction of the Bestmann-Ohira reagent with methyleneindolinones.","Organic & biomolecular chemistry","2015","13","32","8669","8675","10.1039/c5ob01020a","","","0.71073","MoKα","","0.0999","0.0776","","","0.1672","0.1794","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154576","9.0122","0.0004","10.2941","0.0006","10.6266","0.0006","75.079","0.005","73.655","0.004","75.04","0.005","895.6","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 O4 S -","- C22 H20 O4 S -","- C44 H40 O8 S2 -","2","1","","Barrett, Matthew J.; Davies, Paul W.; Grainger, Richard S.","Regioselective functionalisation of dibenzothiophenes through gold-catalysed intermolecular alkyne oxyarylation.","Organic & biomolecular chemistry","2015","13","32","8676","8686","10.1039/c5ob01241d","","","1.54184","CuKα","","0.0309","0.029","","","0.0722","0.0733","","","","","","1.046","","","","has coordinates","153281","2020-10-21","18:00:00",""
"7154577","11.8946","0.0017","9.771","0.0006","14.6459","0.0014","90","","94.988","0.009","90","","1695.7","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 F3 -","- C22 H17 F3 -","- C88 H68 F12 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","0.71073","MoKα","","0.1158","0.0605","","","0.0984","0.1186","","","","","","0.981","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154578","9.335","0.0004","10.6357","0.0005","11.4303","0.0005","73.153","0.004","87.926","0.004","76.728","0.004","1056.57","0.09","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H24 Cl F3 -","- C26 H24 Cl F3 -","- C52 H48 Cl2 F6 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.0428","0.0396","","","0.1067","0.1099","","","","","","1.046","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154579","9.177","0.0004","10.3545","0.0006","11.2833","0.0005","76.862","0.004","87.228","0.003","75.716","0.004","1011.8","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 F3 -","- C26 H25 F3 -","- C52 H50 F6 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","0.7107","MoKα","","0.0572","0.0435","","","0.1002","0.1075","","","","","","1.026","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154580","10.5842","0.0004","9.2772","0.0003","17.8208","0.0006","90","","90.018","0.003","90","","1749.86","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Cl F3 -","- C22 H16 Cl F3 -","- C88 H64 Cl4 F12 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.0442","0.0356","","","0.0894","0.0983","","","","","","1.029","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154581","8.9801","0.0003","11.8644","0.0005","12.6622","0.0006","64.998","0.004","71.043","0.004","80.66","0.003","1155.85","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 Cl F3 O4 -","- C26 H24 Cl F3 O4 -","- C52 H48 Cl2 F6 O8 -","2","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.54184","CuKα","","0.053","0.0424","","","0.1067","0.1106","","","","","","1.073","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154582","14.1449","0.0003","7.958","0.00016","16.5726","0.0004","90","","99.274","0.002","90","","1841.11","0.07","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 F3 O Si -","- C19 H21 F3 O Si -","- C76 H84 F12 O4 Si4 -","4","1","","Iakovenko, Roman O.; Kazakova, Anna N.; Muzalevskiy, Vasiliy M.; Ivanov, Alexander Yu; Boyarskaya, Irina A.; Chicca, Andrea; Petrucci, Vanessa; Gertsch, Jürg; Krasavin, Mikhail; Starova, Galina L.; Zolotarev, Andrey A.; Avdontceva, Margarita S.; Nenajdenko, Valentine G.; Vasilyev, Aleksander V.","Reactions of CF3-enones with arenes under superelectrophilic activation: a pathway to trans-1,3-diaryl-1-CF3-indanes, new cannabinoid receptor ligands.","Organic & biomolecular chemistry","2015","13","33","8827","8842","10.1039/c5ob01072a","","","1.5418","CuKα","","0.0363","0.0327","","","0.0887","0.0933","","","","","","1.041","","","","has coordinates","155240","2020-10-21","18:00:00",""
"7154583","12.6814","0.0015","5.7264","0.0006","27.718","0.003","90","","99.174","0.005","90","","1987.1","0.4","101","2","101","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H25 N O2 -","- C25 H25 N O2 -","- C100 H100 N4 O8 -","4","2","","Veits, Gesine K.; Wenz, Donald R.; Palmer, Leoni I.; St Amant, André H; Hein, Jason E.; Read de Alaniz, Javier","Cascade rearrangement of furylcarbinols with hydroxylamines: practical access to densely functionalized cyclopentane derivatives.","Organic & biomolecular chemistry","2015","13","31","8465","8469","10.1039/c5ob00944h","","","0.71073","MoKα","","0.1211","0.0649","","","0.1268","0.1506","","","","","","1.001","","","","has coordinates","153268","2020-10-21","18:00:00",""
"7154584","15.3927","0.0007","11.141","0.0005","18.1915","0.0009","90","","104.29","0.0016","90","","3023.1","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 Br2 S2 -","- C34 H32 Br2 S2 -","- C136 H128 Br8 S8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0381","0.0292","","","0.0718","0.0758","","","","","","1.022","","","","has coordinates","153271","2020-10-21","18:00:00",""
"7154585","8.3105","0.0007","9.161","0.0008","17.2363","0.0015","90","","91.798","0.002","90","","1311.6","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0487","0.0453","","","0.1133","0.116","","","","","","1.065","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154586","9.016","0.0009","12.6459","0.0013","12.1727","0.0012","90","","96.21","0.002","90","","1379.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O2 -","- C16 H22 O2 -","- C64 H88 O8 -","4","1","","Marin-Luna, Marta; Vidal, Angel; Bautista, Delia; Orenes, Raul-Angel; Alajarin, Mateo","Acid-promoted cycloisomerizations of phenylallenes bearing acetalic functions at the ortho position: a stereocontrolled entry to indeno-fused dioxepanes, dioxocanes and thioanalogues.","Organic & biomolecular chemistry","2015","13","31","8420","8424","10.1039/c5ob00897b","","","0.71073","MoKα","","0.0518","0.0451","","","0.1184","0.1235","","","","","","1.019","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154587","8.629","0.002","10.44","0.003","12.379","0.004","80.505","0.011","76.238","0.011","65.983","0.009","986.5","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C11 H9 N O4 -","- C11 H9 N O4 -","- C44 H36 N4 O16 -","4","2","","Dai, Jie; Ren, Wenlong; Wang, Haining; Shi, Yian","A facile approach to β-amino acid derivatives via palladium-catalyzed hydrocarboxylation of enimides with formic acid.","Organic & biomolecular chemistry","2015","13","31","8429","8432","10.1039/c5ob01304f","","","0.71073","MoKα","","0.0553","0.0492","","","0.1175","0.1215","","","","","","1.127","","","","has coordinates","153267","2020-10-21","18:00:00",""
"7154588","15.407","0.0007","17.9","0.0009","22.8419","0.0011","95.841","0.001","109.235","0.001","99.182","0.001","5790.5","0.5","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H32 N O5 S2 -","- C33 H28 N O5 S2 -","- C264 H224 N8 O40 S16 -","8","4","","Bounar, Haniya; Liu, Zhenhua; Zhang, Lin; Guan, Xiaoxue; Yang, Zonglian; Liao, Peiqiu; Bi, Xihe; Li, Xingqi","Silver-catalyzed cascade reaction of tosylmethyl isocyanide (TosMIC) with propargylic alcohols to (E)-vinyl sulfones: dual roles of TosMIC.","Organic & biomolecular chemistry","2015","13","32","8723","8728","10.1039/c5ob01129a","","","0.71073","MoKα","","0.1198","0.0711","","","0.1751","0.2115","","","","","","1.01","","","","has coordinates","153284","2020-10-21","18:00:00",""
"7154589","8.788","0.003","17.421","0.006","11.688","0.004","90","","109.885","0.004","90","","1682.7","1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-N-(3,5-dimethylphenyl)-2-(phenyldiazenyl)benzamide","","- C21 H19 N3 O -","- C21 H19 N3 O -","- C84 H76 N12 O4 -","4","1","","Geng, Xiaoyu; Wang, Congyang","Rhenium-catalyzed C-H aminocarbonylation of azobenzenes with isocyanates.","Organic & biomolecular chemistry","2015","13","28","7619","7623","10.1039/c5ob01121c","","","0.71073","MoKα","","0.1021","0.08","","","0.1504","0.1615","","","","","","1.24","","","","has coordinates","141633","2020-10-21","18:00:00",""
"7154590","24.909","0.002","9.2315","0.0008","6.9138","0.0006","90","","90","","90","","1589.8","0.2","294","2","294","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C18 H23 N O3 -","- C18 H23 N O3 -","- C72 H92 N4 O12 -","4","1","","Subba Reddy, B. V.; Gopal Reddy, S.; Durgaprasad, M.; Bhadra, Manika Pal; Sridhar, B.","Domino Prins/pinacol reaction for the stereoselective synthesis of spiro[pyran-4,4'-quinoline]-2',3'-dione derivatives.","Organic & biomolecular chemistry","2015","13","32","8729","8733","10.1039/c5ob01077b","","","0.71073","MoKα","","0.0427","0.0404","","","0.1063","0.1087","","","","","","1.04","","","","has coordinates","153283","2020-10-21","18:00:00",""
"7154591","7.6266","0.0008","18.5193","0.0018","10.0793","0.001","90","","108.801","0.005","90","","1347.6","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O -","- C18 H15 N O -","- C72 H60 N4 O4 -","4","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Ruthenium-catalyzed cyclization of N-carbamoyl indolines with alkynes: an efficient route to pyrroloquinolinones.","Organic & biomolecular chemistry","2015","13","35","9276","9284","10.1039/c5ob01146a","","","1.54178","CuKα","","0.054","0.0405","","","0.1216","0.1389","","","","","","0.882","","","","has coordinates","155230","2020-10-21","18:00:00",""
"7154592","8.1792","0.0003","8.2361","0.0003","11.9209","0.0004","91.062","0.002","95.422","0.002","119.402","0.002","694.53","0.05","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C32 H34 N2 O6 -","2","1","","Manoharan, Ramasamy; Jeganmohan, Masilamani","Ruthenium-catalyzed cyclization of N-carbamoyl indolines with alkynes: an efficient route to pyrroloquinolinones.","Organic & biomolecular chemistry","2015","13","35","9276","9284","10.1039/c5ob01146a","","","1.54178","CuKα","","0.0551","0.0445","","","0.1168","0.1311","","","","","","0.639","","","","has coordinates","155230","2020-10-21","18:00:00",""
"7154593","14.356","0.004","8.145","0.002","16.636","0.004","90","","96.488","0.004","90","","1932.8","0.9","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 Br N3 O -","- C21 H22 Br N3 O -","- C84 H88 Br4 N12 O4 -","4","1","","Itoh, Kennosuke; Kato, Ryo; Kinugawa, Daito; Kamiya, Hideaki; Kudo, Ryuki; Hasegawa, Masayuki; Fujii, Hideaki; Suga, Hiroyuki","Photochemically-induced C-C bond formation between tertiary amines and nitrones.","Organic & biomolecular chemistry","2015","13","33","8919","8924","10.1039/c5ob01277e","","","0.71073","MoKα","","0.0445","0.0303","","","0.0712","0.0748","","","","","","1.204","","","","has coordinates","155241","2020-10-21","18:00:00",""
"7154594","10.8982","0.0005","37.3563","0.0016","17.593","0.0008","90","","99.613","0.002","90","","7061.8","0.5","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 -","- C30 H18 -","- C420 H252 -","14","3.5","","Lamm, Jan-Hendrik; Horstmann, Jan; Stammler, Hans-Georg; Mitzel, Norbert W.; Zhabanov, Yuriy A.; Tverdova, Natalya V.; Otlyotov, Arseniy A.; Giricheva, Nina I.; Girichev, Georgiy V.","1,8-Bis(phenylethynyl)anthracene - gas and solid phase structures.","Organic & biomolecular chemistry","2015","13","33","8893","8905","10.1039/c5ob01078k","","","1.54178","CuKα","","0.0416","0.0361","","","0.0923","0.0964","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154595","10.3258","0.0009","17.5826","0.0015","13.7351","0.0012","90","","101.789","0.001","90","","2441.