# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T19:45:38+02:00
# 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 'The Journal of organic chemistry') AND volume = 82 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
"4032057","19.0544","0.0013","10.7505","0.0008","19.758","0.0014","90","","90","","90","","4047.3","0.5","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H24 N2 O2 S -","- C24 H24 N2 O2 S -","- C192 H192 N16 O16 S8 -","8","1","","Mal, Abhijit; Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Domino Ring-Opening Cyclization of Activated Aziridines with Indoles: Synthesis of Chiral Hexahydropyrroloindoles.","The Journal of organic chemistry","2017","82","1","4","11","10.1021/acs.joc.6b01731","","","0.71073","MoKα","","0.0863","0.0553","","","0.1335","0.1637","","","","","","1.05","","","","has coordinates","193547","2020-10-21","18:00:00",""
"4032058","16.913","0.007","8.048","0.003","16.567","0.007","90","","98.358","0.007","90","","2231.1","1.6","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H25 Br N2 O2 S -","- C25 H25 Br N2 O2 S -","- C100 H100 Br4 N8 O8 S4 -","4","1","","Mal, Abhijit; Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Ghorai, Manas K.","Domino Ring-Opening Cyclization of Activated Aziridines with Indoles: Synthesis of Chiral Hexahydropyrroloindoles.","The Journal of organic chemistry","2017","82","1","4","11","10.1021/acs.joc.6b01731","","","0.71073","MoKα","","0.0754","0.0493","","","0.1278","0.1597","","","","","","0.89","","","","has coordinates","193547","2020-10-21","18:00:00",""
"4032073","7.0004","0.001","21.017","0.003","10.9249","0.0017","90","0.0015","100.084","0.0016","90","0.0015","1582.5","0.4","173","2","173","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","1,2-bis(2-phenyl-1H-indol-3-yl)ethyne_1a","","","- C19 H18 N O2 -","- C19 H18 N O2 -","- C76 H72 N4 O8 -","4","1","","Ishikawa, Rino; Iwasawa, Ryosuke; Takiyama, Yuichiro; Yamauchi, Tomokazu; Iwanaga, Tetsuo; Takezaki, Makoto; Watanabe, Motonori; Teramoto, Naozumi; Shimasaki, Toshiaki; Shibata, Mitsuhiro","Synthesis of 1,2-Bis(2-aryl-1H-indol-3-yl)ethynes via 5-exo-Digonal Double Cyclization Reactions of 1,4-Bis(2-isocyanophenyl)buta-1,3-diyne with Aryl Grignard Reagents.","The Journal of organic chemistry","2017","82","1","652","663","10.1021/acs.joc.6b02668","","","0.7107","MoKα","","0.0489","0.0392","","","0.0952","0.1034","","","","","","1.052","","","","has coordinates","193531","2020-10-21","18:00:00",""
"4032075","14.9261","0.0002","12.3367","0.0001","18.0148","0.0002","90","","107.369","0.001","90","","3165.97","0.06","108.1","","108.1","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H37 N O5 -","- C40 H37 N O5 -","- C160 H148 N4 O20 -","4","2","","Wang, Chang; Jia, Hao; Zhang, Cheng; Gao, Zhenzhen; Zhou, Leijie; Yuan, Chunhao; Xiao, Yumei; Guo, Hongchao","Phosphine-Catalyzed Enantioselective [2+4] Cycloaddition to Synthesize Pyrrolidin-2-one Fused Dihydropyrans Using α-Substituted Allenoates as C2 Synthons.","The Journal of organic chemistry","2017","82","1","633","641","10.1021/acs.joc.6b02659","","","1.5418","CuKα","","0.0394","0.0378","","","0.0982","0.0999","","","","","","1.026","","","","has coordinates","193548","2020-10-21","18:00:00",""
"4032076","10.2286","0.0004","7.4574","0.0003","18.7761","0.0007","90","","102.144","0.003","90","","1400.17","0.1","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N2 O -","- C16 H18 N2 O -","- C64 H72 N8 O4 -","4","1","","Okugawa, Naoki; Moriyama, Katsuhiko; Togo, Hideo","Introduction of Quinolines and Isoquinolines onto Nonactivated α-C-H Bond of Tertiary Amides through a Radical Pathway.","The Journal of organic chemistry","2017","82","1","170","178","10.1021/acs.joc.6b02303","","","1.54178","CuKα","","0.0725","0.0585","","","0.1522","0.161","","","","","","1.078","","","","has coordinates,has disorder","193533","2020-10-21","18:00:00",""
"4032077","4.5847","0.0002","11.7037","0.0005","29.754","0.003","90","","90","","90","","1596.54","0.19","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C68 H88 O16 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0789","0.0653","","0.1509","0.1431","0.1509","","","","","","1.0037","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032078","4.6659","0.0003","11.9898","0.0009","13.673","0.001","90","","90.47","0.004","90","","764.89","0.09","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C34 H40 O8 -","2","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0414","0.0356","","0.0832","0.0804","0.0832","","","","","","1.0336","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032079","4.7176","0.0002","11.731","0.0004","13.7171","0.0006","90","","90.035","0.004","90","","759.13","0.05","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C34 H44 O8 -","2","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0802","0.0801","","0.2203","0.2202","0.2203","","","","","","1.0058","","","","has coordinates","193535","2020-10-21","18:00:00",""
"4032080","8.4129","0.0017","18.533","0.004","9.925","0.002","90","","112.62","0.03","90","","1428.4","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Harras, Marina; Milius, Wolfgang; Aitken, R. Alan; Schobert, Rainer","Syntheses of Combretastatins D-1, D-2, and D-4 via Ring Contraction by Flash Vacuum Pyrolysis.","The Journal of organic chemistry","2017","82","1","579","587","10.1021/acs.joc.6b02586","","","0.71073","MoKα","","0.2144","0.054","","","0.099","0.1358","","","","","","0.608","","","","has coordinates","193549","2020-10-21","18:00:00",""
"4032081","15.671","0.0007","9.7549","0.0003","28.7604","0.0016","90","","104.987","0.006","90","","4247","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O5 -","- C24 H24 N2 O5 -","- C192 H192 N16 O40 -","8","4","","Sun, Gui-Jun; Gong, Jun; Kang, Qiang","Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.","The Journal of organic chemistry","2017","82","1","796","803","10.1021/acs.joc.6b02583","","","1.54184","CuKα","","0.1219","0.1083","","","0.296","0.3083","","","","","","1.072","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032083","8.6743","0.0016","10.0778","0.0017","22.329","0.003","90","","90","","90","","1952","0.6","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C92 H100 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1368","0.0582","","","0.0813","0.0992","","","","","","0.982","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032084","20.988","0.002","10.9938","0.0012","17.5014","0.0019","90","","111.663","0.001","90","","3753","0.7","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 F N O2 S -","- C22 H22 F N O2 S -","- C176 H176 F8 N8 O16 S8 -","8","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0555","0.0434","","","0.1173","0.1327","","","","","","1.075","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032085","26.8944","0.001","6.4389","0.0002","12.7221","0.0005","90","","100.463","0.002","90","","2166.46","0.14","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H25 N O6 S -","- C24 H25 N O6 S -","- C96 H100 N4 O24 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0476","0.0361","","","0.0984","0.1057","","","","","","1.035","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032086","16.9926","0.0004","6.4698","0.0001","18.8075","0.0005","90","","109.766","0.001","90","","1945.85","0.08","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0636","0.0471","","","0.1201","0.1313","","","","","","1.055","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032087","10.034","0.003","9.082","0.003","20.17","0.007","90","","96.018","0.007","90","","1827.9","1","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C88 H92 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0681","0.0491","","","0.1299","0.1386","","","","","","1.041","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032088","9.9926","0.0005","14.1265","0.0006","31.0675","0.0015","90","","90","","90","","4385.5","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H23 N O4 S -","- C18 H23 N O4 S -","- C144 H184 N8 O32 S8 -","8","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.2378","0.0932","","","0.1816","0.2224","","","","","","0.895","","","","has coordinates,has disorder","193538","2020-10-21","18:00:00",""
"4032089","8.956","0.0007","14.3354","0.0012","17.8668","0.0014","90","","90","","90","","2293.9","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H27 N O2 S -","- C28 H27 N O2 S -","- C112 H108 N4 O8 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1857","0.0671","","","0.141","0.1951","","","","","","0.862","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032090","35.628","0.004","7.7768","0.0009","15.986","0.003","90","","105.13","0.004","90","","4275.7","1.1","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H31 N O4 S -","- C22 H31 N O4 S -","- C176 H248 N8 O32 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0758","0.0658","","","0.1895","0.196","","","","","","1.173","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032091","7.9999","0.0006","10.3733","0.0008","11.7494","0.0009","86.701","0.002","72.034","0.002","86.782","0.002","925.19","0.12","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O2 S -","- C22 H23 N O2 S -","- C44 H46 N2 O4 S2 -","2","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0553","0.0455","","","0.1328","0.1542","","","","","","1.131","","","","has coordinates","193538","2020-10-21","18:00:00",""
"4032092","7.6259","0.0015","10.43","0.002","17.696","0.004","90","","90","","90","","1407.5","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 F2 N2 O2 -","- C16 H12 F2 N2 O2 -","- C64 H48 F8 N8 O8 -","4","1","","Cai, Shangjun; Lin, Songyun; Yi, Xiangli; Xi, Chanjuan","Substrate-Controlled Transformation of Azobenzenes to Indazoles and Indoles via Rh(III)-Catalysis.","The Journal of organic chemistry","2017","82","1","512","520","10.1021/acs.joc.6b02548","","","0.71073","MoKα","","0.0374","0.0369","","","0.0883","0.0887","","","","","","1.053","","","","has coordinates","193544","2020-10-21","18:00:00",""
"4032093","5.9753","0.0016","26.495","0.008","29.833","0.009","90","","90","","90","","4723","2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H41 Br3 N10 O9 -","- C48 H41 Br3 N10 O9 -","- C192 H164 Br12 N40 O36 -","4","1","","Ma, Zhiqiang; You, Lin; Chen, Chuo","Stereocontrolled Formation of a [4.4]Heterospiro Ring System with Unexpected Inversion of Configuration at the Spirocenter.","The Journal of organic chemistry","2017","82","1","731","736","10.1021/acs.joc.6b02266","","","0.71075","MoKα","","0.0992","0.0855","","","0.1433","0.1492","","","","","","1.201","","","","has coordinates","193540","2020-10-21","18:00:00",""
"4032094","8.3581","0.0006","11.1996","0.0008","15.9048","0.001","90","","90","","90","","1488.81","0.18","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 O2 -","- C20 H16 O2 -","- C80 H64 O8 -","4","1","","Peraino, Nicholas J.; Kaster, Sven H.; Wheeler, Kraig A.; Kerrigan, Nessan J.","Asymmetric Synthesis of γ-Lactones through Koga Amine-Controlled Addition of Enediolates to α,β-Unsaturated Sulfoxonium Salts.","The Journal of organic chemistry","2017","82","1","606","615","10.1021/acs.joc.6b02622","","","1.54178","CuKα","","0.0298","0.0281","","","0.0681","0.069","","","","","","1.094","","","","has coordinates","193534","2020-10-21","18:00:00",""
"4032095","22.883","0.007","12.0629","0.0012","15.901","0.005","90","","132.43","0.05","90","","3240","3","123","2","123","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H22 Cl6 N4 O2 Se2 -","- C30 H22 Cl6 N4 O2 Se2 -","- C120 H88 Cl24 N16 O8 Se8 -","4","0.5","","Singh, Vijay P.; Poon, Jia-Fei; Yan, Jiajie; Lu, Xi; Ott, Marjam Karlsson; Butcher, Ray J.; Gates, Paul J.; Engman, Lars","Nitro-, Azo-, and Amino Derivatives of Ebselen: Synthesis, Structure, and Cytoprotective Effects.","The Journal of organic chemistry","2017","82","1","313","321","10.1021/acs.joc.6b02418","","","0.71073","MoKα","","0.1291","0.0707","","","0.1422","0.1754","","","","","","1.05","","","","has coordinates","193536","2020-10-21","18:00:00",""
"4032096","8.9772","0.0002","26.5501","0.0005","10.9101","0.0003","90","","96.2","0.002","90","","2585.16","0.1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O2 Se2 -","- C28 H26 N4 O2 Se2 -","- C112 H104 N16 O8 Se8 -","4","1","","Singh, Vijay P.; Poon, Jia-Fei; Yan, Jiajie; Lu, Xi; Ott, Marjam Karlsson; Butcher, Ray J.; Gates, Paul J.; Engman, Lars","Nitro-, Azo-, and Amino Derivatives of Ebselen: Synthesis, Structure, and Cytoprotective Effects.","The Journal of organic chemistry","2017","82","1","313","321","10.1021/acs.joc.6b02418","","","0.71073","MoKα","","0.0981","0.0543","","","0.0813","0.0921","","","","","","1.069","","","","has coordinates","193536","2020-10-21","18:00:00",""
"4032097","7.7553","0.0006","9.9664","0.0007","12.7439","0.001","96.96","0.009","91.765","0.01","107.208","0.009","931.67","0.13","291","2","291","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H22 N4 -","- C23 H22 N4 -","- C46 H44 N8 -","2","1","","Gers-Panther, Charlotte F; Fischer, Henry; Nordmann, Jan; Seiler, Theresa; Behnke, Thomas; Würth, Christian; Frank, Walter; Resch-Genger, Ute; Müller, Thomas J J","Four- and Five-Component Syntheses and Photophysical Properties of Emission Solvatochromic 3-Aminovinylquinoxalines.","The Journal of organic chemistry","2017","82","1","567","578","10.1021/acs.joc.6b02581","","","0.71073","MoKα","","0.0606","0.0491","","","0.132","0.139","","","","","","0.956","","","","has coordinates","193543","2020-10-21","18:00:00",""
"4032098","9.2902","0.0009","18.1269","0.0013","9.1449","0.0006","90","","90","","90","","1540","0.2","152.01","0.1","152.01","0.1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C21 H17 N O -","- C21 H17 N O -","- C84 H68 N4 O4 -","4","1","","Zhou, Qi; Zhang, Zhikun; Zhou, Yujing; Li, Shichao; Zhang, Yan; Wang, Jianbo","Palladium-Catalyzed Synthesis of Indoles and Isoquinolines with in Situ Generated Phosphinimine.","The Journal of organic chemistry","2017","82","1","48","56","10.1021/acs.joc.6b01864","","","0.71073","MoKα","","0.0948","0.0678","","","0.1467","0.1659","","","","","","1.06","","","","has coordinates","193537","2020-10-21","18:00:00",""