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Ethyl 2-((p-tolylsulfinyl)amino)-2-(5,6,7-trimethoxy-2-methyl-1H-inden-3-yl)acetate","","- C24 H29 N O6 S -","- C24 H29 N O6 S -","- C96 H116 N4 O24 S4 -","4","1","","Sudhakar, Gangarajula; Reddy, Karla Janardhan; Nanubolu, Jagadesh Babu","Nazarov cyclization of dienylaziridines: synthesis of cyclopentadienyl/hydrinedienyl/indenyl glycines.","Organic & biomolecular chemistry","2015","13","33","8875","8885","10.1039/c5ob01219h","","","0.71073","MoKα","","0.0531","0.0481","","","0.1402","0.1481","","","","","","1.043","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154596","11.1245","0.001","11.5825","0.0011","14.9885","0.0014","90","","107.083","0.003","90","","1846.1","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H15 F N2 O3 -","- C24 H15 F N2 O3 -","- C96 H60 F4 N8 O12 -","4","1","","Liao, Fu-Min; Liu, Yun-Lin; Yu, Jin-Sheng; Zhou, Feng; Zhou, Jian","An efficient catalyst-free Mukaiyama-aldol reaction of fluorinated enol silyl ethers with tryptanthrin.","Organic & biomolecular chemistry","2015","13","33","8906","8911","10.1039/c5ob01125f","","","0.71073","MoKα","","0.0844","0.0412","","","0.0819","0.1011","","","","","","1.008","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154597","10.687","0.0004","9.1043","0.0003","21.0968","0.0006","90","","98.623","0.003","90","","2029.47","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","N-(tert-butyl)-1-(4-chlorophenethyl)-5-oxo-2-(pyridin-3-yl)pyrrolidine-2-carboxamide","","- C22 H26 Cl N3 O2 -","- C22 H26 Cl N3 O2 -","- C88 H104 Cl4 N12 O8 -","4","1","","Polindara-García, Luis A; Montesinos-Miguel, Dario; Vazquez, Alfredo","An efficient microwave-assisted synthesis of cotinine and iso-cotinine analogs from an Ugi-4CR approach.","Organic & biomolecular chemistry","2015","13","34","9065","9071","10.1039/c5ob01170a","","x-ray","1.54184","CuKα","","0.0532","0.0409","","","0.1056","0.1276","","","","","","1.115","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154598","13.1515","0.0008","9.4791","0.0004","14.8569","0.0008","90","","90","","90","","1852.13","0.17","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","(3S*,4aR*,8aS*)-8-hydroxy-2-(4-methoxyphenyl)-8a-methyl-3-phenyl-3,4,4a,5-tetrahydroisoquinoline-1,6(2H,8aH)-dione","","- C23 H23 N O4 -","- C23 H23 N O4 -","- C92 H92 N4 O16 -","4","1","","Medvedev, J. J.; Meleshina, M. V.; Panikorovskii, T. L.; Schneider, C.; Nikolaev, V. A.","Domino reactions of diazodicarbonyl compounds with α,β-unsaturated δ-amino esters: a convenient way towards 2-oxopiperidines, dihydropyridinones and isoquinolinediones.","Organic & biomolecular chemistry","2015","13","34","9107","9117","10.1039/c5ob01197c","","","0.7107","MoKα","","0.0518","0.0446","","","0.106","0.1129","","","","","","1.064","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154599","7.9798","0.0013","8.2157","0.0014","11.2639","0.0018","91.83","0.002","96.597","0.003","110.961","0.002","682.9","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H11 I N2 S -","- C14 H11 I N2 S -","- C28 H22 I2 N4 S2 -","2","1","","Liu, Shan; Xi, Hailing; Zhang, Jingjing; Wu, Xia; Gao, Qinghe; Wu, Anxin","Organopromoted direct synthesis of 6-iodo-3-methylthioimidazo[1,2-a]pyridines via convergent integration of three self-sorting domino sequences.","Organic & biomolecular chemistry","2015","13","33","8807","8811","10.1039/c5ob01313e","","","0.71073","MoKα","","0.0316","0.0296","","","0.0943","0.0967","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154600","10.412","0.003","7.85","0.003","17.427","0.006","90","","105.304","0.006","90","","1373.9","0.8","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H41 N O2 Se -","- C29 H41 N O2 Se -","- C58 H82 N2 O4 Se2 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0342","0.032","","","0.0835","0.0902","","","","","","1.146","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154601","5.8067","0.0018","13.672","0.004","13.807","0.004","90","","90.852","0.006","90","","1096","0.6","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H27 N O3 S -","- C25 H27 N O3 S -","- C50 H54 N2 O6 S2 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0302","0.0281","","","0.0747","0.0774","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154602","8.5898","0.0017","10.768","0.002","28.159","0.006","90","","90","","90","","2604.6","0.9","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H37 N O2 Se -","- C28 H37 N O2 Se -","- C112 H148 N4 O8 Se4 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.044","0.0394","","","0.1064","0.1096","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154603","12.295","0.002","13.5593","0.0019","15.728","0.003","90","","90","","90","","2622","0.8","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H41 N O2 Se -","- C26 H41 N O2 Se -","- C104 H164 N4 O8 Se4 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0582","0.0356","","","0.0706","0.08","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154604","6.517","0.003","12.303","0.005","12.943","0.005","90","","100.402","0.007","90","","1020.7","0.7","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H35 N O2 -","- C22 H35 N O2 -","- C44 H70 N2 O4 -","2","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0287","0.0278","","","0.0728","0.0739","","","","","","1.044","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154605","8.8571","0.0008","15.0597","0.0014","15.5921","0.0014","90","","90","","90","","2079.8","0.3","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H32 Cl N O2 -","- C22 H32 Cl N O2 -","- C88 H128 Cl4 N4 O8 -","4","1","","Nieto, Javier; Andrés, Celia; Pérez-Encabo, Alfonso","7-endo selenocyclization reactions on chiral 3-prenyl and 3-cinnamyl-2-hydroxymethylperhydro-1,3-benzoxazine derivatives. A way to enantiopure 1,4-oxazepanes.","Organic & biomolecular chemistry","2015","13","34","9118","9126","10.1039/c5ob01297j","","","0.71073","MoKα","","0.0268","0.0249","","","0.0633","0.0649","","","","","","1.064","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154606","8.7862","0.0003","20.9598","0.0007","8.5716","0.0003","90","","117.059","0.002","90","","1405.73","0.09","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2,2-dioxo-6-phenyl-1H,3H-pyrazolo[1,5-c][1,3]thiazole-7-carboxylate","","- C14 H14 N2 O4 S -","- C14 H14 N2 O4 S -","- C56 H56 N8 O16 S4 -","4","1","","Lopes, Susana M. M.; Correia, Cátia F O; Nunes, Sandra C. C.; Pereira, Nelson A. M.; Ferreira, Ana R. F.; Sousa, Emanuel P.; Gomes, Clara S. B.; Salvador, Jorge A. R.; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Synthesis of chiral hexacyclic steroids via [8π + 2π] cycloaddition of diazafulvenium methides.","Organic & biomolecular chemistry","2015","13","34","9127","9139","10.1039/c5ob01110h","","x-ray","0.71073","MoKα","","0.0561","0.0408","","","0.1048","0.1105","","","","","","1.046","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154607","12.8055","0.0017","14.5445","0.0019","14.594","0.002","98.06","0.006","99.289","0.007","115.517","0.006","2352.7","0.6","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(4aR,7aR,8aR)-Dimethyl 8-benzyl-5,7-dioxo-6-phenyl-4a,5,6,7,7a,8-hexahydro-1H,3H-pyrazolo[1,5-a]pyrrolo[3,4-d]pyridine-2,3-dicarboxylate","","- C26 H23 N3 O6 -","- C26 H23 N3 O6 -","- C104 H92 N12 O24 -","4","2","","Lopes, Susana M. M.; Correia, Cátia F O; Nunes, Sandra C. C.; Pereira, Nelson A. M.; Ferreira, Ana R. F.; Sousa, Emanuel P.; Gomes, Clara S. B.; Salvador, Jorge A. R.; Pais, Alberto A. C. C.; Pinho E Melo, Teresa M V D","Synthesis of chiral hexacyclic steroids via [8π + 2π] cycloaddition of diazafulvenium methides.","Organic & biomolecular chemistry","2015","13","34","9127","9139","10.1039/c5ob01110h","","x-ray","0.71073","MoKα","","0.1744","0.0614","","","0.1206","0.1581","","","","","","0.872","","","","has coordinates","171772","2020-10-21","18:00:00",""
"7154608","17.0052","0.0007","17.3045","0.0008","19.3461","0.0008","74.882","0.004","64.37","0.004","64.823","0.004","4624.5","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N6 O4 -","- C20 H14 N6 O4 -","- C200 H140 N60 O40 -","10","5","","Chen, Ping-Fan; Kuo, Kung-Kai; Vandavasi, Jaya Kishore; Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Wang, Jeh-Jeng","Metal-free cycloaddition to synthesize naphtho[2,3-d][1,2,3]triazole-4,9-diones.","Organic & biomolecular chemistry","2015","13","35","9261","9266","10.1039/c5ob01322d","","x-ray","0.71073","MoKα","","0.0904","0.053","","","0.1011","0.1183","","","","","","1.002","","","","has coordinates","155229","2020-10-21","18:00:00",""
"7154609","23.897","0.017","6.42","0.005","8.292","0.006","90","","95.275","0.011","90","","1266.8","1.6","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H9 N3 O2 -","- C16 H9 N3 O2 -","- C64 H36 N12 O8 -","4","1","","Chen, Ping-Fan; Kuo, Kung-Kai; Vandavasi, Jaya Kishore; Boominathan, Siva Senthil Kumar; Chen, Chung-Yu; Wang, Jeh-Jeng","Metal-free cycloaddition to synthesize naphtho[2,3-d][1,2,3]triazole-4,9-diones.","Organic & biomolecular chemistry","2015","13","35","9261","9266","10.1039/c5ob01322d","","","0.71073","MoKα","","0.0784","0.0462","","","0.1095","0.1313","","","","","","1.04","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154610","16.3644","0.0006","15.9689","0.0006","12.8284","0.0005","90","","90","","90","","3352.3","0.2","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C34 H36 N O9 P S -","- C34 H36 N O9 P S -","- C136 H144 N4 O36 P4 S4 -","4","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71073","MoKα","","0.0741","0.0494","","0.052","0.0512","0.0511","","","","","","1.0721","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154611","10.2628","0.0005","8.9164","0.0004","18.5939","0.0009","90","","105.023","0.005","90","","1643.32","0.14","293","","293","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C31 H40 N O9 P S -","- C31 H40 N O9 P S -","- C62 H80 N2 O18 P2 S2 -","2","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71069","MoKα","","0.0738","0.0511","","0.0546","0.0436","0.0406","","","","","","1.153","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154612","11.8008","0.0005","14.3566","0.0008","16.6799","0.0011","90","","90","","90","","2825.9","0.3","293","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H28 N O8 P S -","- C27 H28 N O8 P S -","- C108 H112 N4 O32 P4 S4 -","4","1","","D'Onofrio, A; Copey, L.; Jean-Gérard, L; Goux-Henry, C; Pilet, G.; Andrioletti, B.; Framery, E.","d-Glucosamine as a novel chiral auxiliary for the stereoselective synthesis of P-stereogenic phosphine oxides.","Organic & biomolecular chemistry","2015","13","34","9029","9034","10.1039/c5ob01323b","","","0.71069","MoKα","","0.1498","0.0788","","0.0806","0.0595","0.0536","","","","","","1.1191","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154613","6.9629","0.0013","10.231","0.003","14.781","0.002","102.726","0.018","97.404","0.016","94.658","0.018","1012","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H21 N3 O4 S2 -","- C18 H21 N3 O4 S2 -","- C36 H42 N6 O8 S4 -","2","1","","Kumar, Virendra; Kumar, Ajit; Diwan, Uzra; Singh, Manish Kumar; Upadhyay, K. K.","A radical approach for fluorescent turn 'on' detection, differentiation and bioimaging of methanol.","Organic & biomolecular chemistry","2015","13","33","8822","8826","10.1039/c5ob01333j","","","0.71073","MoKα","","0.1294","0.0574","","","0.0556","0.0712","","","","","","0.96","","","","has coordinates","155242","2020-10-21","18:00:00",""
"7154614","7.621","0.002","13.163","0.004","23.299","0.007","90","","90","","90","","2337.2","1.2","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 N2 O5 Se Si -","- C17 H28 N2 O5 Se Si -","- C68 H112 N8 O20 Se4 Si4 -","4","1","","Kogami, Masakazu; Koketsu, Mamoru","An efficient method for the synthesis of selenium modified nucleosides: its application in the synthesis of Se-adenosyl-l-selenomethionine (SeAM).","Organic & biomolecular chemistry","2015","13","36","9405","9417","10.1039/c5ob01316j","","","0.71075","MoKα","","0.1599","0.1062","","","0.2754","0.3156","","","","","","1.088","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154615","12.239","0.002","15.019","0.003","20.059","0.003","90","","101.801","0.011","90","","3609.3","1.1","123","","123","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","6,15,22-Tri-tert-butyl-9,18,25-trimethoxy[3.3.1]metacyclophane-2,11- dione","","- C40 H52 O5 -","- C40 H52 O5 -","- C160 H208 O20 -","4","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0485","0.0414","","","0.1096","0.1124","","","","","","1.05","","","","has coordinates,has disorder","155234","2020-10-21","18:00:00",""
"7154616","25.2718","0.0005","13.4859","0.0003","17.4972","0.0004","90","","90","","90","","5963.3","0.2","123","","123","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","15,35,55-tri-tert-butyl-12-hydroxy-1-(1,3)-benzena-3,5(2,7) benzofuranacyclohexaphane","","- C37 H42 O3 -","- C37 H42 O3 -","- C296 H336 O24 -","8","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0651","0.0444","","","0.0938","0.1018","","","","","","1.016","","","","has coordinates","155234","2020-10-21","18:00:00",""
"7154617","17.5245","0.0003","13.6997","0.0003","26.7366","0.0005","90","","104.033","0.007","90","","6227.4","0.3","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","15,35,55-tri-tert-butyl-12-methoxy-1-(1,3)- benzena-3,5-(2,7)benzofurana-cyclohexaphane","","- C38 H44 O3 -","- C38 H44 O3 -","- C304 H352 O24 -","8","1","","Islam, Md Monarul; Tomiyasu, Hirotsugu; Matsumoto, Taisuke; Tanaka, Junji; Rahman, Shofiur; Georghiou, Paris E.; Redshaw, Carl; Yamato, Takehiko","Synthesis and conformational studies of chiral macrocyclic [1.1.1]metacyclophanes containing benzofuran rings.","Organic & biomolecular chemistry","2015","13","34","9055","9064","10.1039/c5ob01002k","","","1.54187","CuKα","","0.0777","0.0629","","","0.1541","0.1638","","","","","","1.041","","","","has coordinates","155234","2020-10-21","18:00:00",""
"7154618","9.661","0.01","18.921","0.019","35.7","0.04","90","","90","","90","","6526","12","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H50 O2 Si5 -","- C26 H50 O2 Si5 -","- C208 H400 O16 Si40 -","8","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.1718","0.0578","","","0.1258","0.1735","","","","","","0.944","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154619","11.587","0.009","12.882","0.01","13.076","0.01","89.35","0.009","65.871","0.009","74.849","0.009","1709","2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H50 O Si5 -","- C30 H50 O Si5 -","- C60 H100 O2 Si10 -","2","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.0523","0.0407","","","0.1271","0.1422","","","","","","0.979","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154620","9.7059","0.0011","12.3889","0.0014","14.2286","0.0016","93.485","0.002","91.21","0.002","97.443","0.002","1692.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H50 N2 O3 Si5 -","- C27 H50 N2 O3 Si5 -","- C54 H100 N4 O6 Si10 -","2","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.059","0.0418","","","0.126","0.1423","","","","","","1.002","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154621","14.925","0.012","11.801","0.008","18.571","0.014","90","","110.765","0.016","90","","3058","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H50 N2 Si6 -","- C20 H50 N2 Si6 -","- C80 H200 N8 Si24 -","4","1","","Dong, Zhaowen; Xiao, Xu-Qiong; Li, Zhifang; Lu, Qiong; Lai, Guoqiao; Kira, Mitsuo","Elusive 2H-1,2-oxasiletes through reactions of an isolable dialkylsilylene with diazocarbonyl compounds.","Organic & biomolecular chemistry","2015","13","36","9471","9476","10.1039/c5ob01224d","","","0.71073","MoKα","","0.0768","0.0451","","","0.1153","0.134","","","","","","1.02","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154622","10.2089","0.0008","6.5207","0.0006","13.9304","0.0011","90","","98.383","0.007","90","","917.43","0.13","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","6aR,7S,10aS)-2-bromo-7-(4-chlorophenyl)-6a-nitro-7,8,10,10a-tetrahydro-6H-benzo[c]chromen-9(6aH)-one","","- C19 H15 Br Cl N O4 -","- C19 H15 Br Cl N O4 -","- C38 H30 Br2 Cl2 N2 O8 -","2","1","","Li, Jun-Hua; Du, Da-Ming","Enantioselective cascade double Michael addition of 3-nitro-2H-chromenes and acyclic enones: efficient synthesis of functionalized tricyclic chroman derivatives.","Organic & biomolecular chemistry","2015","13","37","9600","9609","10.1039/c5ob01211b","","","1.54184","CuKα","","0.1151","0.0687","","","0.1488","0.1798","","","","","","1.001","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154623","6.4981","0.0019","11.985","0.004","23.813","0.007","90","","90","","90","","1854.5","1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","sa3912","","- C21 H20 Br N O3 -","- C21 H20 Br N O3 -","- C84 H80 Br4 N4 O12 -","4","1","","Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu","Organic base-promoted enantioselective electrophilic cyanation of β-keto esters by using chiral phase-transfer catalysts.","Organic & biomolecular chemistry","2015","13","33","8812","8816","10.1039/c5ob01301a","","","0.71073","MoKα","","0.0445","0.0407","","","0.0733","0.0747","","","","","","1.131","","","","has coordinates","155246","2020-10-21","18:00:00",""
"7154624","13.3258","0.0003","12.8123","0.0003","14.6052","0.0004","90","","116.613","0.0008","90","","2229.42","0.1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 B2 F3 N2 O2 -","- C23 H29 B2 F3 N2 O2 -","- C92 H116 B8 F12 N8 O8 -","4","1","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0507","0.0398","","","0.103","0.1098","","","","","","1.042","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154625","7.202","0.0009","39.014","0.004","13.9823","0.0017","90","","90.614","0.004","90","","3928.5","0.8","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H66 B2 N2 O2 -","- C43 H66 B2 N2 O2 -","- C172 H264 B8 N8 O8 -","4","2","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0855","0.0639","","","0.1648","0.1817","","","","","","1.032","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154626","16.4632","0.0013","10.963","0.0009","13.1045","0.0009","90","","99.031","0.003","90","","2335.9","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H36 B2 N2 O2 -","- C26 H36 B2 N2 O2 -","- C104 H144 B8 N8 O8 -","4","1","","Cuenca, Ana B.; Cid, Jessica; García-López, Diego; Carbó, Jorge J; Fernández, Elena","Unsymmetrical 1,1-diborated multisubstituted sp(3)-carbons formed via a metal-free concerted-asynchronous mechanism.","Organic & biomolecular chemistry","2015","13","37","9659","9664","10.1039/c5ob01523e","","","0.71073","MoKα","","0.0975","0.0476","","","0.1135","0.148","","","","","","1.051","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154627","7.871","0.005","11.094","0.005","15.506","0.005","90","0.005","90","0.005","90","0.005","1354","1.1","293","2","293","2","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C14 H10 Br2 O3 -","- C14 H10 Br2 O3 -","- C56 H40 Br8 O12 -","4","1","","Choudhury, Sumit; Ahmad, Saeed; Khan, Faiz Ahmed","Effect of bridgehead substitution in the Grob fragmentation of norbornyl ketones: a new route to substituted halophenols.","Organic & biomolecular chemistry","2015","13","37","9686","9696","10.1039/c5ob01287b","","","0.71069","MoKα","","0.0828","0.0471","","","0.1135","0.1563","","","","","","1.045","","","","has coordinates","162206","2020-10-21","18:00:00",""
"7154628","14.39","0.003","9.587","0.0016","14.773","0.003","90","","107.651","0.002","90","","1942.1","0.7","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N3 O5 P -","- C19 H20 N3 O5 P -","- C76 H80 N12 O20 P4 -","4","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled product-selectivity in the reaction of the Bestmann-Ohira reagent with N-unprotected isatin-derived olefins.","Organic & biomolecular chemistry","2015","13","38","9783","9788","10.1039/c5ob01382h","","","0.71075","MoKα","","0.0441","0.0387","","","0.1107","0.114","","","","","","1.052","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154629","8.955","0.002","9.519","0.002","12.242","0.003","90.177","0.003","94.21","0.003","116.002","0.004","934.7","0.4","293","2","293","2","","","","","","","see text","6","P -1","-P 1","2","","","","- C19 H15 F N3 O5 P -","- C19 H15 F N3 O5 P -","- C38 H30 F2 N6 O10 P2 -","2","1","","Gupta, Ashis Kumar; Ahamad, Shakir; Gupta, Ekta; Kant, Ruchir; Mohanan, Kishor","Substrate-controlled product-selectivity in the reaction of the Bestmann-Ohira reagent with N-unprotected isatin-derived olefins.","Organic & biomolecular chemistry","2015","13","38","9783","9788","10.1039/c5ob01382h","","","0.71075","MoKα","","0.048","0.0414","","","0.1193","0.1235","","","","","","1.094","","","","has coordinates","171425","2020-10-21","18:00:00",""
"7154630","8.2681","0.0005","7.5543","0.0005","23.4201","0.0017","90","","96.148","0.003","90","","1454.4","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H33 N O9 -","- C31 H33 N O9 -","- C62 H66 N2 O18 -","2","1","","Zhou, M.-J.; Bouazzaoui, S.; Jones, L. E.; Goodrich, P.; Bell, S. E. J.; Sheldrake, G. N.; Horton, P. N.; Coles, S. J.; Fletcher, N. C.","Isolation and structural determination of non-racemic tertiary cathinone derivatives.","Organic & biomolecular chemistry","2015","13","37","9629","9636","10.1039/c5ob01306b","","","0.71075","MoKα","","0.1535","0.0865","","","0.192","0.231","","","","","","1.037","","","","has coordinates","162181","2020-10-21","18:00:00",""
"7154631","6.306","0.004","8.935","0.006","13.518","0.009","90","","96.662","0.008","90","","756.5","0.9","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 N2 O3 S -","- C14 H18 N2 O3 S -","- C28 H36 N4 O6 S2 -","2","1","","Gao, Ning; Zhao, Xiao-Ming; Cai, Cheng-Si; Cai, Jue-Wang","Enantioselective synthesis of monofluorinated allylic compounds: Pd-catalyzed asymmetric allylations of dimethyl 2-fluoromalonate using new N-sulfinyl-based ligands.","Organic & biomolecular chemistry","2015","13","37","9551","9558","10.1039/c5ob01434d","","","0.71073","MoKα","","0.0672","0.0442","","","0.0982","0.104","","","","","","0.912","","","","has coordinates","162201","2020-10-21","18:00:00",""
"7154632","11.651","0.004","5.9117","0.0018","14.797","0.005","90","","96.518","0.004","90","","1012.6","0.6","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br2 F O4 -","- C20 H17 Br2 F O4 -","- C40 H34 Br4 F2 O8 -","2","1","","Gao, Ning; Zhao, Xiao-Ming; Cai, Cheng-Si; Cai, Jue-Wang","Enantioselective synthesis of monofluorinated allylic compounds: Pd-catalyzed asymmetric allylations of dimethyl 2-fluoromalonate using new N-sulfinyl-based ligands.","Organic & biomolecular chemistry","2015","13","37","9551","9558","10.1039/c5ob01434d","","","0.71073","MoKα","","0.0514","0.0379","","","0.0932","0.0979","","","","","","1.051","","","","has coordinates","162201","2020-10-21","18:00:00",""
"7154633","9.603","0.0015","5.6386","0.0009","19.96","0.003","90","","92.827","0.002","90","","1079.5","0.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 Br2 O4 S2 -","- C20 H24 Br2 O4 S2 -","- C40 H48 Br4 O8 S4 -","2","0.5","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0307","0.0266","","","0.0646","0.0666","","","","","","1.05","","","","has coordinates","155232","2020-10-21","18:00:00",""
"7154634","11.34","0.014","16.33","0.02","16.93","0.02","90","","99.38","0.02","90","","3093","7","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Cl3 O5 P S2 -","- C27 H30 Cl3 O5 P S2 -","- C108 H120 Cl12 O20 P4 S8 -","4","1","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0791","0.0518","","","0.1389","0.1577","","","","","","1.042","","","","has coordinates,has disorder","155232","2020-10-21","18:00:00",""
"7154635","3.7349","0.001","10.508","0.003","12.512","0.003","90","","96.366","0.004","90","","488","0.2","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H4 O3 S2 -","- C11 H4 O3 S2 -","- C22 H8 O6 S4 -","2","1","","Bhuwalka, Achala; Mike, Jared F.; Intemann, Jeremy J.; Ellern, Arkady; Jeffries-El, Malika","A versatile and efficient synthesis of bithiophene-based dicarboxaldehydes from a common synthon.","Organic & biomolecular chemistry","2015","13","36","9462","9470","10.1039/c5ob01135c","","","0.71073","MoKα","","0.0439","0.0417","","","0.1019","0.1035","","","","","","1.136","","","","has coordinates","155232","2020-10-21","18:00:00",""
"7154636","8.104","0.0016","17.252","0.004","9.486","0.0019","90","","106.24","0.03","90","","1273.3","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 S -","- C15 H14 O2 S -","- C60 H56 O8 S4 -","4","1","","Li, Jingfu; Chang, Wenju; Ren, Wenlong; Liu, Wei; Wang, Haining; Shi, Yian","A palladium-catalyzed enantioselective hydroesterification of alkenylphenols with phenyl formate. A facile approach to optically active dihydrocoumarins.","Organic & biomolecular chemistry","2015","13","41","10341","10347","10.1039/c5ob01431j","","","0.71073","MoKα","","0.1354","0.0968","","","0.2209","0.242","","","","","","1.072","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154637","12.6131","0.0005","26.049","0.001","8.1912","0.0004","90","","108.884","0.002","90","","2546.43","0.19","156","2","155.86","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Cl3 N7 O10 -","- C19 H18 Cl3 N7 O10 -","- C76 H72 Cl12 N28 O40 -","4","1","","Kutty, Samuel K.; Barraud, Nicolas; Ho, Kitty K. K.; Iskander, George M.; Griffith, Renate; Rice, Scott A.; Bhadbhade, Mohan; Willcox, Mark D. P.; Black, David StC; Kumar, Naresh","Hybrids of acylated homoserine lactone and nitric oxide donors as inhibitors of quorum sensing and virulence factors in Pseudomonas aeruginosa.","Organic & biomolecular chemistry","2015","13","38","9850","9861","10.1039/c5ob01373a","","","0.71073","MoKα","","0.2858","0.2697","","","0.667","0.6748","","","","","","3.511","","","","has coordinates,has disorder","162150","2020-10-21","18:00:00",""
"7154638","10.0324","0.0006","5.2469","0.0002","16.142","0.0009","90","","101.826","0.003","90","","831.66","0.08","152","2","152","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C6 H8 N2 O6 -","- C6 H8 N2 O6 -","- C24 H32 N8 O24 -","4","1","","Kutty, Samuel K.; Barraud, Nicolas; Ho, Kitty K. K.; Iskander, George M.; Griffith, Renate; Rice, Scott A.; Bhadbhade, Mohan; Willcox, Mark D. P.; Black, David StC; Kumar, Naresh","Hybrids of acylated homoserine lactone and nitric oxide donors as inhibitors of quorum sensing and virulence factors in Pseudomonas aeruginosa.","Organic & biomolecular chemistry","2015","13","38","9850","9861","10.1039/c5ob01373a","","","0.71073","MoKα","","0.04","0.0322","","","0.0831","0.0889","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154639","13.823","0.004","7.673","0.002","27.213","0.007","90","","90","","90","","2886.3","1.3","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","Nostodione A methyl ether","","- C19 H13 N O3 -","- C19 H13 N O3 -","- C152 H104 N8 O24 -","8","1","","McNulty, James; Keskar, Kunal; Jenkins, Hilary A.; Werstiuk, Nick H.; Bordón, Claudia; Yolken, Robert; Jones-Brando, Lorraine","Synthesis of the cyanobacterial metabolite nostodione A, structural studies and potent antiparasitic activity against Toxoplasma gondii.","Organic & biomolecular chemistry","2015","13","39","10015","10024","10.1039/c5ob01506e","","","0.71073","MoKα","","0.1062","0.0557","","","0.1127","0.1316","","","","","","1.016","","","","has coordinates","162168","2020-10-21","18:00:00",""