"4032099","25.807","0.003","16.852","0.003","13.031","0.0014","90","","112.568","0.003","90","","5233.2","1.3","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C55.5 H81 N2 O8.5 -","- C55.5 H81 N2 O8.5 -","- C222 H324 N8 O34 -","4","1","","Shi, Yong; Jiang, Xiao-Ling; Tian, Wei-Sheng","Synthesis of 12,12'-azo-13,13'-diepi-Ritterazine N.","The Journal of organic chemistry","2017","82","1","269","275","10.1021/acs.joc.6b02391","","","0.71073","MoKα","","0.0817","0.0666","","","0.1738","0.1878","","","","","","1.015","","","","has coordinates","193530","2020-10-21","18:00:00",""
"4032100","11.751","0.007","16.267","0.009","12.438","0.007","90","","99.143","0.008","90","","2347","2","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O5 S -","- C25 H25 N O5 S -","- C100 H100 N4 O20 S4 -","4","1","","Jiang, Jin; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","P(NMe2)3-Mediated Aziridination of Imines with α-Ketoesters for Synthesis of Aziridine-2-carboxylates.","The Journal of organic chemistry","2017","82","1","811","818","10.1021/acs.joc.6b02669","","","0.71073","MoKα","","0.1215","0.0517","","","0.1159","0.1451","","","","","","0.999","","","","has coordinates","193532","2020-10-21","18:00:00",""
"4032101","8.702","0.003","19.376","0.006","18.853","0.006","90","","97.275","0.004","90","","3153.2","1.8","110.15","","110.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H35 N2 O2 P Pd -","- C37 H35 N2 O2 P Pd -","- C148 H140 N8 O8 P4 Pd4 -","4","1","","Vignesh, Arumugam; Bhuvanesh, Nattamai S. P.; Dharmaraj, Nallasamy","Conversion of Arylboronic Acids to Tetrazoles Catalyzed by ONO Pincer-Type Palladium Complex.","The Journal of organic chemistry","2017","82","2","887","892","10.1021/acs.joc.6b02277","","","0.71073","MoKα","","0.0983","0.0584","","","0.0982","0.1133","","","","","","1.065","","","","has coordinates,has disorder","193581","2020-10-21","18:00:00",""
"4032102","7.3744","0.0009","9.888","0.002","12.55","0.003","92.519","0.017","100.158","0.015","107.744","0.016","853.3","0.3","295","","295","","","","","","","","","3","P -1","-P 1","2","","","","- C20 H22 N4 -","- C20 H22 N4 -","- C40 H44 N8 -","2","1","","Shinde, Anand H.; Arepally, Sagar; Baravkar, Mayur D.; Sharada, Duddu S.","Nickel-Catalyzed Aerobic Oxidative Isocyanide Insertion: Access to Benzimidazoquinazoline Derivatives via a Sequential Double Annulation Cascade (SDAC) Strategy.","The Journal of organic chemistry","2017","82","1","331","342","10.1021/acs.joc.6b02423","","","0.71073","MoKα","","0.112","0.0678","","","0.1565","0.189","","","","","","1.0914","","","","has coordinates","193541","2020-10-21","18:00:00",""
"4032103","10.2941","0.0003","18.8657","0.0005","10.2215","0.0003","90","","90","","90","","1985.07","0.1","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","S1480","","","- C25 H16 N O3 -","- C25 H16 N O3 -","- C100 H64 N4 O12 -","4","1","","Sharma, Satyasheel; Oh, Yongguk; Mishra, Neeraj Kumar; De, Umasankar; Jo, Hyeim; Sachan, Richa; Kim, Hyung Sik; Jung, Young Hoon; Kim, In Su","Rhodium-Catalyzed [3 + 2] Annulation of Cyclic N-Acyl Ketimines with Activated Olefins: Anticancer Activity of Spiroisoindolinones.","The Journal of organic chemistry","2017","82","7","3359","3367","10.1021/acs.joc.6b02708","","","0.71073","","","0.0723","0.0596","","","0.165","0.1749","","","","","","1.033","","","","has coordinates,has disorder","196148","2020-10-21","18:00:00",""
"4032104","6.56614","0.00012","12.6523","0.0002","16.1928","0.0003","90","","90","","90","","1345.25","0.04","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N5 O6 -","- C12 H15 N5 O6 -","- C48 H60 N20 O24 -","4","1","","Mitsuoka, Yasunori; Yamamoto, Tsuyoshi; Kugimiya, Akira; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Fujimura, Yuko; Kato, Yuki; Hari, Yoshiyuki; Obika, Satoshi","Triazole- and Tetrazole-Bridged Nucleic Acids: Synthesis, Duplex Stability, Nuclease Resistance, and in Vitro and in Vivo Antisense Potency.","The Journal of organic chemistry","2017","82","1","12","24","10.1021/acs.joc.6b02417","","","1.54187","CuKα","","0.028","0.0269","","","0.0667","0.0678","","","","","","1.097","","","","has coordinates","193542","2020-10-21","18:00:00",""
"4032105","6.53502","0.00016","12.7185","0.0003","16.1657","0.0004","90","","90","","90","","1343.62","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H14 N6 O6 -","- C11 H14 N6 O6 -","- C44 H56 N24 O24 -","4","1","","Mitsuoka, Yasunori; Yamamoto, Tsuyoshi; Kugimiya, Akira; Waki, Reiko; Wada, Fumito; Tahara, Saori; Sawamura, Motoki; Noda, Mio; Fujimura, Yuko; Kato, Yuki; Hari, Yoshiyuki; Obika, Satoshi","Triazole- and Tetrazole-Bridged Nucleic Acids: Synthesis, Duplex Stability, Nuclease Resistance, and in Vitro and in Vivo Antisense Potency.","The Journal of organic chemistry","2017","82","1","12","24","10.1021/acs.joc.6b02417","","","1.54187","CuKα","","0.0735","0.0573","","","0.1303","0.1559","","","","","","1.135","","","","has coordinates","193542","2020-10-21","18:00:00",""
"4032106","20.774","0.005","29.8","0.008","30.233","0.008","90","","108.12","0.004","90","","17788","8","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C60 H54 N4 -","- C60 H54 N4 -","- C840 H756 N56 -","14","3.5","","Saegusa, Yuta; Ishizuka, Tomoya; Shiota, Yoshihito; Yoshizawa, Kazunari; Kojima, Takahiko","Acid-Base Properties of a Freebase Form of a Quadruply Ring-Fused Porphyrin-Stepwise Protonation Induced by Rigid Ring-Fused Structure.","The Journal of organic chemistry","2017","82","1","322","330","10.1021/acs.joc.6b02419","","","0.71073","MoKα","","0.1244","0.0911","","","0.2185","0.2331","","","","","","1.081","","","","has coordinates","275206","2022-05-07","03:38:22",""
"4032107","6.4258","0.001","9.9859","0.0007","10.2112","0.0012","90","","107.515","0.015","90","","624.85","0.14","293","2","293","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C16 H16 O2 -","- C16 H16 O2 -","- C32 H32 O4 -","2","1","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M.","Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes.","The Journal of organic chemistry","2017","82","1","471","480","10.1021/acs.joc.6b02540","","x-ray","0.71073","MoKα","","0.035","0.0328","","","0.0873","0.0902","","","","","","0.924","","","","has coordinates","193545","2020-10-21","18:00:00",""
"4032108","33.509","0.004","13.9343","0.0014","20.097","0.003","90","","126.247","0.006","90","","7567.8","1.7","100","2","100.15","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C84 H62 Cl4 F10 N4 S4 -","- C84 H62 Cl4 F10 N4 S4 -","- C336 H248 Cl16 F40 N16 S16 -","4","0.5","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.164","0.0856","","","0.2279","0.2921","","","","","","1.054","","","","has coordinates","193539","2020-10-21","18:00:00",""
"4032109","13.0609","0.0014","14.0494","0.0016","22.454","0.003","77.832","0.003","75.363","0.003","85.051","0.003","3894.6","0.8","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C51 H40 Cl2 -","- C51 H40 Cl2 -","- C204 H160 Cl8 -","4","2","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0907","0.0672","","0.1223","0.0639","0.0603","","","","","","1.09","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032110","16.195","0.002","19.407","0.003","20.992","0.003","69.639","0.004","68.618","0.004","82.046","0.004","5759.2","1.4","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C50.67 H39.33 Cl1.33 -","- C50.6667 H39.3333 Cl1.33333 -","- C304 H236 Cl8 -","6","3","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.1088","0.091","","0.1396","0.0871","0.0836","","","","","","0.9597","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032111","10.72","0.0005","45.197","0.002","12.0719","0.0005","90","","114.696","0.0014","90","","5314","0.4","100","","100","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C64 H66 Cl4 -","- C64 H66 Cl4 -","- C256 H264 Cl16 -","4","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0892","0.0542","","0.0896","0.0477","0.0408","","","","","","1.1049","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032112","16.8971","0.001","6.0972","0.0004","16.0454","0.001","90","","106.609","0.0017","90","","1584.1","0.17","100","","100","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C46 H30 -","- C46 H30 -","- C92 H60 -","2","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0838","0.0549","","0.0991","0.0547","0.0508","","","","","","1.0846","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032113","13.1786","0.0005","13.3182","0.0005","14.4208","0.0006","92.0053","0.0016","110.536","0.0015","91.6484","0.0016","2366.5","0.16","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C59 H55 Cl3 -","- C59 H55 Cl3 -","- C118 H110 Cl6 -","2","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0621","0.041","","0.0801","0.0431","0.0408","","","","","","1.0599","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032114","18.391","0.003","5.5876","0.0009","26.892","0.005","90","","90.19","0.006","90","","2763.4","0.8","193","","193","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C70 H78 -","- C70 H78 -","- C140 H156 -","2","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.1729","0.0564","","0.1638","0.0532","0.0475","","","","","","1.047","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032115","12.3283","0.0009","17.541","0.0013","18.7671","0.0013","70.412","0.002","89.193","0.002","70.98","0.002","3594.1","0.5","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H106 Cl4 -","- C84 H106 Cl4 -","- C168 H212 Cl8 -","2","1","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.2517","0.0978","","0.314","0.085","0.0644","","","","","","1.0472","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032116","10.5493","0.0007","12.2119","0.0008","16.3716","0.0012","76.044","0.004","78.422","0.004","64.554","0.003","1836.9","0.2","100","","100","","","","","","","","","3","P -1","-P 1","2","","","","- C84 H104 Cl6 -","- C84 H104 Cl6 -","- C84 H104 Cl6 -","1","0.5","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.0775","0.0507","","0.0919","0.046","0.0399","","","","","","1.0871","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032117","14.7492","0.0005","30.0592","0.001","47.2671","0.0014","90","","94.95","0.003","90","","20877.7","1.2","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C49.05 Cl0.42 F21.89 O0.21 -","- C49.0526 Cl0.421053 F21.8947 O0.210526 -","- C932 Cl8 F416 O4 -","19","4.75","","Zhu, Chongwei; Rives, Arnaud; Duhayon, Carine; Maraval, Valérie; Chauvin, Remi","Lipidic Carbo-benzenes: Molecular Probes of Magnetic Anisotropy and Stacking Properties of α-Graphyne.","The Journal of organic chemistry","2017","82","2","925","935","10.1021/acs.joc.6b02397","","","0.71073","MoKα","","0.409","0.3367","","0.5549","0.3513","0.3384","","","","","","2.0267","","","","has coordinates","193584","2020-10-21","18:00:00",""
"4032118","18.7663","0.0013","16.4529","0.0006","9.1","0.0006","90","","123.702","0.01","90","","2337.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C58 H52 N4 O6 -","- C58 H52 N4 O6 -","- C116 H104 N8 O12 -","2","0.5","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.0633","0.0505","","","0.1256","0.1377","","","","","","1.03","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032119","11.15402","0.00015","17.9078","0.0003","12.87201","0.0002","90","","95.1831","0.0013","90","","2560.59","0.07","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H32 N2 O -","- C34 H32 N2 O -","- C136 H128 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","x-ray","1.54184","CuKα","","0.0447","0.0398","","","0.0989","0.1028","","","","","","1.025","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032120","8.11","0.0003","21.2864","0.001","17.7101","0.0003","90","","113.8","0.05","90","","2797.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H33 N2 O -","- C38 H33 N2 O -","- C152 H132 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.0505","0.0426","","","0.1004","0.1056","","","","","","1.032","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032121","10.5975","0.0003","13.6912","0.0003","20.7918","0.0005","90","","96.98","0.003","90","","2994.38","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C40 H34 N2 O -","- C40 H34 N2 O -","- C160 H136 N8 O4 -","4","1","","Filatov, Alexander S.; Knyazev, Nickolay A.; Molchanov, Alexander P.; Panikorovsky, Taras L.; Kostikov, Rafael R.; Larina, Anna G.; Boitsov, Vitali M.; Stepakov, Alexander V.","Synthesis of Functionalized 3-Spiro[cyclopropa[a]pyrrolizine]- and 3-Spiro[3-azabicyclo[3.1.0]hexane]oxindoles from Cyclopropenes and Azomethine Ylides via [3 + 2]-Cycloaddition.","The Journal of organic chemistry","2017","82","2","959","975","10.1021/acs.joc.6b02505","","","0.71073","MoKα","","0.05","0.0401","","","0.0935","0.0994","","","","","","1.014","","","","has coordinates","193585","2020-10-21","18:00:00",""
"4032122","10.8401","0.0012","7.0137","0.0008","11.9424","0.0015","90","","90","","90","","907.97","0.18","150","2","150","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C8 H5 Br I N -","- C8 H5 Br I N -","- C32 H20 Br4 I4 N4 -","4","0.5","","Das, Riki; Kapur, Manmohan","Palladium-Catalyzed, ortho-Selective C-H Halogenation of Benzyl Nitriles, Aryl Weinreb Amides, and Anilides.","The Journal of organic chemistry","2017","82","2","1114","1126","10.1021/acs.joc.6b02731","","","0.71073","MoKα","","0.0393","0.0315","","","0.1127","0.1196","","","","","","0.976","","","","has coordinates","193580","2020-10-21","18:00:00",""
"4032123","13.3403","0.0016","5.1091","0.0006","18.453","0.002","90","","109.944","0.004","90","","1182.3","0.2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 F N3 S2 -","- C12 H8 F N3 S2 -","- C48 H32 F4 N12 S8 -","4","1","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.0888","0.0511","","","0.1099","0.1242","","","","","","1.052","","","","has coordinates,has disorder","193578","2020-10-21","18:00:00",""
"4032124","14.975","0.006","18.45","0.008","12.193","0.005","90","","121.277","0.005","90","","2879","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H14 F N3 -","- C17 H14 F N3 -","- C136 H112 F8 N24 -","8","1","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.1113","0.0614","","","0.1549","0.1717","","","","","","0.86","","","","has coordinates,has disorder","193578","2020-10-21","18:00:00",""
"4032125","6.3021","0.0006","15.8764","0.0019","9.4266","0.0011","90","","103.133","0.012","90","","918.51","0.18","294.73","0.1","294.73","0.1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","x-ray","1.54184","CuKα","","0.0622","0.0497","","","0.1207","0.1441","","","","","","1.103","","","","has coordinates","193579","2020-10-21","18:00:00",""
"4032126","4.8642","0.0008","21.195","0.003","19.918","0.004","90","","94.449","0.008","90","","2047.3","0.6","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C24 H17 Cl3 N2 O -","- C24 H17 Cl3 N2 O -","- C96 H68 Cl12 N8 O4 -","4","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.1406","0.0666","","","0.123","0.1463","","","","","","1.073","","","","has coordinates","193576","2020-10-21","18:00:00",""
"4032127","7.8494","0.0002","11.18","0.0003","12.5458","0.0003","106.824","0.001","98.571","0.001","109.145","0.001","958.65","0.04","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C50 H44 N4 O4 -","2","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.0471","0.0379","","","0.0987","0.1047","","","","","","1.045","","","","has coordinates","193576","2020-10-21","18:00:00",""
"4032128","4.9314","0.0003","9.9036","0.0007","13.2788","0.001","97.898","0.006","91.398","0.006","102.64","0.006","625.8","0.08","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H20 N2 O2 -","- C12 H20 N2 O2 -","- C24 H40 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","1.54178","CuKα","","0.0508","0.0459","","","0.1284","0.1364","","","","","","1.034","","","","has coordinates","193577","2020-10-21","18:00:00",""
"4032129","18.8598","0.0012","6.0858","0.0005","9.8418","0.0006","90","","95.853","0.006","90","","1123.72","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H12 N4 O -","- C12 H12 N4 O -","- C48 H48 N16 O4 -","4","1","","Aruri, Hariprasad; Singh, Umed; Kumar, Mukesh; Sharma, Sumit; Aithagani, Sravan Kumar; Gupta, Vivek K.; Mignani, Serge; Vishwakarma, Ram A.; Singh, Parvinder Pal","Metal-free Cross-Dehydrogenative Coupling of HN-azoles with α-C(sp(3))-H Amides via C-H Activation and Its Mechanistic and Application Studies.","The Journal of organic chemistry","2017","82","2","1000","1012","10.1021/acs.joc.6b02448","","","0.71073","MoKα","","0.0668","0.0473","","","0.1166","0.1318","","","","","","1.077","","","","has coordinates","193583","2020-10-21","18:00:00",""
"4032130","9.2268","0.0006","10.1429","0.0005","19.5322","0.0014","90","","100.626","0.006","90","","1796.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Aruri, Hariprasad; Singh, Umed; Kumar, Mukesh; Sharma, Sumit; Aithagani, Sravan Kumar; Gupta, Vivek K.; Mignani, Serge; Vishwakarma, Ram A.; Singh, Parvinder Pal","Metal-free Cross-Dehydrogenative Coupling of HN-azoles with α-C(sp(3))-H Amides via C-H Activation and Its Mechanistic and Application Studies.","The Journal of organic chemistry","2017","82","2","1000","1012","10.1021/acs.joc.6b02448","","","0.71073","MoKα","","0.0627","0.0428","","","0.0899","0.1025","","","","","","1.052","","","","has coordinates","193583","2020-10-21","18:00:00",""
"4032131","8.9705","0.0004","9.4409","0.0007","10.5838","0.0007","96.267","0.006","111.946","0.005","99.63","0.005","805.1","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H18 O4 S -","- C19 H18 O4 S -","- C38 H36 O8 S2 -","2","1","","Wu, Wanqing; Yi, Songjian; Yu, Yue; Huang, Wei; Jiang, Huanfeng","Synthesis of Sulfonylated Lactones via Ag-Catalyzed Cascade Sulfonylation/Cyclization of 1,6-Enynes with Sodium Sulfinates.","The Journal of organic chemistry","2017","82","2","1224","1230","10.1021/acs.joc.6b02416","","","1.54178","CuKα","","0.0479","0.0408","","","0.0994","0.105","","","","","","1.05","","","","has coordinates","193582","2020-10-21","18:00:00",""
"4032132","10.2235","0.0003","7.176","0.0002","21.8858","0.0007","90","","102.953","0.001","90","","1564.77","0.08","100","0.2","100","0.2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 N O -","- C18 H29 N O -","- C72 H116 N4 O4 -","4","1","","Lin, Shih-Che; Chein, Rong-Jie","Total Synthesis of the Labdane Diterpenes Galanal A and B from Geraniol.","The Journal of organic chemistry","2017","82","3","1575","1583","10.1021/acs.joc.6b02766","","","0.71073","MoKα","","0.0514","0.0449","","","0.1055","0.1093","","","","","","1.054","","","","has coordinates","193590","2020-10-21","18:00:00",""
"4032133","19.3415","0.0003","7.1702","0.0001","11.3568","0.0002","90","","101.412","0.001","90","","1543.85","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 O2 -","- C18 H30 O2 -","- C72 H120 O8 -","4","1","","Lin, Shih-Che; Chein, Rong-Jie","Total Synthesis of the Labdane Diterpenes Galanal A and B from Geraniol.","The Journal of organic chemistry","2017","82","3","1575","1583","10.1021/acs.joc.6b02766","","","0.71073","MoKα","","0.0544","0.0413","","","0.1087","0.1271","","","","","","1.106","","","","has coordinates","193590","2020-10-21","18:00:00",""
"4032134","7.277","0.0001","10.8148","0.0001","19.2366","0.0003","90","","90","","90","","1513.91","0.03","130","","130","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O3 -","- C17 H24 O3 -","- C68 H96 O12 -","4","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0347","0.0343","","","0.0931","0.0934","","","","","","1.047","","","","has coordinates","193596","2020-10-21","18:00:00",""
"4032135","16.1787","0.0015","7.8957","0.0007","11.6365","0.001","90","","105.489","0.005","90","","1432.5","0.2","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H14 N O9 -","- C12 H14 N O9 -","- C48 H56 N4 O36 -","4","1","","Huang, Shengdian; Paletta, Joseph T.; Elajaili, Hanan; Huber, Kirby; Pink, Maren; Rajca, Suchada; Eaton, Gareth R.; Eaton, Sandra S.; Rajca, Andrzej","Synthesis and Electron Spin Relaxation of Tetracarboxylate Pyrroline Nitroxides.","The Journal of organic chemistry","2017","82","3","1538","1544","10.1021/acs.joc.6b02737","","","0.71073","MoKα","","0.0395","0.0324","","","0.0819","0.0865","","","","","","1.028","","","","has coordinates","193588","2020-10-21","18:00:00",""
"4032136","10.928","0.002","6.432","0.0013","19.345","0.004","90","","95.38","0.03","90","","1353.7","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","0.71073","MoKα","","0.1663","0.0742","","","0.0789","0.0978","","","","","","1.001","","","","has coordinates","193589","2020-10-21","18:00:00",""
"4032137","8.419","0.0001","17.2192","0.0001","18.2072","0.0001","90","","90","","90","","2639.47","0.04","290","2","290","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C116 H176 O12 -","4","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0317","0.0307","","","0.0852","0.0862","","","","","","1.039","","","","has coordinates","193589","2020-10-21","18:00:00",""
"4032138","17.976","0.004","8.7449","0.0017","18.806","0.004","90","","104.96","0.03","90","","2856.1","1.1","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C136 H160 O24 -","8","1","","Wu, Hao; Hsung, Richard P.; Tang, Yu","Total Syntheses of (±)-Rhodonoids A and B and C12-epi-Rhodonoid B.","The Journal of organic chemistry","2017","82","3","1545","1551","10.1021/acs.joc.6b02739","","","0.71073","MoKα","","0.0657","0.0498","","","0.1535","0.1746","","","","","","1.027","","","","has coordinates","193595","2020-10-21","18:00:00",""
"4032139","8.0238","0.0011","20.185","0.003","24.621","0.003","96.566","0.008","92.291","0.007","90.483","0.007","3958","0.9","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H20 N2 O5 S -","- C19 H20 N2 O5 S -","- C152 H160 N16 O40 S8 -","8","4","","Borah, Madhurjya; Borthakur, Upasana; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Morpholines from N-Tethered Alkenols: Total Synthesis of (±)-Chelonin A.","The Journal of organic chemistry","2017","82","3","1330","1339","10.1021/acs.joc.6b02260","","","0.71073","MoKα","","0.1946","0.1468","","","0.3316","0.3527","","","","","","1.262","","","","has coordinates","193601","2020-10-21","18:00:00",""
"4032140","6.1952","0.0005","10.7715","0.0008","27.987","0.003","90","","90","","90","","1867.6","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Borah, Madhurjya; Borthakur, Upasana; Saikia, Anil K.","Diastereoselective Synthesis of Substituted Morpholines from N-Tethered Alkenols: Total Synthesis of (±)-Chelonin A.","The Journal of organic chemistry","2017","82","3","1330","1339","10.1021/acs.joc.6b02260","","","0.71073","MoKα","","0.1895","0.1235","","","0.2528","0.3338","","","","","","1.108","","","","has coordinates","193601","2020-10-21","18:00:00",""
"4032141","7.476","0.002","11.875","0.003","18.314","0.007","80.19","0.03","86.76","0.03","75.499","0.018","1550.9","0.8","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C32.5 H27.9 Br Cl0.4 N5 O5 -","- C32.7 H24 Br Cl0.4 N5 O5 -","- C65.4 H48 Br2 Cl0.8 N10 O10 -","2","1","","Feng, Junjun; Li, Xin; Cheng, Jin-Pei","Enantioselective Organocatalyzed Vinylogous Michael Reactions of 3-Alkylidene Oxindoles with Enals.","The Journal of organic chemistry","2017","82","3","1412","1419","10.1021/acs.joc.6b02582","","","0.71073","MoKα","","0.0825","0.0615","","","0.1652","0.179","","","","","","1.067","","","","has coordinates,has disorder","193586","2020-10-21","18:00:00",""
"4032142","9.154","0.0007","9.2199","0.0007","10.1419","0.0007","64.85","0.007","84.832","0.006","67.071","0.007","710.67","0.11","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H14 O4 -","- C17 H14 O4 -","- C34 H28 O8 -","2","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0602","0.0531","","","0.1487","0.1593","","","","","","1.043","","","","has coordinates","193598","2020-10-21","18:00:00",""
"4032143","12.88956","0.00005","18.7538","0.00007","15.37317","0.00005","90","","95.7738","0.0003","90","","3697.28","0.02","169.91","0.1","169.91","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H52 N2 O6 Si -","- C37 H52 N2 O6 Si -","- C148 H208 N8 O24 Si4 -","4","2","","Suh, Young-Ger; Lim, Changjin; Sim, Jaehoon; Lee, Jae Kyun; Surh, Young-Joon; Paek, Seung-Mann","Construction of the Azacyclic Core of Tabernaemontanine-Related Alkaloids via Tandem Reformatsky-Aza-Claisen Rearrangement.","The Journal of organic chemistry","2017","82","3","1464","1470","10.1021/acs.joc.6b02648","","x-ray","1.54184","CuKα","","0.0479","0.0472","","","0.1245","0.1254","","","","","","1.069","","","","has coordinates,has disorder","193592","2020-10-21","18:00:00",""
"4032144","10.0753","0.0011","10.3677","0.0008","11.4126","0.0013","76.523","0.008","80.432","0.009","64.208","0.009","1041","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 N O6 -","- C22 H25 N O6 -","- C44 H50 N2 O12 -","2","1","","Liu, Qiang; Wang, Junlei; Li, Dazhi; Yang, Chao; Xia, Wujiong","Photoinduced Intermolecular [4+2] Cycloaddition Reaction for Construction of Benzobicyclo[2.2.2]octane Skeletons.","The Journal of organic chemistry","2017","82","3","1389","1402","10.1021/acs.joc.6b02547","","x-ray","0.71073","MoKα","","0.0904","0.0597","","","0.1468","0.1741","","","","","","1.022","","","","has coordinates,has disorder","193597","2020-10-21","18:00:00",""
"4032145","6.2021","0.0004","9.4154","0.0006","13.871","0.0009","73.687","0.003","84.003","0.003","83.209","0.003","769.78","0.09","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 F3 N3 O3 -","- C15 H14 F3 N3 O3 -","- C30 H28 F6 N6 O6 -","2","1","","Duret, Guillaume; Quinlan, Robert; Yin, Boyang; Martin, Rainer E.; Bisseret, Philippe; Neuburger, Markus; Gandon, Vincent; Blanchard, Nicolas","Intramolecular Inverse Electron-Demand [4 + 2] Cycloadditions of Ynamides with Pyrimidines: Scope and Density Functional Theory Insights.","The Journal of organic chemistry","2017","82","3","1726","1742","10.1021/acs.joc.6b02986","","","1.54178","CuKα","","0.033","0.0322","","0.0356","0.0334","0.0331","","","","","","1.1198","","","","has coordinates","193602","2020-10-21","18:00:00",""
"4032146","19.8806","0.0004","7.9531","0.0001","24.0117","0.0005","90","","101.629","0.0007","90","","3718.61","0.12","93","","93","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C51 H43 -","- C51 H43 -","- C204 H172 -","4","1","","Miyoshi, Hirokazu; Miki, Masahito; Hirano, Shintaro; Shimizu, Akihiro; Kishi, Ryohei; Fukuda, Kotaro; Shiomi, Daisuke; Sato, Kazunobu; Takui, Takeji; Hisaki, Ichiro; Nakano, Masayoshi; Tobe, Yoshito","Fluoreno[2,3-b]fluorene vs Indeno[2,1-b]fluorene: Unusual Relationship between the Number of π Electrons and Excitation Energy in m-Quinodimethane-Type Singlet Diradicaloids.","The Journal of organic chemistry","2017","82","3","1380","1388","10.1021/acs.joc.6b02500","","","0.8","synchrotron","","0.0568","0.0488","","","0.1253","0.1329","","","","","","1.065","","","","has coordinates,has disorder","193599","2020-10-21","18:00:00",""
"4032147","6.1336","0.0017","7.936","0.002","7.765","0.002","90","","94.959","0.004","90","","376.56","0.17","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- H8 N2 O8 S2 -","- H8 N2 O8 S2 -","- H16 N4 O16 S4 -","2","0.5","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","0.71073","MoKα","","0.0281","0.0256","","","0.0709","0.0729","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032148","6.8561","0.0017","7.0999","0.0014","7.969","0.002","70.08","0.006","88.026","0.007","79.211","0.008","358.08","0.15","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C10 H12 N2 O8 S2 -","- C10 H12 N2 O8 S2 -","- C10 H12 N2 O8 S2 -","1","0.5","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","","","","0.034","","","","","","","","","","","","","","","has coordinates","193594","2020-10-21","18:00:00",""
"4032149","8.226","0.002","14.044","0.004","7.005","0.002","90","","94.085","0.004","90","","807.2","0.4","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H9 N O4 S -","- C6 H9 N O4 S -","- C24 H36 N4 O16 S4 -","4","1","","Guo, Ya-Fei; Mahmood, Sajid; Xu, Bao-Hua; Yao, Xiao-Qian; He, Hong-Yan; Zhang, Suo-Jiang","Oxidation of Aromatic Aldehydes to Esters: A Sulfate Radical Redox System.","The Journal of organic chemistry","2017","82","3","1591","1599","10.1021/acs.joc.6b02775","","","0.71073","MoKα","","0.045","0.0386","","","0.0895","0.0933","","","","","","1.002","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032150","19.1715","0.0009","8.6293","0.0009","9.3029","0.0017","90","","102.648","0.005","90","","1501.7","0.3","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O2 S -","- C17 H17 N O2 S -","- C68 H68 N4 O8 S4 -","4","1","","Wen, Li-Rong; Dou, Qian; Wang, Yuan-Chao; Zhang, Jin-Wei; Guo, Wei-Si; Li, Ming","Synthesis of 1-Thio-Substituted Isoquinoline Derivatives by Tandem Cyclization of Isothiocyanates.","The Journal of organic chemistry","2017","82","3","1428","1436","10.1021/acs.joc.6b02605","","","0.71073","MoKα","","0.0451","0.0432","","","0.1027","0.104","","","","","","1.158","","","","has coordinates","193603","2020-10-21","18:00:00",""