"7154640","8.5794","0.0006","12.6291","0.0016","22.1208","0.0017","90","","91.615","0.007","90","","2395.8","0.4","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 F3 N O4 P S -","- C21 H27 F3 N O4 P S -","- C84 H108 F12 N4 O16 P4 S4 -","4","1","","Cytlak, T.; Saweliew, M.; Kubicki, M.; Koroniak, H.","Synthesis of trifluoromethyl γ-aminophosphonates by nucleophilic aziridine ring opening.","Organic & biomolecular chemistry","2015","13","39","10050","10059","10.1039/c5ob01411e","","","1.5418","CuKα","","0.0592","0.049","","","0.1367","0.1454","","","","","","1.031","","","","has coordinates","162159","2020-10-21","18:00:00",""
"7154641","16.654","0.004","5.0589","0.0013","21.395","0.006","90","","94.15","0.02","90","","1797.8","0.8","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 F3 N O4 P -","- C15 H21 F3 N O4 P -","- C60 H84 F12 N4 O16 P4 -","4","1","","Cytlak, T.; Saweliew, M.; Kubicki, M.; Koroniak, H.","Synthesis of trifluoromethyl γ-aminophosphonates by nucleophilic aziridine ring opening.","Organic & biomolecular chemistry","2015","13","39","10050","10059","10.1039/c5ob01411e","","","0.7107","MoKα","","0.2337","0.081","","","0.1727","0.2214","","","","","","0.882","","","","has coordinates","162159","2020-10-21","18:00:00",""
"7154642","6.3711","0.0001","12.1422","0.0003","27.2294","0.0007","90","","90","","90","","2106.44","0.08","100","2","100.15","","","","101.3","","","","synthetic","6","P 21 21 21","P 2ac 2ab","19","thymidine-LNA-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)","thymin-1-yl-2'-O,4'-C-methylene-β-D-ribofuranosyl-3'-O-(2-thio-4,4-pentamethylene-1,3,2-oxathiaphospholane)","","- C18 H25 N2 O7 P S2 -","- C18 H25 N2 O7 P S2 -","- C72 H100 N8 O28 P4 S8 -","4","1","","Jastrzębska, Katarzyna; Maciaszek, Anna; Dolot, Rafał; Bujacz, Grzegorz; Guga, Piotr","Thermal stability and conformation of antiparallel duplexes formed by P-stereodefined phosphorothioate DNA/LNA chimeric oligomers with DNA and RNA matrices.","Organic & biomolecular chemistry","2015","13","39","10032","10040","10.1039/c5ob01474c","","x-ray","1.54184","CuKα","","0.036","0.031","","","0.0726","0.075","","","","","","1.032","","","","has coordinates","162163","2020-10-21","18:00:00",""
"7154643","8.7847","0.001","10.1017","0.0009","17.1281","0.001","89.731","0.006","88.638","0.007","69.689","0.006","1425","0.2","200","","200","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H47 N O3 -","- C30 H47 N O3 -","- C60 H94 N2 O6 -","2","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","0.71073","MoKα","","0.0681","0.0497","","","0.1287","0.1477","","","","","","1.056","","","","has coordinates,has disorder","162141","2020-10-21","18:00:00",""
"7154644","8.3651","0.0017","10.416","0.002","21.073","0.004","103.176","0.013","92.751","0.015","74.496","0.015","1722.6","0.6","297","","297","","","","","","","","","4","P -1","-P 1","2","","","","- C37 H53 N O4 -","- C37 H53 N O4 -","- C74 H106 N2 O8 -","2","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","1.54178","CuKα","","0.1091","0.0617","","","0.169","0.2104","","","","","","1.062","","","","has coordinates","162141","2020-10-21","18:00:00",""
"7154645","10.274","0.002","25.257","0.005","26.703","0.005","90","","90","","90","","6929","2","200","","200","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C37 H55 N O3 -","- C37 H55 N O3 -","- C296 H440 N8 O24 -","8","1","","Kamath, Anushree; Fabritius, Charles-Henry; Philouze, Christian; Delair, Philippe","A new approach to the 8b-azaacenaphthylene ring system.","Organic & biomolecular chemistry","2015","13","38","9834","9843","10.1039/c5ob01013f","","x-ray","0.71073","MoKα","","0.1599","0.099","","","0.2408","0.2808","","","","","","1.038","","","","has coordinates,has disorder","162141","2020-10-21","18:00:00",""
"7154646","11.3455","0.0012","10.2153","0.001","14.3393","0.0013","90","","94.725","0.005","90","","1656.2","0.3","296","2","296","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C16 H7 B Br F7 N2 O -","- C16 H7 B Br F7 N2 O -","- C64 H28 B4 Br4 F28 N8 O4 -","4","1","","Raja Sekhar, Adiki; Kaloo, Masood Ayoub; Sankar, Jeyaraman","Dual-mode chemodosimetric response of dibromo-BODIPY with anions.","Organic & biomolecular chemistry","2015","13","40","10155","10161","10.1039/c5ob01386k","","","0.71073","MoKα","","0.041","0.0354","","","0.0898","0.0944","","","","","","1.042","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154647","12.036","0.005","10.533","0.005","12.239","0.005","90","","94.749","0.01","90","","1546.3","1.2","100","2","100.15","","","","","","","","N/A","4","P 1 21 1","P 2yb","4","Fluoroalkene 11","3-?-(2?, 3?, 4?, 6?-?-Tetra-?-O-?-benzyl-?-α-?-D-?- galactopyranosyl)-?-3-?-R-?-fluoropropene","","- C37 H39 F O5 -","- C37 H39 F O5 -","- C74 H78 F2 O10 -","2","1","","Altiti, Ahmad S.; Bachan, S.; Alrowhani, W.; Mootoo, D. R.","An organocatalytic strategy for the stereoselective synthesis of C-galactosides with fluorine at the pseudoanomeric carbon.","Organic & biomolecular chemistry","2015","13","41","10328","10335","10.1039/c5ob01471a","","","0.71095","MoKα","","0.0928","0.0655","","","0.1604","0.1831","","","","","","0.9821","","","","has coordinates","278046","2022-09-21","15:45:42",""
"7154648","18.6725","0.0014","9.6689","0.0007","19.3848","0.0014","90","","90","","90","","3499.8","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H14 Cl N O3 -","- C21 H14 Cl N O3 -","- C168 H112 Cl8 N8 O24 -","8","2","","Sun, Jinwei; Wang, Fuyao; Shen, Yongmiao; Zhi, Huizhen; Wu, Hui; Liu, Yun","Palladium-catalyzed direct and regioselective C-H acyloxylation of indolizines.","Organic & biomolecular chemistry","2015","13","40","10236","10243","10.1039/c5ob01359c","","","0.71073","MoKα","","0.046","0.04","","","0.1021","0.1088","","","","","","1.08","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154649","8.3589","0.0001","20.9131","0.0003","17.1468","0.0004","90","","97.582","0.001","90","","2971.23","0.09","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H27 B F10 N -","- C33 H27 B F10 N -","- C132 H108 B4 F40 N4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0849","0.0581","","","0.1067","0.1195","","","","","","1.083","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154650","8.9201","0.0002","10.7594","0.0003","25.6057","0.0007","90","","90.619","0.001","90","","2457.36","0.11","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 B F10 N O -","- C27 H24 B F10 N O -","- C108 H96 B4 F40 N4 O4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0682","0.0516","","","0.1123","0.1212","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154651","10.0839","0.0003","10.3125","0.0003","11.7098","0.0003","93.787","0.0013","92.769","0.0012","102.949","0.0012","1181.65","0.06","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 B F10 N -","- C27 H24 B F10 N -","- C54 H48 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","1.54178","CuKα","","0.045","0.0387","","","0.0984","0.103","","","","","","1.025","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154652","9.0475","0.0002","10.2558","0.0002","14.7499","0.0005","84.788","0.001","79.791","0.001","76.629","0.002","1308.68","0.06","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H26 B F10 N -","- C28 H26 B F10 N -","- C56 H52 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.1011","0.0705","","","0.1356","0.156","","","","","","1.11","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154653","8.3829","0.0002","18.0928","0.0005","18.0057","0.0006","90","","95.814","0.001","90","","2716.88","0.13","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 B F10 N -","- C29 H24 B F10 N -","- C116 H96 B4 F40 N4 -","4","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.1102","0.0707","","","0.1269","0.1488","","","","","","1.133","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154654","8.626","0.0005","18.2872","0.0012","21.3911","0.0014","90","","91.102","0.002","90","","3373.7","0.4","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H8 B F10 N O -","- C16 H8 B F10 N O -","- C128 H64 B8 F80 N8 O8 -","8","2","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.3246","0.1902","","","0.2615","0.3268","","","","","","1.247","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154655","8.0677","0.0003","9.7095","0.0004","18.3172","0.0007","81.567","0.002","85.147","0.001","70.608","0.001","1337.82","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H24 B F10 N -","- C27 H24 B F10 N -","- C54 H48 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","1.54178","CuKα","","0.0488","0.0423","","","0.1151","0.119","","","","","","1.047","","","","has coordinates","171353","2020-10-21","18:00:00",""
"7154656","9.0935","0.0005","9.5304","0.0005","11.4509","0.0007","70.278","0.002","74.54","0.002","65.394","0.002","840.08","0.08","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H10 B F10 N -","- C17 H10 B F10 N -","- C34 H20 B2 F20 N2 -","2","1","","Chen, Guo-Qiang; Türkyilmaz, Fatma; Daniliuc, Constantin G.; Bannwarth, Christoph; Grimme, Stefan; Kehr, Gerald; Erker, Gerhard","Enamine/butadienylborane cycloaddition in the frustrated Lewis pair regime.","Organic & biomolecular chemistry","2015","13","42","10477","10486","10.1039/c5ob01602a","","","0.71073","MoKα","","0.0493","0.0362","","","0.0845","0.092","","","","","","1.063","","","","has coordinates","171353","2020-10-21","18:00:00",""
"7154657","11.4534","0.0008","11.6801","0.0009","14.4308","0.0011","96.466","0.005","102.806","0.004","90.975","0.004","1868.8","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","Cbz-(rac)-(αMe)ValAib4OtBu","racemic CbzMeValAib4OtBu","","- C34 H55 N5 O8 -","- C34 H55 N5 O8 -","- C68 H110 N10 O16 -","2","1","","Pike, Sarah J.; Jones, Jennifer E.; Raftery, James; Clayden, Jonathan; Webb, Simon J.","Helical peptaibol mimics are better ionophores when racemic than when enantiopure.","Organic & biomolecular chemistry","2015","13","37","9580","9584","10.1039/c5ob01652e","","","1.54178","CuKα","","0.0631","0.0524","","","0.1417","0.1505","","","","","","1.09","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154658","8.7294","0.0017","9.0226","0.0018","13.246","0.003","89.48","0.03","79.49","0.03","89.81","0.03","1025.7","0.4","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H22 O -","- C27 H22 O -","- C54 H44 O2 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","0.71073","MoKα","","0.0615","0.0463","","","0.1254","0.1379","","","","","","1.038","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154659","20.9391","0.0005","19.6321","0.0004","19.0212","0.0005","90","","99.008","0.002","90","","7722.8","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H20 O -","- C25 H20 O -","- C400 H320 O16 -","16","4","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0778","0.0555","","","0.147","0.1639","","","","","","1.031","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154660","40.689","0.0012","7.9939","0.0002","15.8777","0.0007","90","","101.669","0.003","90","","5057.7","0.3","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H26 O4 -","- C32 H26 O4 -","- C256 H208 O32 -","8","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0747","0.0653","","","0.1978","0.2091","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154661","9.648","0.004","12.704","0.005","13.199","0.005","118.354","0.005","94.509","0.006","101.854","0.006","1363.9","0.9","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 O4 -","- C33 H30 O4 -","- C66 H60 O8 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","0.71073","MoKα","","0.1462","0.1102","","","0.3182","0.3477","","","","","","1.215","","","","has coordinates","162173","2020-10-21","18:00:00",""
"7154662","10.0941","0.0005","12.7419","0.0005","13.2345","0.0008","117.981","0.005","94.366","0.005","104.498","0.004","1417.55","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H32 O4 -","- C34 H32 O4 -","- C68 H64 O8 -","2","1","","Uruvakili, Anasuyamma; Gangadhararao, G.; Kumara Swamy, K. C.","Gold(i) catalysed sequential dehydrative cyclisation/intermolecular [4 + 2] cycloaddition of alkynyldienols onto activated alkynes/alkenes: a facile route to substituted norbornadienes/norbornenes.","Organic & biomolecular chemistry","2015","13","39","10060","10071","10.1039/c5ob01458a","","","1.54184","CuKα","","0.0602","0.0497","","","0.1435","0.1563","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154663","9.999","0.003","16.21","0.005","16.317","0.005","90","","90","","90","","2644.7","1.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(E)-N-(2-(phenylsulfonyl)ethylidene)morpholin-4-amine","","- C12 H16 N2 O3 S -","- C12 H16 N2 O3 S -","- C96 H128 N16 O24 S8 -","8","1","","Zheng, Danqing; Kuang, Yunyan; Wu, Jie","A four-component reaction of aryldiazonium tetrafluoroborates, sulfur dioxide, 1,2-dibromoethane, and hydrazines.","Organic & biomolecular chemistry","2015","13","41","10370","10375","10.1039/c5ob01765c","","","0.71073","MoKα","","0.0721","0.0446","","","0.101","0.1077","","","","","","0.911","","","","has coordinates","171335","2020-10-21","18:00:00",""