"4032151","6.12","0.003","13.432","0.006","23.716","0.01","90","","90","","90","","1949.5","1.5","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H17 Br O5 -","- C23 H17 Br O5 -","- C92 H68 Br4 O20 -","4","1","","Wang, Yuanfeng; Pan, Jian; Dong, Jingjiao; Yu, Chenxia; Li, Tuanjie; Wang, Xiang-Shan; Shen, Shide; Yao, Changsheng","N-Heterocyclic Carbene-Catalyzed [4 + 2] Cyclization of Saturated Carboxylic Acid with o-Quinone Methides through in Situ Activation: Enantioselective Synthesis of Dihydrocoumarins.","The Journal of organic chemistry","2017","82","3","1790","1795","10.1021/acs.joc.6b02444","","","0.71073","MoKα","","0.0951","0.0386","","","0.0659","0.078","","","","","","1.028","","","","has coordinates","193587","2020-10-21","18:00:00",""
"4032153","7.8797","0.0011","10.6151","0.0016","19.258","0.003","90","","96.963","0.003","90","","1598.9","0.4","130","2","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N3 O3 -","- C19 H15 N3 O3 -","- C76 H60 N12 O12 -","4","1","","Meng, Jiang; Wen, Min; Zhang, Shiwei; Pan, Peiwen; Yu, Xingxin; Deng, Wei-Ping","Unexpected O-H Insertion of Rhodium-Azavinylcarbenes with N-Acylhydrazones: Divergent Synthesis of 3,6-Disubstituted- and 3,5,6-Trisubstituted-1,2,4-Triazines.","The Journal of organic chemistry","2017","82","3","1676","1687","10.1021/acs.joc.6b02846","","","0.71073","MoKα","","0.0784","0.0628","","","0.17","0.1797","","","","","","0.861","","","","has coordinates","193600","2020-10-21","18:00:00",""
"4032154","10.3517","0.0005","10.778","0.0005","21.814","0.0011","90","","94.68","0.004","90","","2425.7","0.2","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 N2 O6 -","- C27 H30 N2 O6 -","- C108 H120 N8 O24 -","4","1","","Dumoulin, Audrey; Bernadat, Guillaume; Masson, Géraldine","Enantioselective Three-Component Amination of Enecarbamates Enables the Synthesis of Structurally Complex Small Molecules.","The Journal of organic chemistry","2017","82","3","1775","1789","10.1021/acs.joc.6b03093","","x-ray","0.71073","MoKα","","0.0633","0.0432","","","0.1062","0.1123","","","","","","1.108","","","","has coordinates","193593","2020-10-21","18:00:00",""
"4032155","13.9058","0.0009","15.9471","0.0007","14.5652","0.0012","90","","115.575","0.009","90","","2913.5","0.4","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C128 H120 N24 O8 -","8","2","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0714","0.0469","","","0.1208","0.1371","","","","","","1.016","","","","has coordinates","193591","2020-10-21","18:00:00",""
"4032156","6.9266","0.0002","14.6572","0.0005","11.4985","0.0003","90","0.002","103.475","0.002","90","0.002","1135.24","0.06","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoindolehydroxylactam","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C56 H48 N8 O8 -","4","1","","Dutta, Manali; Mandal, Santi M.; Pegu, Rupa; Pratihar, Sanjay","Pd(II)/Ag(I)-Catalyzed Room-Temperature Reaction of γ-Hydroxy Lactams: Mechanism, Scope, and Antistaphylococcal Activity.","The Journal of organic chemistry","2017","82","4","2193","2198","10.1021/acs.joc.6b02378","","","0.71073","MoKα","","0.0551","0.0466","","","0.1232","0.145","","","","","","1.172","","","","has coordinates","193568","2020-10-21","18:00:00",""
"4032157","9.2359","0.0002","14.0859","0.0004","15.645","0.0004","90","","101.897","0.002","90","","1991.63","0.09","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Isoindole","","","- C25 H22 N2 O2 -","- C25 H22 N2 O2 -","- C100 H88 N8 O8 -","4","1","","Dutta, Manali; Mandal, Santi M.; Pegu, Rupa; Pratihar, Sanjay","Pd(II)/Ag(I)-Catalyzed Room-Temperature Reaction of γ-Hydroxy Lactams: Mechanism, Scope, and Antistaphylococcal Activity.","The Journal of organic chemistry","2017","82","4","2193","2198","10.1021/acs.joc.6b02378","","","0.71073","MoKα","","0.0831","0.0502","","","0.1308","0.1611","","","","","","1.099","","","","has coordinates","193568","2020-10-21","18:00:00",""
"4032158","9.5902","0.0002","9.9373","0.0003","10.7178","0.0003","90","","95.509","0.001","90","","1016.7","0.05","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O3 -","- C23 H27 N3 O3 -","- C46 H54 N6 O6 -","2","1","","Tong, Thu Minh Thi; Soeta, Takahiro; Suga, Takuya; Kawamoto, Keisuke; Hayashi, Yoshihito; Ukaji, Yutaka","Formal Total Synthesis of Manzacidin C Based on Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Imines.","The Journal of organic chemistry","2017","82","4","1969","1976","10.1021/acs.joc.6b02816","","","1.54178","CuKα","","0.0252","0.025","","","0.066","0.067","","","","","","1.079","","","","has coordinates","193565","2020-10-21","18:00:00",""
"4032159","15.476","0.002","12.9994","0.0017","5.4283","0.0007","90","","90","","90","","1092.1","0.2","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H9 Br O3 -","- C12 H9 Br O3 -","- C48 H36 Br4 O12 -","4","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0618","0.0516","","","0.1357","0.1435","","","","","","1.073","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032160","24","0.003","7.048","0.001","19.277","0.003","90","","117.566","0.002","90","","2890.6","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C152 H128 O24 -","8","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0902","0.0522","","","0.1434","0.1688","","","","","","1.015","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032161","7.493","0.0007","23.948","0.002","7.4662","0.0007","90","","91.094","0.001","90","","1339.5","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H13 Br O3 -","- C15 H13 Br O3 -","- C60 H52 Br4 O12 -","4","1","","Yang, Cheng; He, Xinwei; Zhang, Lanlan; Han, Guang; Zuo, Youpeng; Shang, Yongjia","Synthesis of Isocoumarins from Cyclic 2-Diazo-1,3-diketones and Benzoic Acids via Rh(III)-Catalyzed C-H Activation and Esterification.","The Journal of organic chemistry","2017","82","4","2081","2088","10.1021/acs.joc.6b02906","","","0.71073","MoKα","","0.0651","0.0462","","","0.105","0.1147","","","","","","1.034","","","","has coordinates","193575","2020-10-21","18:00:00",""
"4032162","9.127","0.0018","16.25","0.003","10.496","0.002","90","","102.373","0.005","90","","1520.5","0.5","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 F3 N -","- C18 H14 F3 N -","- C72 H56 F12 N4 -","4","1","","Hanakawa, Taisyun; Isa, Kazuki; Isobe, Shin-Ichi; Hoshino, Yuji; Zhou, Biao; Kawatsura, Motoi","Intramolecular Construction of Trifluoromethyl Group by the Palladium-Catalyzed Alkylation of 2,3,3-Trifluoroallylic Carbonates with Indoles.","The Journal of organic chemistry","2017","82","4","2281","2287","10.1021/acs.joc.6b03085","","","0.71075","MoKα","","","0.0554","","","","0.1507","","","","","","1.107","","","","has coordinates","193572","2020-10-21","18:00:00",""
"4032163","9.904","0.004","8.337","0.003","29.035","0.012","90","","94.111","0.009","90","","2391.2","1.6","173","","173","","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 F5 I N3 O P -","- C26 H14 F5 I N3 O P -","- C104 H56 F20 I4 N12 O4 P4 -","4","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.2221","0.0753","","","0.0983","0.1365","","","","","","1.036","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032164","12.546","0.002","8.1344","0.0014","17.974","0.003","90","","99.441","0.004","90","","1809.5","0.5","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 I O P -","- C20 H14 I O P -","- C80 H56 I4 O4 P4 -","4","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.0327","0.0266","","","0.0797","0.0831","","","","","","1.238","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032165","8.4788","0.0012","9.8691","0.0013","20.417","0.003","78.361","0.005","87.341","0.007","83.062","0.006","1660.6","0.4","93","","93","","","","","","","","","7","P -1","-P 1","2","","","","- C35 H31 F4 I N3 O3 P -","- C35 H31 F4 I N3 O3 P -","- C70 H62 F8 I2 N6 O6 P2 -","2","1","","Maugeri, Leonardo; Lébl, Tomáš; Cordes, David B.; Slawin, Alexandra M. Z.; Philp, Douglas","Cooperative Binding in a Phosphine Oxide-Based Halogen Bonded Dimer Drives Supramolecular Oligomerization.","The Journal of organic chemistry","2017","82","4","1986","1995","10.1021/acs.joc.6b02822","","","0.71075","MoKα","","0.0383","0.0357","","","0.1035","0.1055","","","","","","0.801","","","","has coordinates","193574","2020-10-21","18:00:00",""
"4032166","9.8605","0.0016","10.2577","0.0016","15.126","0.002","101.114","0.004","104.653","0.004","97.215","0.004","1427.7","0.4","296.15","","296.15","","","","","","","","","4","P 1","P 1","1","","","","- C38 H32 N2 O2 -","- C38 H32 N2 O2 -","- C76 H64 N4 O4 -","2","2","","Zheng, Yang; Chi, Yongjian; Bao, Ming; Qiu, Lihua; Xu, Xinfang","Gold-Catalyzed Tandem Dual Heterocyclization of Enynones with 1,3,5-Triazines: Bicyclic Furan Synthesis and Mechanistic Insights.","The Journal of organic chemistry","2017","82","4","2129","2135","10.1021/acs.joc.6b02947","","","0.71073","MoKα","","0.1467","0.0602","","","0.107","0.1296","","","","","","1.038","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032167","9.5426","0.0005","14.1928","0.0006","18.2177","0.0008","90","","90","","90","","2467.3","0.2","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 F6 N2 P -","- C24 H29 F6 N2 P -","- C96 H116 F24 N8 P4 -","4","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.0519","0.0416","","","0.0959","0.1048","","","","","","1.102","","","","has coordinates,has disorder","193566","2020-10-21","18:00:00",""
"4032168","10.0763","0.0004","10.0763","","46.527","0.002","90","","90","","120","","4091.1","0.2","150","2","150","2","","","","","","","synthesis as described","5","P 65","P 65","170","","","","- C27 H31 F6 N2 P -","- C27 H31 F6 N2 P -","- C162 H186 F36 N12 P6 -","6","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.066","0.0517","","","0.1318","0.1392","","","","","","1.056","","","","has coordinates","193566","2020-10-21","18:00:00",""
"4032169","15.1197","0.0009","17.6938","0.0011","28.1469","0.0017","90","","90","","90","","7530","0.8","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl Cu N2 -","- C27 H30 Cl Cu N2 -","- C324 H360 Cl12 Cu12 N24 -","12","3","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.1634","0.0679","","","0.0927","0.117","","","","","","0.971","","","","has coordinates","193566","2020-10-21","18:00:00",""
"4032170","9.6418","0.0005","13.0731","0.0007","16.4088","0.001","90","","90","","90","","2068.3","0.2","150","","150","","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 F6 N2 P -","- C19 H27 F6 N2 P -","- C76 H108 F24 N8 P4 -","4","1","","Tarrieu, Robert; Dumas, Adrien; Thongpaen, Jompol; Vives, Thomas; Roisnel, Thierry; Dorcet, Vincent; Crévisy, Christophe; Baslé, Olivier; Mauduit, Marc","Readily Accessible Unsymmetrical Unsaturated 2,6-Diisopropylphenyl N-Heterocyclic Carbene Ligands. Applications in Enantioselective Catalysis.","The Journal of organic chemistry","2017","82","4","1880","1887","10.1021/acs.joc.6b02888","","x-ray","0.71073","MoKα","","0.0519","0.0439","","","0.1079","0.1132","","","","","","1.019","","","","has coordinates,has disorder","193566","2020-10-21","18:00:00",""
"4032171","7.109","","18.078","","14.867","","90","","95.1","","90","","1903.09","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O2 S Se -","- C21 H18 O2 S Se -","- C84 H72 O8 S4 Se4 -","4","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.0448","0.0323","","","0.0976","0.114","","","","","","0.792","","","","has coordinates","209501","2020-10-21","18:00:00",""
"4032172","7.317","","8.14","","18.413","","86.1","","80.49","","64.64","","977.378","","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H21 Cl O2 S Se -","- C19 H21 Cl O2 S Se -","- C38 H42 Cl2 O4 S2 Se2 -","2","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.0932","0.06","","","0.2012","0.2497","","","","","","0.894","","","","has coordinates","193570","2020-10-21","18:00:00",""
"4032173","44.129","0.012","14.749","0.004","16.465","0.004","90","","108.637","0.003","90","","10154","5","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","49A","22-1 complex","","- C96 H92 N4 O12 S24 -","- C96 H92.91 N4 O12 S24 -","- C384 H371.64 N16 O48 S96 -","4","0.5","","Duedal, Troels; Nielsen, Kent A.; Olsen, Gunnar; Rasmussen, Charlotte B. G.; Kongsted, Jacob; Levillain, Eric; Breton, Tony; Miyazaki, Eigo; Takimiya, Kazuo; Bähring, Steffen; Jeppesen, Jan O.","Very Strong Binding for a Neutral Calix[4]pyrrole Receptor Displaying Positive Allosteric Binding.","The Journal of organic chemistry","2017","82","4","2123","2128","10.1021/acs.joc.6b02944","","","0.71073","MoKα","","0.119","0.0858","","","0.1732","0.19","","","","","","1.14","","","","has coordinates,has disorder","193567","2020-10-21","18:00:00",""
"4032174","17.3587","0.0013","5.2827","0.0004","26.4239","0.0015","90","","93.815","0.006","90","","2417.7","0.3","176","6","176","6","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C16 H10 N2 O2 -","- C16 H10 N2 O2 -","- C128 H80 N16 O16 -","8","1","","Liu, Xing-Xing; Luo, Xin-Liang; Wu, Zhao-Yang; Cui, Xin-Feng; Zhou, Xiao-Qiang; He, Yong-Qin; Huang, Guo-Sheng","Oxidative Recyclization of 1H-Indoles for Synthesis of 2-Indolylbenzoxazinones via Cleavage of the C2-C3 Bond with AIBN under Air.","The Journal of organic chemistry","2017","82","4","2107","2113","10.1021/acs.joc.6b02893","","x-ray","0.71073","MoKα","","0.0858","0.0543","","","0.1071","0.1309","","","","","","1.072","","","","has coordinates","193569","2020-10-21","18:00:00",""
"4032175","19.969","0.003","12.545","0.002","14.105","0.003","90","","96.313","0.004","90","","3512","1.1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H14 Cl N O2 -","- C23 H14 Cl N O2 -","- C184 H112 Cl8 N8 O16 -","8","2","","Huang, Chia-Yu; Kavala, Veerababurao; Kuo, Chun-Wei; Konala, Ashok; Yang, Tang-Hao; Yao, Ching-Fa","Synthesis of Biologically Active Indenoisoquinoline Derivatives via a One-Pot Copper(II)-Catalyzed Tandem Reaction.","The Journal of organic chemistry","2017","82","4","1961","1968","10.1021/acs.joc.6b02814","","","0.71073","MoKα","","0.1427","0.0847","","","0.2668","0.3061","","","","","","1.083","","","","has coordinates","193573","2020-10-21","18:00:00",""