"7154664","29.2646","0.0012","9.4866","0.0004","15.7986","0.0007","90","","103.661","0.002","90","","4262","0.3","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H20 Cl2 N2 O2 -","- C24 H19 Cl2 N2 O2 -","- C192 H152 Cl16 N16 O16 -","8","1","","Babu, K. Naresh; Kinthada, Lakshmana K.; Ghosh, Santanu; Bisai, Alakesh","Highly chemoselective synthesis of dimeric 2-oxindoles with a C-3/C-5' linkage via Friedel-Crafts alkylations of 2-oxindoles with 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2015","13","43","10641","10655","10.1039/c5ob01670c","","","0.71073","MoKα","","0.0913","0.0749","","","0.1293","0.1314","","","","","","3.455","","","","has coordinates","171346","2020-10-21","18:00:00",""
"7154665","9.4773","0.0019","9.4856","0.0015","12.418","0.003","82.847","0.009","79.354","0.01","76.208","0.009","1061.7","0.4","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N3 O2 -","- C27 H23 N3 O2 -","- C54 H46 N6 O4 -","2","1","","Babu, K. Naresh; Kinthada, Lakshmana K.; Ghosh, Santanu; Bisai, Alakesh","Highly chemoselective synthesis of dimeric 2-oxindoles with a C-3/C-5' linkage via Friedel-Crafts alkylations of 2-oxindoles with 3-hydroxy-2-oxindoles.","Organic & biomolecular chemistry","2015","13","43","10641","10655","10.1039/c5ob01670c","","","0.71073","MoKα","","0.1102","0.0544","","","0.144","0.1737","","","","","","1.014","","","","has coordinates","171346","2020-10-21","18:00:00",""
"7154666","15.8707","0.0003","37.2414","0.0007","21.2432","0.0004","90","","131.683","0.001","90","","9377.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C49.5 H73.5 N O3 Si2 -","- C49.5 H73.5 N O3 Si2 -","- C396 H588 N8 O24 Si16 -","8","2","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0998","0.0619","","","0.1528","0.1738","","","","","","1.027","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154667","9.644","0.004","12.021","0.006","18.923","0.006","86.145","0.014","85.326","0.01","85.326","0.019","2175.1","1.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","Ethyl-2-hydroxy-3-mesityl-1-methyl-4,9-bis((triisopropylsilyl)oxy)-2,3-dihydro-1H-benzo[f]isoindole-1-carboxylate","","- C43 H67 N O5 Si2 -","- C43 H67 N O5 Si2 -","- C86 H134 N2 O10 Si4 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1103","0.0763","","","0.1937","0.2167","","","","","","1.034","","","","has coordinates","171347","2020-10-21","18:00:00",""
"7154668","8.7","0.0007","15.359","0.001","17.871","0.0011","67.097","0.004","89.688","0.004","79.278","0.004","2155.4","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","ethyl cis-3-mesityl-1-methyl-4,9-bis((triisopropylsilyl)oxy)-2,3-dihydro-1H-benzo[f]isoindole-1-carboxylate","","- C43 H67 N O4 Si2 -","- C43 H67 N O4 Si2 -","- C86 H134 N2 O8 Si4 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1068","0.0748","","","0.1908","0.2104","","","","","","1.034","","","","has coordinates","171347","2020-10-21","18:00:00",""
"7154669","15.518","0.0004","12.321","0.0005","9.057","0.0008","90","","106.742","0.003","90","","1658.27","0.17","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Szpilman12","methyl 3-isopropyl-1-methyl-4,9-dioxo-2,3,4,9-tetrahydro-1H-benzo[f]isoindole-1-carboxylate","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0573","0.047","","","0.1232","0.1301","","","","","","1.063","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154670","9.081","0.0006","11.092","0.0006","20.597","0.001","90","","94.188","0.004","90","","2069.1","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","ethyl cis-4,7-dihydroxy-1-methyl-3-(naphthalen-1-yl)isoindoline-1-carboxylat","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C104 H92 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0531","0.0442","","","0.1168","0.1229","","","","","","1.079","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154671","11.171","0.0003","8.589","0.0003","19.728","0.0007","90","","95.532","0.0011","90","","1884.04","0.11","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Szpilman9","ethyl 3-(tert-butyl)-1-methyl-4,9-dioxo-2,3,4,9-tetrahydro-1H-benzo[f]isoindole-1-carboxylate","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.0845","0.0577","","","0.1357","0.1491","","","","","","1.035","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154672","7.736","0.002","12.285","0.002","14.643","0.003","71.82","0.02","88.31","0.02","73.55","0.02","1265.4","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","Szpilman13 (Sukanta)","","","- C32 H34 N O -","- C32 H34 N O -","- C64 H68 N2 O2 -","2","1","","Toledo, Hila; Amar, Michal; Bar, Sukanta; Iron, Mark A.; Fridman, Natalia; Tumanskii, Boris; Shimon, Linda J. W.; Botoshansky, Mark; Szpilman, Alex M.","Synthesis and stability of cyclic α-hydrogen nitroxides.","Organic & biomolecular chemistry","2015","13","43","10726","10733","10.1039/c5ob01443c","","","0.71073","MoKα","","0.1133","0.0494","","","0.1239","0.1399","","","","","","0.842","","","","has coordinates","171347","2020-10-21","18:00:00",""
"7154673","7.2796","0.0001","27.9338","0.0006","10.3113","0.0002","90","","106.824","0.001","90","","2007.03","0.07","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H23 I2 Mn N5 O2 -","- C13 H23 I2 Mn N5 O2 -","- C52 H92 I8 Mn4 N20 O8 -","4","1","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.0566","0.0497","","","0.1199","0.1233","","","","","","1.118","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154674","14.5669","0.0009","18.4411","0.001","15.6178","0.0007","90","","90.728","0.002","90","","4195.1","0.4","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H56 Cl4 Mn2 N14 O1.5 -","- C32 H56 Cl4 Mn2 N14 O1.5 -","- C128 H224 Cl16 Mn8 N56 O6 -","4","1","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.117","0.0597","","","0.1166","0.1351","","","","","","0.975","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154675","33.9815","0.0007","12.1081","0.0003","25.8046","0.0005","90","","117.073","0.001","90","","9454","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19.5 H31.5 Cl3.5 Mn N5 O0.5 -","- C19.5 H31.5 Cl3.5 Mn N5 O0.5 -","- C312 H504 Cl56 Mn16 N80 O8 -","16","2","","Hamal, Sunil; D'huys, Thomas; Rowley, William F.; Vermeire, Kurt; Aquaro, Stefano; Frost, Brian J.; Schols, Dominique; Bell, Thomas W.","Metal complexes of pyridine-fused macrocyclic polyamines targeting the chemokine receptor CXCR4.","Organic & biomolecular chemistry","2015","13","42","10517","10526","10.1039/c5ob01557j","","","0.71073","MoKα","","0.0385","0.0313","","","0.0804","0.0843","","","","","","1.062","","","","has coordinates","176429","2020-10-21","18:00:00",""
"7154676","10.2636","0.0018","10.7862","0.0018","11.475","0.002","96.25","0.003","98.454","0.003","104.549","0.003","1202.1","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","(?)-(3aR,9aR)-rel-3a,4,9,9a-tetrahydro-4-[(1R)-1-N-benzylaminoethyl]-2-methyl-,4,9[1',2']-benzeno-1H-benz[f]isoindole-1,3(2H)-dione","","- C28 H26 N2 O2 -","- C28 H26 N2 O2 -","- C56 H52 N4 O4 -","2","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.0633","0.0535","","","0.1572","0.1655","","","","","","1.06","","","","has coordinates","171355","2020-10-21","18:00:00",""
"7154677","15.275","0.003","14.422","0.002","17.487","0.003","90","","90","","90","","3852.3","1.1","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethyl-trifluoroacetamido]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C23 H18 F3 N2 O3 -","- C23 H18 F3 N2 O3 -","- C184 H144 F24 N16 O24 -","8","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.15","0.0652","","","0.1398","0.1705","","","","","","0.81","","","","has coordinates","171355","2020-10-21","18:00:00",""
"7154678","14.954","0.0012","9.4917","0.0008","16.5072","0.0013","90","","107.913","0.005","90","","2229.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethyl-tert-butylcarbamato]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C26 H28 N2 O4 -","- C26 H28 N2 O4 -","- C104 H112 N8 O16 -","4","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.1228","0.0517","","","0.1162","0.1555","","","","","","1.06","","","","has coordinates","171355","2020-10-21","18:00:00",""
"7154679","17.583","0.002","11.5915","0.0014","17.893","0.002","90","","90","","90","","3646.8","0.7","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","(?)-(3aS,9aS)-3a,4,9,9a-Tetrahydro-4-[(1R)-ethylacetamido]-2-methyl-4,9-[1?,2?]benzeno-1H-benzo[f]isoindole-1,3-(2H)-dione","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C184 H176 N16 O24 -","8","1","","Bawa, R. A.; Gautier, F.-M.; Adams, H.; Meijer, A. J. H. M.; Jones, S.","Evaluating hydrogen bonding control in the diastereoselective Diels-Alder reactions of 9-(2-aminoethyl)-anthracene derivatives.","Organic & biomolecular chemistry","2015","13","42","10569","10577","10.1039/c5ob01343g","","","0.71073","MoKα","","0.0897","0.0506","","","0.118","0.147","","","","","","1.026","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154680","12.173","0.003","17.375","0.004","18.275","0.004","61.92","0.003","71.547","0.003","87.263","0.003","3211.2","1.3","100","2","100","2","","","","","","","no","3","P -1","-P 1","2","C18Pycage","","","- C70 H116 Si2 -","- C70 H116 Si2 -","- C140 H232 Si4 -","2","1","","Shionari, Hirokuni; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A pyrene-bridged macrocage showing no excimer fluorescence.","Organic & biomolecular chemistry","2015","13","42","10511","10516","10.1039/c5ob01644d","","","0.71073","MoKα","","0.0688","0.0575","","","0.1454","0.1553","","","","","","1.043","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154681","6.354","0.0012","16.626","0.003","9.3688","0.0017","90","","100.456","0.002","90","","973.3","0.3","100","2","100","2","","","","","","","no","3","P 1 21/c 1","-P 2ybc","14","2,7-TMSpyrene","2,7-bis(trimethylsilyl)pyrene","","- C22 H26 Si2 -","- C22 H26 Si2 -","- C44 H52 Si4 -","2","0.5","","Shionari, Hirokuni; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru","A pyrene-bridged macrocage showing no excimer fluorescence.","Organic & biomolecular chemistry","2015","13","42","10511","10516","10.1039/c5ob01644d","","","0.71073","MoKα","","0.0375","0.0331","","","0.0875","0.0905","","","","","","1.056","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154682","7.5806","0.0003","14.495","0.0005","6.3109","0.0002","90","","90","","90","","693.45","0.04","132","2","132","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H5 N5 S -","- C5 H5 N5 S -","- C20 H20 N20 S4 -","4","1","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0292","0.0261","","","0.0624","0.0641","","","","","","1.065","","","","has coordinates","171343","2020-10-21","18:00:00",""
"7154683","3.9589","0.0003","10.9827","0.0008","15.3508","0.0012","90","","93.0963","0.0019","90","","666.47","0.09","132","2","132","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C5 H6 N6 -","- C5 H6 N6 -","- C20 H24 N24 -","4","1","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0435","0.0358","","","0.1078","0.1149","","","","","","1.056","","","","has coordinates","171343","2020-10-21","18:00:00",""
"7154684","13.1418","0.001","5.9625","0.0005","6.768","0.0006","90","","90","","90","","530.33","0.08","132","2","132","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C4 H3 N5 O -","- C4 H3 N5 O -","- C16 H12 N20 O4 -","4","0.5","","Thomann, A.; Zapp, J.; Hutter, M.; Empting, M.; Hartmann, R. W.","Steering the azido-tetrazole equilibrium of 4-azidopyrimidines via substituent variation - implications for drug design and azide-alkyne cycloadditions.","Organic & biomolecular chemistry","2015","13","43","10620","10630","10.1039/c5ob01006c","","","0.71073","MoKα","","0.0674","0.0429","","","0.0993","0.1109","","","","","","1.053","","","","has coordinates","171343","2020-10-21","18:00:00",""
"7154685","9.528","0.003","7.509","0.002","11.706","0.004","90","","99.729","0.007","90","","825.5","0.4","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H16 Br N O4 -","- C18 H16 Br N O4 -","- C36 H32 Br2 N2 O8 -","2","1","","Zhang, Zhi-Pei; Dong, Nan; Li, Xin; Cheng, Jin-Pei","Highly enantioselective Michael addition reactions of 2-substituted benzofuran-3(2H)-ones to nitroolefins.","Organic & biomolecular chemistry","2015","13","39","9943","9947","10.1039/c5ob01691f","","","0.71075","MoKα","","0.0225","0.0197","","","0.0366","0.0368","","","","","","0.874","","","","has coordinates","162155","2020-10-21","18:00:00",""
"7154686","15.973","0.003","8.5673","0.0015","28.865","0.005","90","","93.316","0.004","90","","3943.4","1.2","373","2","373","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H36 Br2 N4 O4 -","- C48 H36 Br2 N4 O4 -","- C192 H144 Br8 N16 O16 -","4","1","","Khan, Rehan; Idris, Muazzam; Tuncel, Dönüs","Synthesis and investigation of singlet oxygen production efficiency of photosensitizers based on meso-phenyl-2,5-thienylene linked porphyrin oligomers and polymers.","Organic & biomolecular chemistry","2015","13","42","10496","10504","10.1039/c5ob01435b","","","0.71073","MoKα","","0.0693","0.0549","","","0.1148","0.1218","","","","","","1.119","","","","has coordinates","171358","2020-10-21","18:00:00",""