"4032176","4.0329","0.0008","12.808","0.002","14.479","0.004","90","","91.794","0.008","90","","747.5","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H13 N O2 -","- C23 H13 N O2 -","- C46 H26 N2 O4 -","2","1","","Huang, Chia-Yu; Kavala, Veerababurao; Kuo, Chun-Wei; Konala, Ashok; Yang, Tang-Hao; Yao, Ching-Fa","Synthesis of Biologically Active Indenoisoquinoline Derivatives via a One-Pot Copper(II)-Catalyzed Tandem Reaction.","The Journal of organic chemistry","2017","82","4","1961","1968","10.1021/acs.joc.6b02814","","","0.71073","MoKα","","0.0584","0.042","","","0.0945","0.1071","","","","","","1.095","","","","has coordinates","193573","2020-10-21","18:00:00",""
"4032177","9.4357","0.0007","18.8121","0.0014","12.7774","0.0009","90","","99.29","0.001","90","","2238.3","0.3","130","","130","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 Br N2 -","- C29 H21 Br N2 -","- C116 H84 Br4 N8 -","4","1","","He, Ying-Ying; Sun, Xiao-Xue; Li, Guo-Hao; Mei, Guang-Jian; Shi, Feng","Substrate-Controlled Regioselective Arylations of 2-Indolylmethanols with Indoles: Synthesis of Bis(indolyl)methane and 3,3'-Bisindole Derivatives.","The Journal of organic chemistry","2017","82","5","2462","2471","10.1021/acs.joc.6b02850","","","0.71073","MoKα","","0.0522","0.0349","","","0.0804","0.0867","","","","","","1.021","","","","has coordinates","193550","2020-10-21","18:00:00",""
"4032178","9.3524","0.0003","9.4185","0.0003","12.0991","0.0004","109.872","0.0017","106.528","0.0017","92.9933","0.0016","947.68","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H19 N3 O -","- C23 H19 N3 O -","- C46 H38 N6 O2 -","2","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0503","0.0375","","","0.0921","0.1012","","","","","","1.044","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032179","9.4346","0.0002","13.9909","0.0004","14.0519","0.0004","90","","90","","90","","1854.83","0.08","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H19 N3 O -","- C22 H19 N3 O -","- C88 H76 N12 O4 -","4","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0382","0.0294","","","0.0649","0.0691","","","","","","1.047","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032180","17.3073","0.0007","9.4291","0.0004","17.5336","0.0007","90","","90","","90","","2861.3","0.2","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H14 N2 O -","- C18 H14 N2 O -","- C144 H112 N16 O8 -","8","1","","Sahoo, Harekrishna; Mukherjee, Sayan; Grandhi, Gowri Sankar; Selvakumar, Jayaraman; Baidya, Mahiuddin","Copper Catalyzed C-N Cross-Coupling Reaction of Aryl Boronic Acids at Room Temperature through Chelation Assistance.","The Journal of organic chemistry","2017","82","5","2764","2771","10.1021/acs.joc.7b00002","","","0.71073","MoKα","","0.0632","0.0385","","","0.0875","0.1009","","","","","","1.053","","","","has coordinates","193558","2020-10-21","18:00:00",""
"4032181","9.43","0.007","17.122","0.013","11.039","0.008","90","","102.114","0.008","90","","1743","2","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 N2 O5 -","- C19 H18 N2 O5 -","- C76 H72 N8 O20 -","4","1","","Bezanson, Michelle; Tomberg, Anna; Moitessier, Nicolas","Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism.","The Journal of organic chemistry","2017","82","5","2579","2588","10.1021/acs.joc.6b02999","","","0.71073","MoKα","","0.1082","0.0648","","","0.1924","0.237","","","","","","1.018","","","","has coordinates","193561","2020-10-21","18:00:00",""
"4032182","10.6227","0.0002","11.7438","0.0003","18.1448","0.0005","75.979","0.002","86.878","0.002","75.535","0.002","2126.48","0.09","100","0.1","100","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C20 H21 N3 O5 -","- C20 H21 N3 O5 -","- C80 H84 N12 O20 -","4","2","","Guchhait, Sankar K.; Hura, Neha; Shah, Archana P.","Synthesis of Polysubstituted 2-Aminoimidazoles via Alkene-Diamination of Guanidine with Conjugated α-Bromoalkenones.","The Journal of organic chemistry","2017","82","5","2745","2752","10.1021/acs.joc.6b03021","","x-ray","0.71073","MoKα","","0.0718","0.0553","","","0.1545","0.1705","","","","","","1.035","","","","has coordinates","193556","2020-10-21","18:00:00",""
"4032183","16.953","0.002","10.6145","0.0014","22.394","0.003","90","","108.248","0.005","90","","3827.1","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C168 H160 N16 O40 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.0666","0.0582","","","0.1727","0.1802","","","","","","1.077","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032184","23.0446","0.0019","6.2463","0.0005","15.0567","0.0012","90","","99.378","0.003","90","","2138.3","0.3","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H10 N2 O2 -","- C13 H10 N2 O2 -","- C104 H80 N16 O16 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.0422","0.0379","","","0.1027","0.1063","","","","","","1.046","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032185","25.879","0.002","7.4025","0.0006","13.146","0.001","90","","93.35","0.004","90","","2514.1","0.3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C120 H104 N8 O16 -","8","1","","Ravi, Manjula; Allu, Srinivasarao; Swamy, K. C. Kumara","Rhodium(III)-Catalyzed ortho-Alkylation of Phenoxy Substrates with Diazo Compounds via C-H Activation: A Case of Decarboxylative Pyrimidine/Pyridine Migratory Cyclization Rather than Removal of Pyrimidine/Pyridine Directing Group.","The Journal of organic chemistry","2017","82","5","2355","2363","10.1021/acs.joc.6b02693","","","0.71073","MoKα","","0.1014","0.0658","","","0.1662","0.182","","","","","","1.056","","","","has coordinates","193562","2020-10-21","18:00:00",""
"4032186","9.9417","0.0004","10.1104","0.0004","10.6132","0.0005","87.141","0.002","69.537","0.002","75.045","0.002","964.65","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N4 O3 -","- C22 H16 N4 O3 -","- C44 H32 N8 O6 -","2","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.0515","0.0419","","","0.1408","0.1613","","","","","","0.787","","","","has coordinates","193551","2020-10-21","18:00:00",""
"4032187","7.2554","0.0001","15.7659","0.0003","16.4944","0.0003","90","","90","","90","","1886.76","0.06","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H14 I N O5 S -","- C18 H14 I N O5 S -","- C72 H56 I4 N4 O20 S4 -","4","1","","Zhang, Sheng; Li, Lijun; Xin, Lilan; Liu, Wenmin; Xu, Kun","Asymmetric Aziridination of N-Sulphonyl Ketimines with Unfunctionalized Ketones: A One-pot Approach to Multisubstituted Fused Aziridines.","The Journal of organic chemistry","2017","82","5","2399","2406","10.1021/acs.joc.6b02827","","","1.54184","CuKα","","0.0852","0.0842","","","0.2177","0.2203","","","","","","1.047","","","","has coordinates","193555","2020-10-21","18:00:00",""
"4032188","9.083","0.002","10.211","0.002","35.645","0.007","90","","91.08","0.03","90","","3305.4","1.2","99","2","99","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H33 N O4 S2 -","- C42 H33 N O4 S2 -","- C168 H132 N4 O16 S8 -","4","1","","Raji Reddy, Chada; Rani Valleti, Reddi; Sathish, Puppala","[4 + 2] Benzannulation of 3-Alkenylpyrroles/Thiophenes with Propargylic Alcohols: Access to Substituted Indoles, Benzothiophenes, and Aza[5]helicenes.","The Journal of organic chemistry","2017","82","5","2345","2354","10.1021/acs.joc.6b02637","","","0.71073","MoKα","","0.066","0.0565","","","0.1474","0.1545","","","","","","1.034","","","","has coordinates,has disorder","193553","2020-10-21","18:00:00",""
"4032189","9.4036","0.0012","13.463","0.002","14.262","0.002","68.045","0.005","86.331","0.007","72.802","0.007","1597.5","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","BC-Ar","","","- C37 H38 Br N4 O3 -","- C37 H38 Br N4 O3 -","- C74 H76 Br2 N8 O6 -","2","1","","Zhang, Shaofei; Lindsey, Jonathan S.","Construction of the Bacteriochlorin Macrocycle with Concomitant Nazarov Cyclization To Form the Annulated Isocyclic Ring: Analogues of Bacteriochlorophyll a.","The Journal of organic chemistry","2017","82","5","2489","2504","10.1021/acs.joc.6b02878","","","0.71073","MoKα","","0.0663","0.038","","","0.0751","0.0828","","","","","","1.008","","","","has coordinates","193554","2020-10-21","18:00:00",""
"4032190","9.794","0.002","16.232","0.002","17.356","0.003","90","","105.695","0.011","90","","2656.3","0.8","150","2","150","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C31 H31 N O6 S -","- C31 H31 N O6 S -","- C124 H124 N4 O24 S4 -","4","1","","Lv, Leiyang; Li, Zhiping","Cycloalkylation of C(sp(3))-H Bond with Neighboring Carboxylic Acid as Traceless Activating Group.","The Journal of organic chemistry","2017","82","5","2689","2702","10.1021/acs.joc.6b03091","","","0.71073","MoKα","","0.0257","0.0251","","","0.0681","0.0686","","","","","","1.034","","","","has coordinates","193552","2020-10-21","18:00:00",""
"4032191","15.0129","0.0004","10.2314","0.0002","21.1073","0.0006","90","","101.85","0.001","90","","3173.05","0.14","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40.5 H39 N O5 S -","- C40.5 H39 N O5 S -","- C162 H156 N4 O20 S4 -","4","1","","Lv, Leiyang; Li, Zhiping","Cycloalkylation of C(sp(3))-H Bond with Neighboring Carboxylic Acid as Traceless Activating Group.","The Journal of organic chemistry","2017","82","5","2689","2702","10.1021/acs.joc.6b03091","","","0.71073","MoKα","","0.0879","0.0813","","","0.316","0.3271","","","","","","1.534","","","","has coordinates","268283","2021-08-30","06:31:21",""
"4032193","11.197","0.005","21.811","0.005","11.71","0.005","90","0.005","101.201","0.005","90","0.005","2805.3","1.8","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H31 F N2 O6 S -","- C31 H31 F N2 O6 S -","- C124 H124 F4 N8 O24 S4 -","4","1","","Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Babu, Raja; Nanaji, Yerramsetti; Ghorai, Manas K.","A Synthetic Route to Chiral 1,4-Disubstituted Tetrahydro-β-Carbolines via Domino Ring-Opening Cyclization of Activated Aziridines with 2-Vinylindoles.","The Journal of organic chemistry","2017","82","5","2364","2374","10.1021/acs.joc.6b02719","","","0.71073","MoKα","","0.1802","0.075","","","0.1484","0.1912","","","","","","1.031","","","","has coordinates","193557","2020-10-21","18:00:00",""
"4032194","15.4759","0.0009","9.5223","0.0005","18.2158","0.0009","90","","110.754","0.002","90","","2510.2","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 N2 O4 S -","- C29 H30 N2 O4 S -","- C116 H120 N8 O16 S4 -","4","1","","Sayyad, Masthanvali; Wani, Imtiyaz Ahmad; Babu, Raja; Nanaji, Yerramsetti; Ghorai, Manas K.","A Synthetic Route to Chiral 1,4-Disubstituted Tetrahydro-β-Carbolines via Domino Ring-Opening Cyclization of Activated Aziridines with 2-Vinylindoles.","The Journal of organic chemistry","2017","82","5","2364","2374","10.1021/acs.joc.6b02719","","","0.71073","MoKα","","0.1394","0.0648","","","0.1226","0.148","","","","","","1.033","","","","has coordinates","193557","2020-10-21","18:00:00",""
"4032195","7.517","0.003","9.801","0.004","11.65","0.005","113.325","0.007","97.507","0.007","97.595","0.007","765.3","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 Cl N O3 -","- C18 H14 Cl N O3 -","- C36 H28 Cl2 N2 O6 -","2","1","","Wang, Wenhui; Han, Junwen; Sun, Jinwei; Liu, Yun","CuBr-Catalyzed Aerobic Decarboxylative Cycloaddition for the Synthesis of Indolizines under Solvent-Free Conditions.","The Journal of organic chemistry","2017","82","6","2835","2842","10.1021/acs.joc.6b02455","","","0.71073","MoKα","","0.0536","0.0414","","","0.1143","0.1223","","","","","","1.093","","","","has coordinates","194854","2020-10-21","18:00:00",""
"4032196","6.3339","0.0012","12.98","0.003","15.571","0.003","75.326","0.009","86.373","0.006","76.86","0.006","1206","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 Br2 O4 -","- C24 H28 Br2 O4 -","- C48 H56 Br4 O8 -","2","1","","Guchhait, Sandip; Chatterjee, Shamba; Ampapathi, Ravi Sankar; Goswami, Rajib Kumar","Total Synthesis of Reported Structure of Baulamycin A and Its Congeners.","The Journal of organic chemistry","2017","82","5","2414","2435","10.1021/acs.joc.6b02838","","","0.71073","MoKα","","0.1889","0.0584","","","0.118","0.1574","","","","","","0.974","","","","has coordinates","193559","2020-10-21","18:00:00",""
"4032197","11.1054","0.0003","13.0801","0.0004","14.4592","0.0004","90","","92.462","0.001","90","","2098.4","0.1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O5 -","- C25 H28 O5 -","- C100 H112 O20 -","4","2","","He, Yan; Hu, Zhengxi; Sun, Weiguang; Li, Qin; Li, Xiao-Nian; Zhu, Hucheng; Huang, Jinfeng; Liu, Junjun; Wang, Jianping; Xue, Yongbo; Zhang, Yonghui","Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.","The Journal of organic chemistry","2017","82","6","3125","3131","10.1021/acs.joc.7b00056","","","1.54178","CuKα","","0.0265","0.0265","","","0.0674","0.0675","","","","","","1.06","","","","has coordinates","194858","2020-10-21","18:00:00",""
"4032198","7.34","0.0015","15.44","0.003","16.48","0.003","114.57","0.03","97.75","0.03","94.55","0.03","1663.9","0.7","100","2","100","2","","","","","","","","3","P 1","P 1","1","","","","- C25.66667 H34.66667 O5.66667 -","- C25.6667 H34.6667 O5.66667 -","- C77 H104 O17 -","3","3","","He, Yan; Hu, Zhengxi; Sun, Weiguang; Li, Qin; Li, Xiao-Nian; Zhu, Hucheng; Huang, Jinfeng; Liu, Junjun; Wang, Jianping; Xue, Yongbo; Zhang, Yonghui","Spiroaspertrione A, a Bridged Spirocyclic Meroterpenoid, as a Potent Potentiator of Oxacillin against Methicillin-Resistant Staphylococcus aureus from Aspergillus sp. TJ23.","The Journal of organic chemistry","2017","82","6","3125","3131","10.1021/acs.joc.7b00056","","","1.54178","CuKα","","0.0672","0.0648","","","0.1746","0.1779","","","","","","1.047","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032199","9.1127","0.0007","11.0557","0.0009","12.2422","0.0009","115.584","0.002","100.509","0.002","94.304","0.002","1077.2","0.15","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H24 O4 -","- C27 H24 O4 -","- C54 H48 O8 -","2","1","","Novikov, Roman A.; Tarasova, Anna V.; Denisov, Dmitry A.; Borisov, Denis D.; Korolev, Victor A.; Timofeev, Vladimir P.; Tomilov, Yury V.","[4 + 2] Annulation of Donor-Acceptor Cyclopropanes with Acetylenes Using 1,2-Zwitterionic Reactivity.","The Journal of organic chemistry","2017","82","5","2724","2738","10.1021/acs.joc.7b00209","","","0.71073","MoKα","","0.0864","0.0589","","","0.1161","0.1318","","","","","","1.09","","","","has coordinates","193560","2020-10-21","18:00:00",""