"7154687","23.99","0.03","16.08","0.03","10.433","0.015","90","","102.51","0.07","90","","3929","11","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H36 Br2 N4 O4 -","- C48 H36 Br2 N4 O4 -","- C192 H144 Br8 N16 O16 -","4","0.5","","Khan, Rehan; Idris, Muazzam; Tuncel, Dönüs","Synthesis and investigation of singlet oxygen production efficiency of photosensitizers based on meso-phenyl-2,5-thienylene linked porphyrin oligomers and polymers.","Organic & biomolecular chemistry","2015","13","42","10496","10504","10.1039/c5ob01435b","","","0.71073","MoKα","","0.1023","0.0895","","","0.2083","0.216","","","","","","1.195","","","","has coordinates","171358","2020-10-21","18:00:00",""
"7154688","22.4744","0.0009","49.168","0.002","12.4218","0.0005","90","","90","","90","","13726.4","1","150","2","150","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C13 H13 N3 O -","- C13 H13 N3 O -","- C624 H624 N144 O48 -","48","3","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","1.54178","CuKα","","0.0892","0.0601","","","0.1599","0.21","","","","","","0.833","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154689","9.1046","0.0002","10.2134","0.0002","19.7287","0.0005","90","","90.687","0.001","90","","1834.42","0.07","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C84 H84 N12 O6 -","6","3","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.0421","0.0367","","","0.0841","0.0931","","","","","","0.959","","","","has coordinates","182989","2020-10-21","18:00:00",""
"7154690","14.2584","0.0005","14.3343","0.0005","11.7845","0.0004","90","","90","","90","","2408.57","0.14","150","2","150","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C14 H14 N2 O -","- C14 H14 N2 O -","- C112 H112 N16 O8 -","8","2","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.046","0.0381","","","0.0976","0.1018","","","","","","1.028","","","","has coordinates","193656","2020-10-21","18:00:00",""
"7154691","16.085","0.0012","15.4499","0.0015","25.045","0.002","90","","101.694","0.004","90","","6094.8","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C65 H67 Br N8 O8 -","- C65 H67 Br N8 O8 -","- C260 H268 Br4 N32 O32 -","4","0.5","","Phani Babu Tiruveedhula, V. V. N.; Methuku, Kashi Reddy; Deschamps, Jeffrey R.; Cook, James M.","Synthesis of aza and carbocyclic β-carbolines for the treatment of alcohol abuse. Regiospecific solution to the problem of 3,6-disubstituted β- and aza-β-carboline specificity.","Organic & biomolecular chemistry","2015","13","43","10705","10715","10.1039/c5ob01572c","","","0.71073","MoKα","","0.0943","0.0701","","","0.1978","0.2204","","","","","","1","","","","has coordinates","171345","2020-10-21","18:00:00",""
"7154692","9.858","0.005","10.06","0.005","15.468","0.008","107.265","0.015","98.346","0.015","94.368","0.016","1437.8","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H25 Cl N2 O3 S -","- C33 H25 Cl N2 O3 S -","- C66 H50 Cl2 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1205","0.0569","","","0.1365","0.1599","","","","","","1.018","","","","has coordinates,has disorder","171340","2020-10-21","18:00:00",""
"7154693","9.769","0.0011","13.1644","0.0013","14.4577","0.0014","68.08","0.003","77.97","0.003","75.448","0.003","1655.9","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C39 H28 Cl2 N2 O3 S -","- C39 H28 Cl2 N2 O3 S -","- C78 H56 Cl4 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.096","0.0519","","","0.1239","0.1466","","","","","","1.054","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154694","9.7111","0.001","13.1409","0.0015","14.4778","0.0016","68.243","0.003","77.852","0.003","74.805","0.003","1642.7","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H25 Cl3 N2 O3 S -","- C38 H25 Cl3 N2 O3 S -","- C76 H50 Cl6 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1022","0.0534","","","0.1174","0.1357","","","","","","1.022","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154695","10.008","0.0012","13.0276","0.0014","14.4607","0.0016","69.088","0.003","75.86","0.003","75.069","0.003","1677.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H31 Cl N2 O4 S -","- C40 H31 Cl N2 O4 S -","- C80 H62 Cl2 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.0849","0.0482","","","0.1164","0.1362","","","","","","1.052","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154696","10.6152","0.0019","12.5567","0.0019","15.206","0.002","70.076","0.004","71.09","0.005","65.406","0.005","1692.8","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H28 Cl4 N2 O4 S -","- C35 H28 Cl4 N2 O4 S -","- C70 H56 Cl8 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1815","0.0781","","","0.1723","0.2204","","","","","","1.037","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154697","10.8287","0.0012","12.2767","0.0012","14.9417","0.0016","70.307","0.003","71.694","0.003","64.943","0.003","1659.6","0.3","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H28 Cl3 F N2 O4 S -","- C35 H28 Cl3 F N2 O4 S -","- C70 H56 Cl6 F2 N4 O8 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.101","0.0599","","","0.1586","0.1849","","","","","","1.036","","","","has coordinates,has disorder","171340","2020-10-21","18:00:00",""
"7154698","10.1987","0.0013","12.6875","0.0015","13.8047","0.0018","102.851","0.004","96.021","0.004","101.52","0.004","1685.5","0.4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H26 Cl2 N2 O3 S -","- C35 H26 Cl2 N2 O3 S -","- C70 H52 Cl4 N4 O6 S2 -","2","1","","Shen, Guo-Liang; Sun, Jing; Yan, Chao-Guo","Diastereoselective synthesis of spiro[benzo[d]pyrrolo[2,1-b]thiazole-3,3'-indolines] via cycloaddition reaction of N-phenacylbenzothiazolium bromides and 3-methyleneoxindoles.","Organic & biomolecular chemistry","2015","13","44","10929","10938","10.1039/c5ob01374g","","","0.71073","MoKα","","0.1356","0.065","","","0.1658","0.1865","","","","","","1.05","","","","has coordinates","171340","2020-10-21","18:00:00",""
"7154699","17.53","0.003","9.8","0.002","26.749","0.005","90","","92.39","0.03","90","","4591.3","1.5","293","2","293","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C157 H59 Cl3 N2 -","- C157 H59 Cl3 N2 -","- C314 H118 Cl6 N4 -","2","1","","Zhang, Bolong; White, Jonathan M.; Jones, David J.; Wong, Wallace W. H.","Regioselective synthesis of fullerene multiadducts via tether-directed 1,3-dipolar cycloaddition.","Organic & biomolecular chemistry","2015","13","42","10505","10510","10.1039/c5ob01630d","","","0.71073","Synchrotron","","0.1687","0.1435","","","0.3772","0.4076","","","","","","1.579","","","","has coordinates","171354","2020-10-21","18:00:00",""
"7154700","7.467","0.0013","13.272","0.002","16.898","0.003","90","","90","","90","","1674.6","0.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 S -","- C20 H16 O2 S -","- C80 H64 O8 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0363","0.0318","","","0.0852","0.0889","","","","","","1.045","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154701","9.8536","0.0002","23.1341","0.0005","8.1728","0.0002","90","","91.599","0.0011","90","","1862.3","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 O4 S -","- C22 H18 O4 S -","- C88 H72 O16 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0694","0.0438","","","0.1087","0.1216","","","","","","1.044","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154702","15.1983","0.0006","7.2853","0.0003","14.9398","0.0005","90","","98.879","0.002","90","","1634.37","0.11","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 S -","- C20 H16 O3 S -","- C80 H64 O12 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.045","0.0351","","","0.096","0.1041","","","","","","1.04","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154703","16.8761","0.0006","16.8184","0.0006","7.2259","0.0003","90","","90","","90","","2050.92","0.13","304","2","304","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C25 H18 Cl N O2 S -","- C25 H18 Cl N O2 S -","- C100 H72 Cl4 N4 O8 S4 -","4","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.0343","0.0291","","","0.0739","0.0774","","","","","","1.05","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154704","16.864","0.003","7.2505","0.0013","32.735","0.006","90","","90","","90","","4002.6","1.2","200","2","200","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C25 H16 Cl N O2 S -","- C25 H16 Cl N O2 S -","- C200 H128 Cl8 N8 O16 S8 -","8","1","","Boufroura, H.; Souibgui, A.; Gaucher, A.; Marrot, J.; Pieters, G.; Aloui, F.; Ben Hassine, B.; Clavier, G.; Prim, D.","3D shapes of aryl(dihydro)naphthothiophenes: a comprehensive and structural study.","Organic & biomolecular chemistry","2015","13","44","10844","10851","10.1039/c5ob01583a","","","0.71073","MoKα","","0.2009","0.1412","","","0.3957","0.4273","","","","","","1.14","","","","has coordinates","171338","2020-10-21","18:00:00",""
"7154705","6.1577","0.001","7.3665","0.0013","11.253","0.002","90","","91.935","0.005","90","","510.15","0.15","123","","123","","","","","","","","","4","P 1 21 1","P 2yb","4","","(S)-3-(thiophen-3-yl)-1,3-dihydro-2-benzofuran-1-one","","- C12 H8 O2 S -","- C12 H8 O2 S -","- C24 H16 O4 S2 -","2","1","","Yohda, Masaaki; Yamamoto, Yasunori","Enantioselective addition of arylboronic acids to methyl 2-formylbenzoates by using a ruthenium/Me-BIPAM catalyst for synthesis of chiral 3-aryl-isobenzofuranones.","Organic & biomolecular chemistry","2015","13","44","10874","10880","10.1039/c5ob01661d","","","0.71075","MoKα","","","0.0442","","","","0.1171","","","","","","0.997","","","","has coordinates","171339","2020-10-21","18:00:00",""
"7154706","9.0781","0.0003","15.5615","0.0006","12.3439","0.0005","90","","95.119","0.001","90","","1736.85","0.11","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(1 R,3a S,4 S,7 R,7a R)-2-benzoyl-N-(tert-butyl)-2,3,3a,4,7,7a-hexahydro-1H-4,7-epoxyisoindole-1-carboxamide","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C80 H96 N8 O12 -","4","1","","de Graaff, C.; Bensch, L.; van Lint, Matthijs J.; Ruijter, E.; Orru, R. V. A.","IBX-mediated oxidation of unactivated cyclic amines: application in highly diastereoselective oxidative Ugi-type and aza-Friedel-Crafts reactions.","Organic & biomolecular chemistry","2015","13","40","10108","10112","10.1039/c5ob01519g","","","1.54184","CuKα","","0.0338","0.033","","","0.0809","0.0817","","","","","","1.06","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154707","13.5456","0.0013","10.4106","0.001","27.394","0.003","90","","96.946","0.002","90","","3834.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-MeOH","","- C40 H35 Cl N10 O8.5 -","- C40 H35 Cl N10 O8.5 -","- C160 H140 Cl4 N40 O34 -","4","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.1096","0.0893","","","0.2289","0.2431","","","","","","1.087","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154708","13.4052","0.0015","10.3199","0.0012","28.307","0.003","90","","94.87","0.002","90","","3901.9","0.8","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","21-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39.001 H34.002 Cl2.002 N10 O9 -","- C156.004 H136.008 Cl8.008 N40 O36 -","4","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.1001","0.0845","","","0.2178","0.228","","","","","","1.11","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154709","13.4675","0.0016","10.3791","0.0012","13.7432","0.0016","90","","95.61","0.002","90","","1911.8","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","22-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0616","0.0532","","","0.1398","0.1496","","","","","","1.072","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154710","13.5062","0.0016","10.3752","0.0012","13.7885","0.0016","90","","95.675","0.003","90","","1922.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","23-H2O.cif","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0561","0.0517","","","0.135","0.139","","","","","","1.039","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154711","13.4731","0.0013","10.3806","0.001","13.7581","0.0014","90","","95.674","0.002","90","","1914.8","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","24-H2O","","- C39 H34 Cl2 N10 O9 -","- C39 H34 Cl2 N10 O9 -","- C78 H68 Cl4 N20 O18 -","2","1","","Ma, Wenliang; Wang, Chunquan; Li, Juntong; Zhang, Kun; Lu, Yu-Jing; Huo, Yanping; Zeng, Huaqiang","The Dynamics, energetics and selectivity of water chain-containing aquapores created by the self-assembly of aquafoldamer molecules.","Organic & biomolecular chemistry","2015","13","43","10613","10619","10.1039/c5ob01732g","","","0.71073","MoKα","","0.0586","0.0535","","","0.1419","0.1465","","","","","","1.027","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154712","6.8637","0.001","11.7729","0.0016","13.271","0.0019","64.589","0.007","84.416","0.008","82.273","0.009","958.9","0.2","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H25 O -","- C25 H24 O2 -","- C50 H48 O4 -","2","1","","Rao, V. Kameswara; Kaswan, Pinku; Parang, Keykavous; Kumar, Anil","Indium triflate catalyzed microwave-assisted alkenylation of methoxyphenols: synthesis of indenes and chromenes.","Organic & biomolecular chemistry","2015","13","45","11072","11077","10.1039/c5ob01734c","","","0.71073","MoKα","","0.0612","0.044","","","0.1393","0.1513","","","","","","1.041","","","","has coordinates","171331","2020-10-21","18:00:00",""