"4032200","16.9808","0.0005","19.2205","0.0005","9.7931","0.0003","90","","99.3754","0.0017","90","","3153.57","0.16","93","","93","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N6 O8 S -","- C30 H36 N6 O8 S -","- C120 H144 N24 O32 S4 -","4","1","","Inoue, Naoya; Nakano, Shun-Ichi; Harada, Shingo; Hamada, Yasumasa; Nemoto, Tetsuhiro","Synthetic Study of Dragmacidin E: Construction of the Core Structure Using Pd-Catalyzed Cascade Cyclization and Rh-Catalyzed Aminoacetoxylation.","The Journal of organic chemistry","2017","82","5","2787","2793","10.1021/acs.joc.7b00083","","","1.54187","CuKα","","0.0982","0.0714","","","0.1451","0.1556","","","","","","0.99","","","","has coordinates","193563","2020-10-21","18:00:00",""
"4032201","6.2573","0.0008","14.6575","0.0016","18.162","0.002","90","","92.354","0.004","90","","1664.3","0.3","297","2","297","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","phenyl(1-phenylnaphtalen-2-yl)selane","phenyl(1-phenylnaphtalen-2-yl)selane","","- C22 H16 Se -","- C22 H16 Se -","- C88 H64 Se4 -","4","1","","Recchi, Ana M. S.; Back, Davi F.; Zeni, Gilson","Sequential Carbon-Carbon/Carbon-Selenium Bond Formation Mediated by Iron(III) Chloride and Diorganyl Diselenides: Synthesis and Reactivity of 2-Organoselenyl-Naphthalenes.","The Journal of organic chemistry","2017","82","5","2713","2723","10.1021/acs.joc.7b00050","","","0.71073","MoKα","","0.0621","0.0474","","","0.1262","0.1458","","","","","","1.096","","","","has coordinates","193564","2020-10-21","18:00:00",""
"4032202","9.8413","0.0018","10.0342","0.0018","13.628","0.003","93.941","0.002","107.147","0.002","108.694","0.002","1198.1","0.4","296","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C30 H21 Br F N O2 -","- C30 H21 Br F N O2 -","- C60 H42 Br2 F2 N2 O4 -","2","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.0979","0.0508","","","0.1269","0.1729","","","","","","1.043","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032203","6.927","0.006","11.029","0.01","14.424","0.013","83.271","0.012","82.416","0.011","72.366","0.011","1037.5","1.6","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 Br O3 -","- C24 H19 Br O3 -","- C48 H38 Br2 O6 -","2","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.1126","0.0475","","","0.1126","0.1442","","","","","","0.982","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032204","8.962","0.005","16.83","0.008","12.534","0.006","90","","93.461","0.007","90","","1887.1","1.7","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 N O2 -","- C24 H19 N O2 -","- C96 H76 N4 O8 -","4","1","","Yin, Deng; Liu, Hui; Lu, Chong-Dao; Xu, Yan-Jun","Dialkyl Phosphite-Initiated Cyclopropanation of α,β-Unsaturated Ketones Using α-Ketoesters or Isatin Derivatives.","The Journal of organic chemistry","2017","82","6","3252","3261","10.1021/acs.joc.6b03009","","","0.71073","MoKα","","0.1198","0.0634","","","0.1547","0.1944","","","","","","0.985","","","","has coordinates","194853","2020-10-21","18:00:00",""
"4032205","11.8124","0.0005","14.2482","0.0006","12.3794","0.0006","90","","102.181","0.002","90","","2036.61","0.16","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H22 N2 O2 S -","- C23 H22 N2 O2 S -","- C92 H88 N8 O8 S4 -","4","1","","Hu, Zhiyuan; Zhao, Ting; Wang, Manman; Wu, Jie; Yu, Wenquan; Chang, Junbiao","I2-Mediated Intramolecular C-H Amidation for the Synthesis of N-Substituted Benzimidazoles.","The Journal of organic chemistry","2017","82","6","3152","3158","10.1021/acs.joc.7b00142","","","0.71073","MoKα","","0.083","0.0592","","","0.1599","0.1822","","","","","","1.292","","","","has coordinates","194856","2020-10-21","18:00:00",""
"4032206","19.003","0.0011","23.7576","0.0013","10.0893","0.0006","90","","90","","90","","4555","0.5","173","2","173","2","","","","","","","","7","P n a 21","P 2c -2n","33","12246c","","","- C55 H45 Cl N O5 P2 Rh -","- C55 H45 Cl N O5 P2 Rh -","- C220 H180 Cl4 N4 O20 P8 Rh4 -","4","1","","Hoang, Giang T.; Walsh, Dylan J.; McGarry, Kathryn A.; Anderson, Constance B.; Douglas, Christopher J.","Development and Mechanistic Study of Quinoline-Directed Acyl C-O Bond Activation and Alkene Oxyacylation Reactions.","The Journal of organic chemistry","2017","82","6","2972","2983","10.1021/acs.joc.6b03011","","","0.71073","MoKα","","0.0391","0.0311","","","0.0627","0.0658","","","","","","1.034","","","","has coordinates","194859","2020-10-21","18:00:00",""
"4032207","13.2276","0.0004","13.4508","0.0003","13.5559","0.0004","90","","118.298","0.004","90","","2123.65","0.13","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C41 H37.5 B F10 N4.5 O2 Rh -","- C41 H37.5 B F10 N4.5 O2 Rh -","- C82 H75 B2 F20 N9 O4 Rh2 -","2","1","","Sun, Gui-Jun; Gong, Jun; Kang, Qiang","Chiral Rhodium(III) Complex-Catalyzed Cascade Michael-Alkylation Reactions: Enantioselective Synthesis of Cyclopropanes.","The Journal of organic chemistry","2017","82","1","796","803","10.1021/acs.joc.6b02583","","","1.54184","CuKα","","0.0351","0.0334","","","0.0876","0.0897","","","","","","1.058","","","","has coordinates,has disorder","193209","2020-10-21","18:00:00",""
"4032208","8.921","0.003","9.782","0.003","14.502","0.004","105.524","0.004","92.529","0.004","112.732","0.004","1109","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H21 N3 O2 -","- C28 H21 N3 O2 -","- C56 H42 N6 O4 -","2","1","","Das, Tuluma; Debnath, Sudipto; Maiti, Rituparna; Maiti, Dilip K.","Multifold C-C Coupling and Unorthodox Cyclization Catalysis for Selective Synthesis of Indolotriarylmethanes, Indolocarbazoles, and Their Analogues: A Control Experiment Study.","The Journal of organic chemistry","2017","82","1","688","700","10.1021/acs.joc.6b02689","","","0.71073","MoKα","","0.1052","0.0707","","","0.0961","0.1029","","","","","","2.094","","","","has coordinates","193210","2020-10-21","18:00:00",""
"4032209","21.8138","0.0007","7.3006","0.0002","21.2458","0.0008","90","","110.154","0.004","90","","3176.3","0.2","293","2","300","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","Organic Sample","","- C30 H25 O4 -","- C30.4 H28.8 O6.4 -","- C152 H144 O32 -","5","0.625","","Suchand, Basuli; Satyanarayana, Gedu","Palladium-Catalyzed Acylations: One-Pot Synthesis of Indenones.","The Journal of organic chemistry","2017","82","1","372","381","10.1021/acs.joc.6b02453","","","0.7107","MoKα","","0.0888","0.0588","","","0.1762","0.2076","","","","","","1.145","","","","has coordinates","193211","2020-10-21","18:00:00",""
"4032210","16.865","0.007","24.087","0.01","6.115","0.003","90","","90","","90","","2484.1","1.9","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C25 H27 N2 O5 S2 -","- C25 H27 N2 O5 S2 -","- C100 H108 N8 O20 S8 -","4","1","","Zhao, Senzhi; Andrade, Rodrigo B.","Development and Scope of the Arene-Fused Domino Michael/Mannich Reaction: Application to the Total Syntheses of Aspidosperma Alkaloids (-)-Aspidospermidine, (-)-Tabersonine, and (-)-Vincadifformine.","The Journal of organic chemistry","2017","82","1","521","531","10.1021/acs.joc.6b02551","","","0.71073","MoKα","","0.0742","0.045","","","0.1004","0.116","","","","","","1.059","","","","has coordinates","193212","2020-10-21","18:00:00",""
"4032211","9.7434","0.0005","3.9162","0.0002","26.2218","0.0012","90","","95.4561","0.0015","90","","996.01","0.09","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N3 S -","- C11 H7 N3 S -","- C44 H28 N12 S4 -","4","1","","Arisawa, Mieko; Tazawa, Takeru; Tanii, Saori; Horiuchi, Kiyofumi; Yamaguchi, Masahiko","Rhodium-Catalyzed Synthesis of Unsymmetric Di(heteroaryl) Sulfides Using Heteroaryl Ethers and S-Heteroaryl Thioesters via Heteroarylthio Exchange.","The Journal of organic chemistry","2017","82","1","804","810","10.1021/acs.joc.6b02585","","","0.71075","MoKα","","0.0746","0.065","","","0.1505","0.1666","","","","","","1.178","","","","has coordinates","193213","2020-10-21","18:00:00",""
"4032212","14.1851","0.0005","9.0849","0.0005","8.6746","0.0007","90","","90","","90","","1117.9","0.12","173","2","173","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C11 H6 Cl N O S2 -","- C11 H6 Cl N O S2 -","- C44 H24 Cl4 N4 O4 S8 -","4","1","","Arisawa, Mieko; Tazawa, Takeru; Tanii, Saori; Horiuchi, Kiyofumi; Yamaguchi, Masahiko","Rhodium-Catalyzed Synthesis of Unsymmetric Di(heteroaryl) Sulfides Using Heteroaryl Ethers and S-Heteroaryl Thioesters via Heteroarylthio Exchange.","The Journal of organic chemistry","2017","82","1","804","810","10.1021/acs.joc.6b02585","","","0.71075","MoKα","","0.1035","0.0586","","","0.1371","0.1993","","","","","","1.135","","","","has coordinates","193214","2020-10-21","18:00:00",""
"4032213","10.4251","0.0002","12.3394","0.0003","14.8471","0.0003","81.0026","0.001","79.8305","0.0012","72.2883","0.0011","1780.04","0.07","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H51 Fe N7 -","- C37 H51 Fe N7 -","- C74 H102 Fe2 N14 -","2","1","","Spahn, Nathan A.; Nguyen, Minh H.; Renner, Jonas; Lane, Timothy K.; Louie, Janis","Regioselective Iron-Catalyzed [2 + 2 + 2] Cycloaddition Reaction Forming 4,6-Disubstituted 2-Aminopyridines from Terminal Alkynes and Cyanamides.","The Journal of organic chemistry","2017","82","1","234","242","10.1021/acs.joc.6b02374","","","0.71073","MoKα","","0.0586","0.0407","","","0.0973","0.1067","","","","","","1.029","","","","has coordinates","193215","2020-10-21","18:00:00",""
"4032214","6.0519","0.0003","7.661","0.0004","11.9361","0.0006","88.489","0.004","87.47","0.004","86.454","0.004","551.65","0.05","120","2","120","2","","","","","","","","5","P 1","P 1","1","","","","- C20 H21 N5 O8 S -","- C20 H21 N5 O8 S -","- C20 H21 N5 O8 S -","1","1","","Ručil, Tomáš; Trávníček, Zdeněk; Cankař, Petr","Ring-Opening Reactions of the N-4-Nosyl Hough-Richardson Aziridine with Nitrogen Nucleophiles.","The Journal of organic chemistry","2017","82","1","723","730","10.1021/acs.joc.6b01942","","","0.71073","MoKα","","0.0571","0.0462","","","0.0996","0.1047","","","","","","1.053","","","","has coordinates","193216","2020-10-21","18:00:00",""
"4032215","7.2594","0.0003","10.1015","0.0004","26.4392","0.0012","90","","90","","90","","1938.81","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O5 S -","- C20 H21 N O5 S -","- C80 H84 N4 O20 S4 -","4","1","","Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo","Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.","The Journal of organic chemistry","2017","82","1","397","406","10.1021/acs.joc.6b02489","","","0.71073","MoKα","","0.055","0.0486","","","0.121","0.1264","","","","","","1.06","","","","has coordinates","193217","2020-10-21","18:00:00",""
"4032216","11.1118","0.0009","21.422","0.0018","10.2188","0.0009","90","","90","","90","","2432.5","0.4","296","2","296","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C23 H29 N O6 S Si -","- C23 H29 N O6 S Si -","- C92 H116 N4 O24 S4 Si4 -","4","1","","Li, Xiang; Huang, Wei; Liu, Yan-Qing; Kang, Jing-Wen; Xia, Dan; He, Gu; Peng, Cheng; Han, Bo","Control of Activation Mode To Achieve Diastereodivergence in Asymmetric Syntheses of Chiral Spiropiperidinone Derivatives.","The Journal of organic chemistry","2017","82","1","397","406","10.1021/acs.joc.6b02489","","","0.71073","MoKα","","0.0744","0.0445","","","0.0704","0.0788","","","","","","1.022","","","","has coordinates","193218","2020-10-21","18:00:00",""
"4032217","8.0753","0.0009","24.06","0.003","9.5701","0.001","90","","96.738","0.005","90","","1846.5","0.4","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H15 Br O5 -","- C21 H15 Br O5 -","- C84 H60 Br4 O20 -","4","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.1365","0.0623","","","0.1501","0.2097","","","","","","1.105","","","","has coordinates,has disorder","193219","2020-10-21","18:00:00",""
"4032218","8.716","0.0008","9.5661","0.0006","27.714","0.002","90","","93.51","0.004","90","","2306.4","0.3","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 Br N O6 -","- C25 H22 Br N O6 -","- C100 H88 Br4 N4 O24 -","4","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.1354","0.0596","","","0.1389","0.2125","","","","","","1.034","","","","has coordinates,has disorder","193220","2020-10-21","18:00:00",""
"4032219","35.968","0.006","13.63","0.003","10.231","0.002","90","","93.174","0.01","90","","5008","1.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H24 Br N O5 -","- C24 H24 Br N O5 -","- C192 H192 Br8 N8 O40 -","8","1","","Yang, Shu-Mei; Madhusudhan Reddy, Ganapuram; Liu, Meng-Hsien; Wang, Tzu-Ping; Yu, Jhen-Kuei; Lin, Wenwei","Diastereoselective Synthesis of Rauhut-Currier-Type Adducts via an Unexpected α-Addition of α,β-Unsaturated γ-Butyrolactams to Coumarin Derivatives.","The Journal of organic chemistry","2017","82","1","781","789","10.1021/acs.joc.6b02526","","","0.71073","MoKα","","0.099","0.047","","","0.1006","0.1147","","","","","","0.921","","","","has coordinates","193221","2020-10-21","18:00:00",""
"4032220","7.813","0.0001","11.5034","0.0002","14.4925","0.0002","90","","90","","90","","1302.53","0.03","200","","200","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 I O4 -","- C11 H17 I O4 -","- C44 H68 I4 O16 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0221","0.021","","0.0511","0.0504","0.0511","","","","","","1.0039","","","","has coordinates","193222","2020-10-21","18:00:00",""
"4032221","16.8154","0.0008","4.5652","0.0002","15.701","0.0008","90","","120.592","0.0019","90","","1037.53","0.09","200","","200","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C7 H13 I O5 -","- C7 H13 I O5 -","- C28 H52 I4 O20 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","0.71073","MoKα","","0.0339","0.0306","","0.0734","0.0708","0.0734","","","","","","0.9928","","","","has coordinates","193223","2020-10-21","18:00:00",""
"4032222","17.5832","0.0015","4.7115","0.0001","13.4131","0.0008","90","","111.36","0.012","90","","1034.86","0.14","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C7 H13 I O5 -","- C7 H13 I O5 -","- C28 H52 I4 O20 -","4","1","","Taher, Ehab S.; Guest, Prue; Benton, Amanda; Ma, Xinghua; Banwell, Martin G.; Willis, Anthony C.; Seiser, Tobias; Newton, Trevor W.; Hutzler, Johannes","The Synthesis of Certain Phomentrioloxin A Analogues and Their Evaluation as Herbicidal Agents.","The Journal of organic chemistry","2017","82","1","211","233","10.1021/acs.joc.6b02372","","","1.5418","CuKα","","0.0222","0.0217","","0.0594","0.0587","0.0594","","","","","","1.0009","","","","has coordinates","193224","2020-10-21","18:00:00",""
"4032223","7.445","0.004","12.465","0.005","16.095","0.006","90","","90","","90","","1493.6","1.1","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H16 N2 O3 -","- C17 H16 N2 O3 -","- C68 H64 N8 O12 -","4","1","","Majewski, Mark W.; Miller, Patricia A.; Oliver, Allen G.; Miller, Marvin J.","Alternate ""Drug"" Delivery Utilizing β-Lactam Cores: Syntheses and Biological Evaluation of β-Lactams Bearing Isocyanate Precursors.","The Journal of organic chemistry","2017","82","1","737","744","10.1021/acs.joc.6b02272","","","1.54184","CuKα","","0.041","0.0401","","","0.1058","0.107","","","","","","1.034","","","","has coordinates","193225","2020-10-21","18:00:00",""
"4032224","6.153","0.002","28.21","0.009","9.988","0.003","90","","90.59","0.007","90","","1733.6","0.9","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N O3 S -","- C18 H25 N O3 S -","- C72 H100 N4 O12 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1082","0.1011","","","0.2978","0.3034","","","","","","1.112","","","","has coordinates","193226","2020-10-21","18:00:00",""
"4032225","36.221","0.007","6.0462","0.0011","20.697","0.004","90","","120.45","0.002","90","","3907.5","1.3","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C176 H184 N8 O32 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0405","0.0343","","","0.0936","0.0988","","","","","","1.073","","","","has coordinates","193227","2020-10-21","18:00:00",""
"4032226","18.318","0.006","5.547","0.002","20.496","0.007","90","","109.811","0.006","90","","1959.3","1.2","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C92 H100 N4 O12 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0955","0.05","","","0.1086","0.1266","","","","","","1.015","","","","has coordinates","193228","2020-10-21","18:00:00",""
"4032227","10.2479","0.0006","9.0512","0.0004","19.2696","0.0012","90","","94.084","0.004","90","","1782.83","0.17","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 N O2 S2 -","- C20 H21 N O2 S2 -","- C80 H84 N4 O8 S8 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1368","0.0853","","","0.2079","0.2312","","","","","","1.138","","","","has coordinates","193229","2020-10-21","18:00:00",""
"4032228","12.3783","0.0009","17.2914","0.0013","18.284","0.0014","90","","90","","90","","3913.5","0.5","200","2","200","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C184 H200 N8 O16 S8 -","8","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0947","0.0445","","","0.1062","0.1311","","","","","","1.009","","","","has coordinates","193230","2020-10-21","18:00:00",""
"4032229","8.0991","0.0003","11.0021","0.0004","12.0817","0.0004","95.876","0.002","96.881","0.002","97.458","0.002","1052.14","0.07","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H25 N O4 S -","- C24 H25 N O4 S -","- C48 H50 N2 O8 S2 -","2","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.0974","0.0656","","","0.1692","0.19","","","","","","1.065","","","","has coordinates,has disorder","193231","2020-10-21","18:00:00",""
"4032230","10.759","0.0012","14.439","0.0015","15.4335","0.0015","86.843","0.003","89.521","0.003","80.881","0.003","2363.7","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H27 N O4 S -","- C28 H27 N O4 S -","- C112 H108 N4 O16 S4 -","4","2","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.1199","0.0594","","","0.1131","0.1454","","","","","","0.99","","","","has coordinates","193232","2020-10-21","18:00:00",""
"4032231","6.0902","0.0006","14.6898","0.0015","23.027","0.003","90","","91.588","0.007","90","","2059.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O5 S -","- C23 H25 N O5 S -","- C92 H100 N4 O20 S4 -","4","1","","Zhong, Chang-Zhi; Tung, Po-Ting; Chao, Tsung-Han; Yeh, Ming-Chang P","Gold-Catalyzed Stereoselective Synthesis of Bicyclic Lactams and Ketones from N-Tosylynamidomethyl-Tethered Cyclohexenes.","The Journal of organic chemistry","2017","82","1","481","501","10.1021/acs.joc.6b02479","","","0.71073","MoKα","","0.155","0.0558","","","0.1041","0.1376","","","","","","0.998","","","","has coordinates","193233","2020-10-21","18:00:00",""
"4032232","12.0743","0.0016","13.2209","0.0018","17.073","0.002","71.182","0.003","73.445","0.003","83.504","0.003","2472.1","0.6","100","","100","","","","","","","","","6","P -1","-P 1","2","Expanded Porphyrin","Heterocyclic Macrocycle","","- C118 H114 F28 N4 O12 S4 -","- C118 H62 F28 N4 O12 S4 -","- C118 H62 F28 N4 O12 S4 -","1","0.5","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.1292","0.0737","","","0.1876","0.2249","","","","","","1.038","","","","has coordinates,has disorder","193234","2020-10-21","18:00:00",""
"4032233","12.123","0.006","18.835","0.01","19.026","0.01","113.593","0.005","100.841","0.006","90.554","0.006","3893","3","100","","100","","","","","","","","","6","P -1","-P 1","2","Expanded phorphyrin","Fused Heterocyclic macrocycle","","- C88 H58 F10 N4 O3 S4 -","- C88 H58 F10 N4 O3 S4 -","- C176 H116 F20 N8 O6 S8 -","2","1","","Mallick, Abhijit; Oh, Juwon; Majewski, Marcin A.; Stępień, Marcin; Kim, Dongho; Rath, Harapriya","Protonation Dependent Topological Dichotomy of Core Modified Hexaphyrins: Synthesis, Characterization, and Excited State Dynamics.","The Journal of organic chemistry","2017","82","1","556","566","10.1021/acs.joc.6b02576","","","0.71073","MoKα","","0.0947","0.0677","","","0.1828","0.2107","","","","","","1.023","","","","has coordinates,has disorder","193235","2020-10-21","18:00:00",""
"4032234","35.044","0.002","8.284","0.0006","12.6899","0.0007","90","","98.376","0.005","90","","3644.6","0.4","292.81","0.1","292.81","0.1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H23 N O3 S -","- C20 H23 N O3 S -","- C160 H184 N8 O24 S8 -","8","1","","Chen, Jian-Qiang; Yu, Wan-Lei; Wei, Yun-Long; Li, Teng-Hui; Xu, Peng-Fei","Photoredox-Induced Functionalization of Alkenes for the Synthesis of Substituted Imidazolines and Oxazolidines.","The Journal of organic chemistry","2017","82","1","243","249","10.1021/acs.joc.6b02377","","","0.71073","MoKα","","0.0885","0.0524","","","0.1134","0.1384","","","","","","1.039","","","","has coordinates","193236","2020-10-21","18:00:00",""
"4032235","14.384","0.005","10.019","0.005","15.264","0.005","90","0.005","102.399","0.005","90","0.005","2148.4","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H24 F N O -","- C25 H24 F N O -","- C100 H96 F4 N4 O4 -","4","1","","Bera, Sourav Sekhar; Debbarma, Suvankar; Ghosh, Avick Kumar; Chand, Santanu; Maji, Modhu Sudan","Cp*Co(III)-Catalyzed syn-Selective C-H Hydroarylation of Alkynes Using Benzamides: An Approach Toward Highly Conjugated Organic Frameworks.","The Journal of organic chemistry","2017","82","1","420","430","10.1021/acs.joc.6b02516","","","0.71069","MoKα","","0.18","0.0624","","","0.1425","0.19","","","","","","0.801","","","","has coordinates","193237","2020-10-21","18:00:00",""
"4032236","17.566","0.005","16.38","0.005","22.132","0.005","90","0.005","90","0.005","90","0.005","6368","3","293","2","293","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C39 H35 N O -","- C39 H35 N O -","- C312 H280 N8 O8 -","8","1","","Bera, Sourav Sekhar; Debbarma, Suvankar; Ghosh, Avick Kumar; Chand, Santanu; Maji, Modhu Sudan","Cp*Co(III)-Catalyzed syn-Selective C-H Hydroarylation of Alkynes Using Benzamides: An Approach Toward Highly Conjugated Organic Frameworks.","The Journal of organic chemistry","2017","82","1","420","430","10.1021/acs.joc.6b02516","","","0.71069","MoKα","","0.1249","0.064","","","0.1648","0.2075","","","","","","0.944","","","","has coordinates","193237","2020-10-21","18:00:00",""
"4032237","7.8315","0.001","17.644","0.002","13.1719","0.0019","90","","96.333","0.011","90","","1809","0.4","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O5 -","- C16 H18 Cl N3 O5 -","- C64 H72 Cl4 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.71073","MoKα","","0.1101","0.0396","","","0.0757","0.0829","","","","","","1","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032238","8.0289","0.0003","10.1511","0.0005","22.4007","0.0012","82.712","0.004","86.457","0.004","86.322","0.004","1804.57","0.15","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 N4 O5 -","- C17 H18 N4 O5 -","- C68 H72 N16 O20 -","4","2","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.7107","MoKα","","0.1047","0.0592","","","0.1644","0.2027","","","","","","1.007","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032239","10.4037","0.0006","8.6319","0.0004","19.9954","0.0014","90","","92.563","0.006","90","","1793.86","0.18","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Cl N3 O5 -","- C16 H18 Cl N3 O5 -","- C64 H72 Cl4 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.7107","MoKα","","0.1459","0.0585","","","0.1226","0.1605","","","","","","1.004","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032240","7.8569","0.0005","18.165","0.002","14.8317","0.0017","90","","98.142","0.008","90","","2095.5","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N3 O5 -","- C22 H23 N3 O5 -","- C88 H92 N12 O20 -","4","1","","Eliseeva, Alexandra I.; Nesterenko, Olga O.; Slepukhin, Pavel A.; Benassi, Enrico; Belskaya, Nataliya P.","Synthesis and Fluorescent Behaviour of 2-Aryl-4,5-dihydro-1H-1,2,4-triazoles.","The Journal of organic chemistry","2017","82","1","86","100","10.1021/acs.joc.6b02144","","","0.71073","MoKα","","0.0972","0.0386","","","0.077","0.0817","","","","","","1.009","","","","has coordinates","193238","2020-10-21","18:00:00",""
"4032241","13.6688","0.0004","21.5451","0.0007","16.0285","0.0003","90","","90.831","0.002","90","","4719.8","0.2","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-benzyl-2,3-diphenyl-7H-imidazo[2,1-a]pyrrolo[3,2-c]isoquinoline","","- C32 H24 N3 O0.5 -","- C32 H24 N3 O0.5 -","- C256 H192 N24 O4 -","8","2","","Tomashenko, Olesya A.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","NHC as the Guiding Factor in a Copper-Catalyzed Intramolecular C Arylation of Pyrrolylimidazolium Salts: Synthesis of Luminescent Heterotetracyclic Frameworks.","The Journal of organic chemistry","2017","82","1","616","623","10.1021/acs.joc.6b02627","","","1.54184","CuKα","","0.0519","0.0437","","","0.1069","0.1129","","","","","","1.02","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032242","11.9329","0.0019","6.4776","0.0008","14.471","0.004","90","","107.99","0.02","90","","1063.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 O2 -","- C13 H15 O2 -","- C52 H60 O8 -","4","1","","D'yakonov, Vladimir A.; Kadikova, Gulnara N.; Dzhemileva, Lilya U.; Gazizullina, Guzel F.; Ramazanov, Ilfir R.; Dzhemilev, Usein M.","Cobalt-Catalyzed [6 + 2] Cycloaddition of Alkynes with 1,3,5,7-Cyclooctatetraene as a Key Element in the Direct Construction of Substituted Bicyclo[4.3.1]decanes.","The Journal of organic chemistry","2017","82","1","471","480","10.1021/acs.joc.6b02540","","","0.7107","MoKα","","0.1183","0.08","","","0.2033","0.2494","","","","","","1.246","","","","has coordinates","193240","2020-10-21","18:00:00",""
"4032243","8.1146","0.0011","19.14","0.003","11.5187","0.0016","90","","110.431","0.003","90","","1676.5","0.4","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","(S)-N-(2-(5-bromo-2-methyl-1H-indol-3-yl)-1-phenylethyl)acetamide","","- C19 H19 Br N2 O -","- C19 H19 Br N2 O -","- C76 H76 Br4 N8 O4 -","4","2","","Salikov, Rinat F.; Trainov, Konstantin P.; Levina, Anastasia A.; Belousova, Irina K.; Medvedev, Michael G.; Tomilov, Yury V.","Synthesis of Branched Tryptamines via the Domino Cloke-Stevens/Grandberg Rearrangement.","The Journal of organic chemistry","2017","82","1","790","795","10.1021/acs.joc.6b02578","","","0.71073","MoKα","","0.0567","0.0382","","","0.0718","0.0772","","","","","","0.898","","","","has coordinates","193241","2020-10-21","18:00:00",""
"4032244","11.2358","0.0006","11.5376","0.0006","12.5681","0.0009","85.28","0.005","89.607","0.005","87.723","0.004","1622.44","0.17","294.44","0.1","294.44","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H46 O7 -","- C38 H46 O7 -","- C76 H92 O14 -","2","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","0.71073","MoKα","","0.109","0.0792","","","0.2094","0.2369","","","","","","1.043","","","","has coordinates","193242","2020-10-21","18:00:00",""
"4032245","12.7954","0.0006","10.4","0.0006","16.4115","0.0008","90","","105.687","0.006","90","","2102.6","0.2","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 O4 -","- C25 H26 O4 -","- C100 H104 O16 -","4","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","0.71073","MoKα","","0.1192","0.0614","","","0.1113","0.1505","","","","","","1.068","","","","has coordinates","193243","2020-10-21","18:00:00",""
"4032246","12.8918","0.0005","11.5509","0.0005","12.5129","0.0005","90","","100.235","0.004","90","","1833.67","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Zhang, Yu-Fei; Cao, Xiao-Ping; Chow, Hak-Fun; Kuck, Dietmar","Tribenzotriquinacene-Based Crown Ethers: Synthesis and Selective Complexation with Ammonium Salts.","The Journal of organic chemistry","2017","82","1","179","187","10.1021/acs.joc.6b02326","","","1.54184","CuKα","","0.0488","0.0471","","","0.1226","0.1244","","","","","","1.046","","","","has coordinates","193244","2020-10-21","18:00:00",""
"4032247","12.843","0.012","11.009","0.01","18.175","0.017","90","","103.298","0.012","90","","2501","4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N5 O3 -","- C29 H21 N5 O3 -","- C116 H84 N20 O12 -","4","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.1038","0.0611","","","0.1786","0.2123","","","","","","1.005","","","","has coordinates","193245","2020-10-21","18:00:00",""