"7154713","17.682","","10.244","","11.523","","90","","97.04","","90","","2071.48","","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H24 O4 -","- C25 H24 O4 -","- C100 H96 O16 -","4","1","","Rao, V. Kameswara; Kaswan, Pinku; Parang, Keykavous; Kumar, Anil","Indium triflate catalyzed microwave-assisted alkenylation of methoxyphenols: synthesis of indenes and chromenes.","Organic & biomolecular chemistry","2015","13","45","11072","11077","10.1039/c5ob01734c","","","0.71073","MoKα","","0.0856","0.0389","","","0.0803","0.0898","","","","","","0.82","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154714","9.895","0.003","11.505","0.005","14.869","0.004","71.806","0.005","80.889","0.002","82.139","0.005","1580.9","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H28 F6 N5 O2 P -","- C36 H28 F6 N5 O2 P -","- C72 H56 F12 N10 O4 P2 -","2","1","","Kumar, Rahul; Sandhu, Sana; Hundal, Geeta; Singh, Prabhpreet; Walia, Amandeep; Vanita, Vanita; Kumar, Subodh","A catalytic chemodosimetric approach for detection of nanomolar cyanide ions in water, blood serum and live cell imaging.","Organic & biomolecular chemistry","2015","13","45","11129","11139","10.1039/c5ob01617g","","","0.71073","MoKα","","0.0756","0.0564","","","0.1374","0.149","","","","","","1.057","","","","has coordinates","171332","2020-10-21","18:00:00",""
"7154715","9.816","0.004","11.381","0.004","13.411","0.006","99.225","0.019","92.06","0.02","100.585","0.019","1450.4","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H23 N3 O3 -","- C32 H23 N3 O3 -","- C64 H46 N6 O6 -","2","1","","Kumar, Rahul; Sandhu, Sana; Hundal, Geeta; Singh, Prabhpreet; Walia, Amandeep; Vanita, Vanita; Kumar, Subodh","A catalytic chemodosimetric approach for detection of nanomolar cyanide ions in water, blood serum and live cell imaging.","Organic & biomolecular chemistry","2015","13","45","11129","11139","10.1039/c5ob01617g","","","0.71073","MoKα","","0.0611","0.0431","","","0.1047","0.1103","","","","","","1.067","","","","has coordinates","171332","2020-10-21","18:00:00",""
"7154716","10.2728","0.0012","10.8678","0.0013","11.397","0.0013","110.392","0.005","108.076","0.005","91.105","0.005","1122.1","0.2","301.5","","301.5","","","","","","","","","4","P -1","-P 1","2","","methyl 3-(morpholino(phenyl)methyl)-2-phenylindolizine-1-carboxylate","","- C27 H26 N2 O3 -","- C27 H26 N2 O3 -","- C54 H52 N4 O6 -","2","1","","Jung, Youngeun; Kim, Ikyon","C3 functionalization of indolizines via In(iii)-catalyzed three-component reaction.","Organic & biomolecular chemistry","2015","13","45","10986","10994","10.1039/c5ob01657f","","","0.71073","MoKα","","0.0787","0.0479","","","0.1152","0.1309","","","","","","1.019","","","","has coordinates","171334","2020-10-21","18:00:00",""
"7154717","6.707","0.0001","9.455","0.0002","12.934","0.0003","110.616","0.001","95.007","0.001","95.594","0.001","757.49","0.03","293","2","293","2","","","","","","","","7","P -1","-P 1","2","BODIPY1","1-[4-(6-bromobenzo[1,3]dioxol-5-yl)-3a,4,5,9b-tetrahydro-3H-cyclopenta-[c]quinolin-8-yl]ethanone","","- C16 H10 B Br F2 N2 O2 -","- C16 H10 B Br F2 N2 O2 -","- C32 H20 B2 Br2 F4 N4 O4 -","2","1","","Papalia, T.; Lappano, R.; Barattucci, A.; Pisano, A.; Bruno, G.; Santolla, M. F.; Campagna, S.; De Marco, P.; Puntoriero, F.; De Francesco, E. M.; Rosano, C.; Maggiolini, M.; Bonaccorsi, P.","A Bodipy as a luminescent probe for detection of the G protein estrogen receptor (GPER).","Organic & biomolecular chemistry","2015","13","42","10437","10441","10.1039/c5ob01827g","","","0.71073","MoKα","","0.0345","0.0265","","","0.0608","0.0638","","","","","","1.016","","","","has coordinates","171359","2020-10-21","18:00:00",""
"7154718","10.6388","0.0003","9.0437","0.0003","24.8594","0.0008","90","","90","","90","","2391.83","0.13","99.97","0.1","99.97","0.1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C28 H30 N2 O5 -","- C28 H30 N2 O5 -","- C112 H120 N8 O20 -","4","1","","Marrs, Calum N.; Evans, Nicholas H.","The rapid synthesis and dynamic behaviour of an isophthalamide [2]catenane.","Organic & biomolecular chemistry","2015","13","45","11021","11025","10.1039/c5ob01770j","","x-ray","1.54184","CuKα","","0.0298","0.0288","","","0.0707","0.072","","","","","","1.043","","","","has coordinates","171333","2020-10-21","18:00:00",""
"7154719","21.3381","0.0009","10.9654","0.0003","25.5553","0.0009","90","","113.186","0.005","90","","5496.5","0.4","99.98","0.1","99.98","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C57.5 H61.56 Cl4.5 N4 O10 -","- C57.5 H61.561 Cl4.5 N4 O10 -","- C230 H246.244 Cl18 N16 O40 -","4","1","","Marrs, Calum N.; Evans, Nicholas H.","The rapid synthesis and dynamic behaviour of an isophthalamide [2]catenane.","Organic & biomolecular chemistry","2015","13","45","11021","11025","10.1039/c5ob01770j","","x-ray","1.54184","CuKα","","0.082","0.0504","","","0.1071","0.1225","","","","","","1.024","","","","has coordinates,has disorder","176429","2020-10-21","18:00:00",""
"7154720","8.7569","0.0006","17.2402","0.0013","12.0556","0.0009","90","","103.439","0.004","90","","1770.2","0.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 Cl2 Fe N3 O -","- C18 H14 Cl2 Fe N3 O -","- C72 H56 Cl8 Fe4 N12 O4 -","4","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.0647","0.0375","","","0.1098","0.1315","","","","","","0.89","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154721","8.5037","0.0011","8.8542","0.0013","13.785","0.002","90.32","0.007","103.174","0.006","101.734","0.006","988","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H16 Cl2 Fe N3 O -","- C22 H16 Cl2 Fe N3 O -","- C44 H32 Cl4 Fe2 N6 O2 -","2","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.06","0.0405","","","0.1143","0.1382","","","","","","1.153","","","","has coordinates","171348","2020-10-21","18:00:00",""
"7154722","9.942","0.005","16.486","0.005","22.002","0.005","90","0.005","102.222","0.005","90","0.005","3524","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C37 H30 Cl3 Fe N6 O6 -","- C37 H30 Cl3 Fe N6 O6 -","- C148 H120 Cl12 Fe4 N24 O24 -","4","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.1034","0.0623","","","0.1638","0.1898","","","","","","1.016","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154723","28.134","0.008","12.016","0.004","20.69","0.007","90","","97.965","0.011","90","","6927","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C38 H34 Fe N7 O6 -","- C38 H34 Fe N7 O6 -","- C304 H272 Fe8 N56 O48 -","8","1","","Tyagi, Nidhi; Chakraborty, Ajanta; Singh, Udai P.; Roy, Partha; Ghosh, Kaushik","Mononuclear iron(iii) complexes of tridentate ligands with efficient nuclease activity and studies of their cytotoxicity.","Organic & biomolecular chemistry","2015","13","47","11445","11458","10.1039/c5ob01623a","","","0.71073","MoKα","","0.0986","0.0623","","","0.1792","0.2055","","","","","","1.209","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154724","8.708","0.004","6.286","0.003","17.049","0.008","90","","92.583","0.007","90","","932.3","0.8","173.15","","173.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H19 Cl N2 O4 -","- C20 H19 Cl N2 O4 -","- C40 H38 Cl2 N4 O8 -","2","1","","Zhang, Chun-Lin; Wang, Dong-Ling; Chen, Kun-Quan; Ye, Song","N-Heterocyclic carbene-catalyzed [3 + 3] cyclocondensation of bromoenals with hydrazones: highly enantioselective synthesis of dihydropyridazones.","Organic & biomolecular chemistry","2015","13","46","11255","11262","10.1039/c5ob01748c","","","0.71073","MoKα","","0.0494","0.0452","","","0.1359","0.1396","","","","","","1.016","","","","has coordinates","171326","2020-10-21","18:00:00",""
"7154725","5.2823","0.0003","10.763","0.0007","27.6349","0.0017","90","","90","","90","","1571.14","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R,3R)-1-phenyl-3-(phenylamino)hexane-1,2-diol","","- C18 H23 N O2 -","- C18 H23 N O2 -","- C72 H92 N4 O8 -","4","1","","Luo, Lan; Yamamoto, Hisashi","Synthesis of virtually enantiopure aminodiols with three adjacent stereogenic centers by epoxidation and ring-opening.","Organic & biomolecular chemistry","2015","13","42","10466","10470","10.1039/c5ob01808k","","","1.54178","CuKα","","0.0661","0.051","","","0.1063","0.1134","","","","","","1.087","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7154727","8.59","0.0006","9.4711","0.0007","12.6798","0.001","107.793","0.003","92.053","0.003","114.166","0.003","880.65","0.12","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C45 H34 B2 O4 -","- C45 H34 B2 O4 -","- C45 H34 B2 O4 -","1","0.5","","Zhu, Jianan; Wei, Ying; Lin, Dongqing; Ou, Changjin; Xie, Linghai; Zhao, Yu; Huang, Wei","One-pot synthesis of benzoxaborole derivatives from the palladium-catalyzed cross-coupling reaction of alkoxydiboron with unprotected o-bromobenzylalcohols.","Organic & biomolecular chemistry","2015","13","46","11362","11368","10.1039/c5ob01781e","","","0.71073","MoKα","","0.127","0.0531","","","0.0993","0.1261","","","","","","1.012","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154728","12.2189","0.001","5.8949","0.0004","18.2917","0.0013","90","","105.995","0.002","90","","1266.53","0.16","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 Br N5 -","- C10 H16 Br N5 -","- C40 H64 Br4 N20 -","4","1","","Zhang, Chen; Huang, Bo; Bao, Ai-Qing; Li, Xiao; Guo, Shunna; Zhang, Jin-Quan; Xu, Jun-Zhi; Zhang, Rihao; Cui, Dong-Mei","Copper-catalyzed arylation of biguanide derivatives via C-N cross-coupling reactions.","Organic & biomolecular chemistry","2015","13","47","11432","11437","10.1039/c5ob01258a","","","0.71073","MoKα","","0.1608","0.1344","","","0.4046","0.4318","","","","","","1.711","","","","has coordinates","171351","2020-10-21","18:00:00",""
"7154729","10.7823","0.0004","11.5658","0.0003","11.9326","0.0004","90","","90.08","0.003","90","","1488.06","0.08","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 I N5 O -","- C11 H18 I N5 O -","- C44 H72 I4 N20 O4 -","4","1","","Zhang, Chen; Huang, Bo; Bao, Ai-Qing; Li, Xiao; Guo, Shunna; Zhang, Jin-Quan; Xu, Jun-Zhi; Zhang, Rihao; Cui, Dong-Mei","Copper-catalyzed arylation of biguanide derivatives via C-N cross-coupling reactions.","Organic & biomolecular chemistry","2015","13","47","11432","11437","10.1039/c5ob01258a","","","0.71073","MoKα","","0.0337","0.0276","","","0.0634","0.0669","","","","","","1.001","","","","has coordinates","171351","2020-10-21","18:00:00",""
"7154730","7.0673","0.0014","14.647","0.003","15.48","0.003","90","","90","","90","","1602.4","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N3 O5 -","- C17 H19 N3 O5 -","- C68 H76 N12 O20 -","4","1","","Disetti, Paolo; Moccia, Maria; Salazar Illera, Diana; Suresh, Surisetti; Adamo, Mauro F. A.","Catalytic enantioselective addition of isocyanoacetate to 3-methyl-4-nitro-5-styrylisoxazoles under phase transfer catalysis conditions.","Organic & biomolecular chemistry","2015","13","43","10609","10612","10.1039/c5ob01880c","","","0.71073","MoKα","","0.0338","0.0333","","","0.0928","0.0932","","","","","","1.05","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7154731","19.1544","0.0007","28.1718","0.0011","19.2631","0.0007","90","","104.865","0.001","90","","10046.8","0.7","93","2","93","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C53 H48 Cl2 N6 S2 -","- C53 H48 Cl2 N6 S2 -","- C424 H384 Cl16 N48 S16 -","8","1","","Maeda, Chihiro; Kurihara, Kosuke; Masuda, Motoki; Yoshioka, Naoki","Effects of cyano, ethynyl and ethylenedioxy groups on the photophysical properties of carbazole-based porphyrins.","Organic & biomolecular chemistry","2015","13","46","11286","11291","10.1039/c5ob01824b","","","0.71073","MoKα","","0.0982","0.0784","","","0.2188","0.2358","","","","","","1.026","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154732","12.3573","0.0005","13.8029","0.0001","17.2234","0.0013","71.455","0.015","82.166","0.016","64.049","0.014","2504.3","0.4","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C58.58 H68.68 Cl0.95 N2 O4 S2 -","- C58.542 H68.598 Cl0.972 N2 O4 S2 -","- C117.084 H137.196 Cl1.944 N4 O8 S4 -","2","1","","Maeda, Chihiro; Kurihara, Kosuke; Masuda, Motoki; Yoshioka, Naoki","Effects of cyano, ethynyl and ethylenedioxy groups on the photophysical properties of carbazole-based porphyrins.","Organic & biomolecular chemistry","2015","13","46","11286","11291","10.1039/c5ob01824b","","","1.54187","CuKα","","0.0678","0.0584","","","0.1655","0.172","","","","","","1.052","","","","has coordinates,has disorder","171324","2020-10-21","18:00:00",""
"7154734","15.2618","0.0006","13.0327","0.0005","17.7452","0.0008","90","","108.078","0.0012","90","","3355.3","0.2","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H26 Cu N2 O3 -","- C40 H26 Cu N2 O5.5 -","- C160 H104 Cu4 N8 O22 -","4","2","","Naganawa, Yuki; Aoyama, Tomotaka; Nishiyama, Hisao","Cu(ii)-catalyzed enantioselective oxygen atom transfer from oxaziridine to oxindole derivatives with chiral phenanthroline.","Organic & biomolecular chemistry","2015","13","47","11499","11506","10.1039/c5ob01840d","","","0.71073","MoKa","","0.0603","0.0577","","","0.1798","0.1826","","","","","","1.507","","","","has coordinates","171350","2020-10-21","18:00:00",""
"7154735","9.123","0.0018","14.399","0.003","15.26","0.003","90","","90","","90","","2004.6","0.7","297","","297","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O9 -","- C17 H23 N O9 -","- C68 H92 N4 O36 -","4","1","","Thomas, Baptiste; Pifferi, Carlo; Daskhan, Gour Chand; Fiore, Michele; Berthet, Nathalie; Renaudet, Olivier","Divergent and convergent synthesis of GalNAc-conjugated dendrimers using dual orthogonal ligations.","Organic & biomolecular chemistry","2015","13","47","11529","11538","10.1039/c5ob01870f","","x-ray","1.54184","Cukα","","0.0789","0.0456","","","0.1032","0.116","","","","","","1.085","","","","has coordinates","171352","2020-10-21","18:00:00",""
"7154736","10.3759","0.0006","5.9408","0.0003","37.263","0.003","90","","90","","90","","2296.9","0.3","173","2","173","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H28 N12 -","- C22 H28 N12 -","- C88 H112 N48 -","4","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Conformational promiscuity in triazolamers derived from quaternary amino acids mimics peptide behaviour.","Organic & biomolecular chemistry","2015","13","44","10797","10801","10.1039/c5ob01461a","","","0.71073","MoKα","","0.0589","0.0496","","","0.1208","0.1286","","","","","","1.041","","","","has coordinates","171414","2020-10-21","18:00:00",""
"7154737","5.8503","0.0009","11.3224","0.0012","24.444","0.004","90","","90.072","0.013","90","","1619.2","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C30 H39 N15 O2 -","- C30 H39 N15 O2 -","- C60 H78 N30 O4 -","2","1","","Solà, Jordi; Bolte, Michael; Alfonso, Ignacio","Conformational promiscuity in triazolamers derived from quaternary amino acids mimics peptide behaviour.","Organic & biomolecular chemistry","2015","13","44","10797","10801","10.1039/c5ob01461a","","","0.71073","MoKα","","0.1158","0.0719","","","0.1638","0.183","","","","","","0.926","","","","has coordinates","171341","2020-10-21","18:00:00",""
"7154738","9.1205","0.0007","22.1481","0.0018","11.2162","0.001","90","","100.14","0.008","90","","2230.3","0.3","","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 N2 O5 S -","- C25 H22 N2 O5 S -","- C100 H88 N8 O20 S4 -","4","1","","Bakthadoss, Manickam; Vinayagam, Varathan","A novel protocol for the facile construction of tetrahydroquinoline fused tricyclic frameworks via an intramolecular 1,3-dipolar nitrile oxide cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","39","10007","10014","10.1039/c5ob01060h","","","0.71073","MoKα","","0.1176","0.0641","","","0.1317","0.1605","","","","","","1.025","","","","has coordinates","206162","2020-10-21","18:00:00",""
"7154739","9.398","0.002","9.776","0.002","24.059","0.006","90","","90","","90","","2210.4","0.9","296","2","296","2","","","","","","","synthatic","6","P 21 21 21","P 2ac 2ab","19","3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile","3-(2-chlorophenyl)-5-tosyl-3,3a,4,5-tetrahydroisoxazolo [4,3-c] quinoline - 3a- carbonitrile","","- C24 H18 Cl N3 O3 S -","- C24 H18 Cl N3 O3 S -","- C96 H72 Cl4 N12 O12 S4 -","4","1","","Bakthadoss, Manickam; Vinayagam, Varathan","A novel protocol for the facile construction of tetrahydroquinoline fused tricyclic frameworks via an intramolecular 1,3-dipolar nitrile oxide cycloaddition reaction.","Organic & biomolecular chemistry","2015","13","39","10007","10014","10.1039/c5ob01060h","","","1.54178","CuKα","","0.09","0.0573","","","0.1529","0.1969","","","","","","1.097","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154748","18.151","0.004","9.375","0.002","20.204","0.004","90","","95.666","0.004","90","","3421.2","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 N3 O6 -","- C39 H35 N3 O6 -","- C156 H140 N12 O24 -","4","1","","Sarkar, Rajib; Chaudhuri, Tandrima; Karmakar, Animesh; Mukhopadhyay, Chhanda","Synthesis and photophysics of selective functionalized π-conjugated, blue light emitting, highly fluorescent C7-imidazo indolizine derivatives.","Organic & biomolecular chemistry","2015","13","48","11674","11686","10.1039/c5ob01646k","","","0.71073","MoKα","","0.0951","0.0666","","","0.2","0.2365","","","","","","0.913","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154749","8.685","0.003","14.214","0.004","14.72","0.004","90.883","0.004","105.896","0.004","100.876","0.003","1711.9","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H31 Br N3 O6 -","- C35 H26 Br N3 O8 -","- C70 H52 Br2 N6 O16 -","2","1","","Sarkar, Rajib; Chaudhuri, Tandrima; Karmakar, Animesh; Mukhopadhyay, Chhanda","Synthesis and photophysics of selective functionalized π-conjugated, blue light emitting, highly fluorescent C7-imidazo indolizine derivatives.","Organic & biomolecular chemistry","2015","13","48","11674","11686","10.1039/c5ob01646k","","","0.71073","MoKα","","0.1335","0.1213","","","0.3624","0.3775","","","","","","1.779","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154750","23.3264","0.0013","8.0732","0.0005","10.6434","0.0006","90","","92.206","0.005","90","","2002.9","0.2","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","Methyl 5-ethoxy-1-(4-fluorobenzyl)-3-(4-methoxyphenyl) -pyrrole-2-carboxylate","","- C22 H22 F N O4 -","- C22 H22 F N O4 -","- C88 H88 F4 N4 O16 -","4","1","","de la Cruz, Fabiola N.; López, Julio; Jiménez-Halla, J Óscar C; Flores-Álamo, Marcos; Tamaríz, Joaquín; Delgado, Francisco; Vázquez, Miguel A","Synthesis of novel polysubstituted N-benzyl-1H-pyrroles via a cascade reaction of alkynyl Fischer carbenes with α-imino glycine methyl esters.","Organic & biomolecular chemistry","2015","13","48","11753","11760","10.1039/c5ob01655j","","x-ray","0.71073","MoKα","","0.0749","0.0486","","","0.1156","0.1308","","","","","","1.026","","","","has coordinates","171328","2020-10-21","18:00:00",""
"7154751","14.9722","0.0005","15.3987","0.0005","21.4056","0.0006","96.271","0.002","101.891","0.002","99.527","0.002","4709.8","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C54 H74 N2 O2 -","- C54 H74 N2 O2 -","- C216 H296 N8 O8 -","4","2","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0682","0.0458","","","0.1126","0.1264","","","","","","0.993","","","","has coordinates","171325","2020-10-21","18:00:00",""
"7154752","14.4979","0.0013","12.8321","0.0012","30.827","0.003","90","","99.131","0.004","90","","5662.3","0.9","110","2","110","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C62 H70 Cl2 N4 O2 Ti -","- C62 H70 Cl2 N4 O2 Ti -","- C248 H280 Cl8 N16 O8 Ti4 -","4","1","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0616","0.0427","","","0.0949","0.1044","","","","","","1.023","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154753","21.982","0.001","12.4352","0.0006","19.3445","0.0013","90","","123.724","0.001","90","","4398","0.4","110","2","110","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C50 H60 N4 O2 -","- C50 H60 N4 O2 -","- C200 H240 N16 O8 -","4","0.5","","Rawat, Varun; Press, Konstantin; Goldberg, Israel; Vigalok, Arkadi","Straightforward synthesis and catalytic applications of rigid N,O-type calixarene ligands.","Organic & biomolecular chemistry","2015","13","46","11189","11193","10.1039/c5ob01987g","","","0.71073","MoKα","","0.0781","0.0705","","","0.208","0.2185","","","","","","0.984","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"7154756","5.927","0.005","8.999","0.005","13.598","0.005","106.549","0.005","97.092","0.005","94.09","0.005","685.6","0.7","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","Dimethyl 5-chloro-2-(2-diazoacetyl)phenylphosphoramidate","","- C10 H11 Cl N3 O4 P -","- C10 H11 Cl N3 O4 P -","- C20 H22 Cl2 N6 O8 P2 -","2","1","","Pramanik, Mukund M. D.; Rastogi, Namrata","Synthesis of α-diazo-β-keto esters, phosphonates and sulfones via acylbenzotriazole-mediated acylation of a diazomethyl anion.","Organic & biomolecular chemistry","2015","13","47","11567","11571","10.1039/c5ob01975c","","","0.71069","MoKα","","0.1159","0.0565","","","0.1252","0.1463","","","","","","1.037","","","","has coordinates","176428","2020-10-21","18:00:00",""
"7154784","5.391","0.0006","5.4434","0.0006","11.1433","0.0012","84.283","0.008","78.772","0.009","68.545","0.007","298.37","0.06","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","3-fluorobicyclo[1.1.1]pentane-1-carboxylic acid","","- C6 H7 F O2 -","- C6 H7 F O2 -","- C12 H14 F2 O4 -","2","1","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0884","0.0567","","","0.1333","0.1499","","","","","","1.041","","","","has coordinates","171330","2020-10-21","18:00:00",""
"7154785","18.9983","0.0006","11.2142","0.0003","20.2881","0.0007","90","","90","","90","","4322.4","0.2","153","2","153","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","tert-butyl (3-fluorobicyclo[1.1.1]pentan-1-yl)carbamate","","- C10 H16 F N O2 -","- C10 H16 F N O2 -","- C160 H256 F16 N16 O32 -","16","2","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0755","0.0456","","","0.1013","0.1183","","","","","","1.019","","","","has coordinates,has disorder","171330","2020-10-21","18:00:00",""
"7154786","20.8723","0.0011","5.5406","0.0003","9.5443","0.0005","90","","90","","90","","1103.75","0.1","153","2","153","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","1,3-bis(3-fluorobicyclo[1.1.1]pentan-1-yl)urea","","- C11 H14 F2 N2 O -","- C11 H14 F2 N2 O -","- C44 H56 F8 N8 O4 -","4","0.5","","Goh, Yi Ling; Adsool, Vikrant A.","Radical fluorination powered expedient synthesis of 3-fluorobicyclo[1.1.1]pentan-1-amine.","Organic & biomolecular chemistry","2015","13","48","11597","11601","10.1039/c5ob02066b","","","0.71073","MoKα","","0.0712","0.0428","","","0.0958","0.1129","","","","","","1.037","","","","has coordinates,has disorder","171330","2020-10-21","18:00:00",""
"7154841","12.5638","0.0005","13.9738","0.0005","18.3524","0.0006","87.76","0.002","87.387","0.002","89.741","0.002","3216.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H46 N9 O0.5 -","- C33 H46 N9 O0.5 -","- C132 H184 N36 O2 -","4","2","","Lippe, Jan; Seichter, Wilhelm; Mazik, Monika","Improved binding affinity and interesting selectivities of aminopyrimidine-bearing carbohydrate receptors in comparison with their aminopyridine analogues.","Organic & biomolecular chemistry","2015","13","48","11622","11632","10.1039/c5ob01757b","","","0.71073","MoKα","","0.065","0.0475","","","0.1178","0.1298","","","","","","1.032","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7154842","9.7878","0.0008","10.215","0.0008","12.0649","0.001","93.455","0.002","95.974","0.002","109.227","0.002","1127.05","0.16","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","18b","","- C21 H29 F3 N2 O5 -","- C21 H29 F3 N2 O5 -","- C42 H58 F6 N4 O10 -","2","1","","Lesma, Giordano; Bassanini, Ivan; Bortolozzi, Roberta; Colletto, Chiara; Bai, Ruoli; Hamel, Ernest; Meneghetti, Fiorella; Rainoldi, Giulia; Stucchi, Mattia; Sacchetti, Alessandro; Silvani, Alessandra; Viola, Giampietro","Complementary isonitrile-based multicomponent reactions for the synthesis of diversified cytotoxic hemiasterlin analogues.","Organic & biomolecular chemistry","2015","13","48","11633","11644","10.1039/c5ob01882j","","x-ray","0.71073","MoKα","","0.0604","0.0527","","","0.153","0.1633","","","","","","1.063","","","","has coordinates","170886","2020-10-21","18:00:00",""
"7157216","9.1475","0.0003","22.3413","0.0007","12.6753","0.0004","90","","100.559","0.001","90","","2546.55","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C43 H97 N7 O6 S -","- C43 H97 N7 O6 S -","- C86 H194 N14 O12 S2 -","2","1","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.0308","0.0306","","","0.0811","0.0813","","","","","","1.025","","","","has coordinates","233465","2020-10-21","18:00:00",""
"7157217","22.1618","0.0009","23.5118","0.0009","26.7043","0.0011","95.763","0.002","102.319","0.002","108.227","0.002","12701","0.9","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C56 H107.75 N10 O8.5 S -","- C56 H107.75 N10 O8.5 S -","- C448 H862 N80 O68 S8 -","8","4","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.1426","0.1141","","","0.3157","0.3477","","","","","","1.041","","","","has coordinates,has disorder","233465","2020-10-21","18:00:00",""
"7157218","59.086","0.002","9.0002","0.0004","18.4644","0.0006","90.05","0.002","105.8","0.002","89.986","0.002","9448.1","0.6","100","2","100","2","","","","","","","","5","C 1","C 1","1","","","","- C57 H109 N11 O8 S -","- C57 H108.999 N11 O8 S -","- C342 H653.992 N66 O48 S6 -","6","","","Jia, Chuandong; Wang, Qi-Qiang; Begum, Rowshan Ara; Day, Victor W.; Bowman-James, Kristin","Chelate effects in sulfate binding by amide/urea-based ligands.","Organic & biomolecular chemistry","2015","13","25","6953","6957","10.1039/c5ob00618j","","","1.54178","CuKα","","0.0596","0.0534","","","0.1353","0.1418","","","","","","1.017","","","","has coordinates,has disorder","233465","2020-10-21","18:00:00",""