"4032248","13.565","0.011","11.634","0.009","14.456","0.011","90","","93.247","0.012","90","","2278","3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N5 O S -","- C27 H19 N5 O S -","- C108 H76 N20 O4 S4 -","4","1","","Mukherjee, Prasun; Das, Asish R.","Spirocyclopropanes from Intramolecular Cyclopropanation of Pyranopyrazoles and Pyranopyrimidine-diones and Lewis Acid Mediated (3 + 2) Cycloadditions of Spirocyclopropylpyrazolones.","The Journal of organic chemistry","2017","82","5","2794","2802","10.1021/acs.joc.7b00089","","","0.71073","MoKα","","0.1012","0.0461","","","0.0998","0.12","","","","","","1.026","","","","has coordinates","193246","2020-10-21","18:00:00",""
"4032249","20.8628","0.0009","21.7014","0.0013","22.9812","0.001","90","","116.1","0.002","90","","9343.8","0.8","113","","113","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C198 H211 N24 O21.5 S9 -","- C198 H210 N24 O21.5 S9 -","- C396 H420 N48 O43 S18 -","2","1","","Wang, Zhenzhen; Nour, Hany F.; Roch, Loïc M; Guo, Minjie; Li, Wenjiao; Baldridge, Kim K.; Sue, Andrew C. H.; Olson, Mark A.","[3+3] Cyclocondensation of Disubstituted Biphenyl Dialdehydes: Access to Inherently Luminescent and Optically Active Hexa-substituted C3-Symmetric and Asymmetric Trianglimine Macrocycles.","The Journal of organic chemistry","2017","82","5","2472","2480","10.1021/acs.joc.6b02868","","","0.71073","MoKα","","0.0424","0.0391","","","0.1013","0.1036","","","","","","1.037","","","","has coordinates,has disorder","193247","2020-10-21","18:00:00",""
"4032250","12.3866","0.00018","27.0237","0.0004","16.157","0.0003","90","","103.096","0.0015","90","","5267.6","0.15","","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C49 H72 Cl N O11 P -","- C49 Cl N1.5 O10.5 P -","- C196 Cl4 N6 O42 P4 -","4","2","","Liu, Shuang; Li, Yuming; Yin, Zhiyu; Yu, Qiuli; Miao, Zhiwei","Diastereoselective Synthesis of Adjacent P,C-Stereogenic β-N-Glycosidic Linked α-Aminophosphinates.","The Journal of organic chemistry","2017","82","5","2481","2488","10.1021/acs.joc.6b02877","","x-ray","0.71073","MoKα","","0.074","0.0694","","","0.2041","0.208","","","","","","1.622","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032251","12.6934","0.0011","18.5229","0.0016","14.3034","0.0012","90","","112.18","0.0012","90","","3114.1","0.5","100","2","100.62","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H46 B N O2 -","- C35 H46 B N O2 -","- C140 H184 B4 N4 O8 -","4","1","","Ibarra-Rodrı Guez, Marisol; Muñoz-Flores, Blanca M; Dias, H. V. Rasika; Sánchez, Mario; Gomez-Treviño, Alberto; Santillan, Rosa; Farfán, Norberto; Jiménez-Pérez, Víctor M","Fluorescent Molecular Rotors of Organoboron Compounds from Schiff Bases: Synthesis, Viscosity, Reversible Thermochromism, Cytotoxicity, and Bioimaging Cells.","The Journal of organic chemistry","2017","82","5","2375","2385","10.1021/acs.joc.6b02802","","","0.71073","MoKα","","0.0596","0.0529","","","0.1298","0.1355","","","","","","1.033","","","","has coordinates,has disorder","193249","2020-10-21","18:00:00",""
"4032252","18.851","0.006","17.727","0.006","18.924","0.006","90","","96.903","0.005","90","","6278","4","101","2","101.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C67 H92 B2 N2 O5 -","- C67 H92 B2 N2 O5 -","- C268 H368 B8 N8 O20 -","4","1","","Ibarra-Rodrı Guez, Marisol; Muñoz-Flores, Blanca M; Dias, H. V. Rasika; Sánchez, Mario; Gomez-Treviño, Alberto; Santillan, Rosa; Farfán, Norberto; Jiménez-Pérez, Víctor M","Fluorescent Molecular Rotors of Organoboron Compounds from Schiff Bases: Synthesis, Viscosity, Reversible Thermochromism, Cytotoxicity, and Bioimaging Cells.","The Journal of organic chemistry","2017","82","5","2375","2385","10.1021/acs.joc.6b02802","","","0.71073","MoKα","","0.1061","0.0719","","","0.1758","0.1971","","","","","","1.014","","","","has coordinates,has disorder","193249","2020-10-21","18:00:00",""
"4032253","6.75819","0.00013","8.55021","0.00016","24.5163","0.0005","90","","97.7995","0.0019","90","","1403.54","0.05","293","","293","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O -","- C19 H16 O -","- C76 H64 O4 -","4","1","","Huang, Jin; Wang, Wei; He, Hai-Yu; Jian, Lei; Fu, Hai-Yan; Zheng, Xue-Li; Chen, Hua; Li, Rui-Xiang","An Approach to the Synthesis of 1-Propenylnaphthols and 3-Arylnaphtho[2,1-b]furans.","The Journal of organic chemistry","2017","82","5","2523","2534","10.1021/acs.joc.6b02902","","x-ray","1.54184","CuKα","","0.0552","0.0514","","","0.1391","0.1445","","","","","","1.0658","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032254","8.95","0.001","9.477","0.001","32.179","0.002","83.849","0.002","87.952","0.002","64.773","0.001","2454.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H8 F9 N3 O -","- C15 H8 F9 N3 O -","- C90 H48 F54 N18 O6 -","6","3","","Yang, Kai; Dang, Qun; Cai, Pei-Jun; Gao, Yang; Yu, Zhi-Xiang; Bai, Xu","Reaction of Aldehydes/Ketones with Electron-Deficient 1,3,5-Triazines Leading to Functionalized Pyrimidines as Diels-Alder/Retro-Diels-Alder Reaction Products: Reaction Development and Mechanistic Studies.","The Journal of organic chemistry","2017","82","5","2336","2344","10.1021/acs.joc.6b02570","","","0.71073","MoKα","","0.1039","0.0686","","","0.1757","0.2111","","","","","","1.175","","","","has coordinates,has disorder","193251","2020-10-21","18:00:00",""
"4032255","15.5375","0.001","6.0426","0.0004","23.7983","0.0016","90","","93.08","0.003","90","","2231.1","0.3","90","0.5","90","0.5","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H17 B Cl2 F2 N2 -","- C27 H17 B Cl2 F2 N2 -","- C108 H68 B4 Cl8 F8 N8 -","4","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0626","0.0408","","","0.0985","0.1091","","","","","","1.034","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032256","27.801","0.003","8.5828","0.0011","25.471","0.004","90","","105.021","0.01","90","","5870","1.4","90","0.5","90","0.5","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C39 H27 B F2 N2 -","- C39 H27 B F2 N2 -","- C312 H216 B8 F16 N16 -","8","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.1578","0.0767","","","0.1759","0.218","","","","","","0.981","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032257","13.7912","0.0004","10.6546","0.0004","15.2354","0.0006","90","","99.863","0.002","90","","2205.6","0.14","90","0.5","90","0.5","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C23 H13 B Cl4 F2 N2 O2 -","- C23 H13 B Cl4 F2 N2 O2 -","- C92 H52 B4 Cl16 F8 N8 O8 -","4","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0614","0.0453","","","0.1209","0.1303","","","","","","1.041","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032258","13.0943","0.0015","13.8006","0.0016","17.659","0.002","83.546","0.007","83.396","0.007","80.198","0.007","3109.6","0.6","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C37 H27 B Cl2 F2 N2 O4 -","- C37 H27 B Cl2 F2 N2 O4 -","- C148 H108 B4 Cl8 F8 N8 O16 -","4","2","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.1765","0.0926","","","0.2124","0.2638","","","","","","0.95","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032259","6.4378","0.0003","13.1056","0.0007","15.3828","0.0008","84.902","0.002","79.56","0.002","84.62","0.002","1267.33","0.11","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C30 H20 B Cl2 F2 N3 O2 -","- C30 H20 B Cl2 F2 N3 O2 -","- C60 H40 B2 Cl4 F4 N6 O4 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","0.71073","MoKα","","0.0524","0.0377","","","0.0853","0.0921","","","","","","1.023","","","","has coordinates","193252","2020-10-21","18:00:00",""
"4032260","9.8322","0.0008","13.3203","0.0011","15.0587","0.0012","72.208","0.006","74.473","0.006","81.456","0.006","1804.5","0.3","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C38 H26 B F2 N3 O2 S2 -","- C38 H26 B F2 N3 O2 S2 -","- C76 H52 B2 F4 N6 O4 S4 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","1.54184","CuKα","","0.1056","0.0616","","","0.153","0.17","","","","","","1.009","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032261","10.3829","0.0009","14.3659","0.0014","15.0975","0.0014","75.674","0.007","89.346","0.007","78.359","0.007","2135.3","0.4","90","0.5","90","0.5","","","","","","","","7","P -1","-P 1","2","","","","- C45 H32 B Cl3 F2 N4 O3 -","- C45 H32 B Cl3 F2 N4 O3 -","- C90 H64 B2 Cl6 F4 N8 O6 -","2","1","","Xuan, Sunting; Zhao, Ning; Ke, Xiangyi; Zhou, Zehua; Fronczek, Frank R.; Kadish, Karl M.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic Investigation of a Series of Push-Pull Boron Dipyrromethenes (BODIPYs).","The Journal of organic chemistry","2017","82","5","2545","2557","10.1021/acs.joc.6b02941","","","1.54184","CuKα","","0.1289","0.1046","","","0.3218","0.3413","","","","","","1.28","","","","has coordinates,has disorder","193252","2020-10-21","18:00:00",""
"4032262","9.5297","0.0018","13.296","0.003","15.643","0.003","90","","90","","90","","1982.1","0.7","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O7 S -","- C20 H20 N2 O7 S -","- C80 H80 N8 O28 S4 -","4","1","","Bezanson, Michelle; Tomberg, Anna; Moitessier, Nicolas","Fluoride-Mediated Desulfonylative Intramolecular Cyclization to Fused and Bridged Bicyclic Compounds: A Complex Mechanism.","The Journal of organic chemistry","2017","82","5","2579","2588","10.1021/acs.joc.6b02999","","","0.71073","MoKα","","0.0449","0.0344","","","0.075","0.0812","","","","","","1.049","","","","has coordinates","193253","2020-10-21","18:00:00",""
"4032263","7.5338","0.0002","15.4969","0.0004","17.657","0.0005","90","","90","","90","","2061.46","0.1","90","2","90","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N3 O3 -","- C21 H31 N3 O3 -","- C84 H124 N12 O12 -","4","1","","Tong, Thu Minh Thi; Soeta, Takahiro; Suga, Takuya; Kawamoto, Keisuke; Hayashi, Yoshihito; Ukaji, Yutaka","Formal Total Synthesis of Manzacidin C Based on Asymmetric 1,3-Dipolar Cycloaddition of Azomethine Imines.","The Journal of organic chemistry","2017","82","4","1969","1976","10.1021/acs.joc.6b02816","","","1.54178","CuKα","","0.0301","0.0301","","","0.0778","0.0778","","","","","","1.103","","","","has coordinates","193254","2020-10-21","18:00:00",""
"4032264","13.1263","0.0009","18.8252","0.0013","13.4559","0.001","90","","112.916","0.009","90","","3062.6","0.4","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 N2 -","- C21 H14 N2 -","- C168 H112 N16 -","8","2","","Ali, Wajid; Dahiya, Anjali; Pandey, Ramdhari; Alam, Tipu; Patel, Bhisma K.","Microwave-Assisted Cascade Strategy for the Synthesis of Indolo[2,3-b]quinolines from 2-(Phenylethynyl)anilines and Aryl Isothiocynates.","The Journal of organic chemistry","2017","82","4","2089","2096","10.1021/acs.joc.6b02912","","","0.71073","MoKα","","0.1307","0.0811","","","0.1604","0.19","","","","","","1.089","","","","has coordinates","193255","2020-10-21","18:00:00",""
"4032265","27.6286","0.0014","14.36","0.0006","19.9963","0.0009","90","","109.596","0.008","90","","7474","0.7","200","","200","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(NEt4)[SC6H3{NHCOC(C6H4-t-Bu)3}2]-1.75CH3CN","","- C81.5 H108.25 N4.75 O2 S -","- C81.492 H108.238 N4.746 O2 S -","- C325.968 H432.952 N18.984 O8 S4 -","4","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.1665","0.0808","","","0.1729","0.2085","","","","","","1.017","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032266","16.4123","0.0005","21.6199","0.0007","28.373","0.002","111.727","0.008","92.205","0.007","100.836","0.007","9121","1","200","","200","","","","","","","","","6","P -1","-P 1","2","","(NEt4)[L1I2]-L1I-8toluene","","- C204 H250 I3 N5 O4 S2 -","- C204 H250 I3 N5 O4 S2 -","- C408 H500 I6 N10 O8 S4 -","2","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.1274","0.0746","","","0.1668","0.1949","","","","","","1.024","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032267","14.3441","0.0004","40.3816","0.0009","11.4691","0.0003","90","","90","","90","","6643.3","0.3","200","","200","","","","","","","","","6","P n m a","-P 2ac 2n","62","","{(t-BuC6H4)3CCONH}2C6H3SI-DME","","- C74 H93 I N2 O4 S -","- C74 H93 I N2 O4 S -","- C296 H372 I4 N8 O16 S4 -","4","0.5","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.0812","0.0541","","","0.1269","0.1397","","","","","","1.026","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032268","14.9171","0.0004","16.692","0.0005","21.1318","0.0007","96.468","0.007","110.11","0.008","94.888","0.007","4866","0.4","200","","200","","","","","","","","","7","P -1","-P 1","2","","(NEt4)[{(t-BuC6H4)3CCONH}2C6H3SI-I]-5(CHCl3)","","- C83 H108 Cl15 I2 N3 O2 S -","- C83 H108 Cl15 I2 N3 O2 S -","- C166 H216 Cl30 I4 N6 O4 S2 -","2","1","","Okamura, Taka-Aki; Kaga, Toshihisa; Yamashita, Satoshi; Furuya, Ryosuke; Onitsuka, Kiyotaka","Snapshot of Oxidation of Thiolate by Diiodine: Stabilization of Intermediate by NH···S Hydrogen Bonds.","The Journal of organic chemistry","2017","82","4","2187","2192","10.1021/acs.joc.7b00160","","","0.71075","MoKα","","0.0906","0.0695","","","0.1901","0.2024","","","","","","1.091","","","","has coordinates,has disorder","193256","2020-10-21","18:00:00",""
"4032269","27.622","0.008","27.622","0.008","19.122","0.002","90","","90","","120","","12635","5","293","","293","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C27 H26 N4 O3 S -","- C27 H26 N4 O3 S -","- C486 H468 N72 O54 S18 -","18","1","","Hoang, Anita; Popov, Kirill; Somfai, Peter","An Efficient Synthesis of (±)-Dehaloperophoramidine.","The Journal of organic chemistry","2017","82","4","2171","2176","10.1021/acs.joc.6b02969","","x-ray","0.7107","MoKα","","0.2216","0.0905","","","0.152","0.1655","","","","3.36","3.36","1.94","","","","has coordinates","288070","2023-12-06","12:50:38",""
"4032270","6.826","0.008","7.652","0.009","20.88","0.03","90","","92.8","0.02","90","","1089","2","120","","120","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H29 Br N6 S -","- C22 H29 Br N6 S -","- C44 H58 Br2 N12 S2 -","2","1","","Bugaenko, Dmitry I.; Yurovskaya, Marina A.; Karchava, Alexander V.","Quaternary N-(2-Pyridyl)-DABCO Salts: One-Pot in Situ Formation from Pyridine-N-oxides and Reactions with Nucleophiles: A Mild and Selective Route to Substituted N-(2-Pyridyl)-N'-ethylpiperazines.","The Journal of organic chemistry","2017","82","4","2136","2149","10.1021/acs.joc.6b02952","","x-ray","0.71073","MoKα","","0.2198","0.0994","","","0.197","0.2507","","","","","","0.98","","","","has coordinates","193258","2020-10-21","18:00:00",""
"4032271","11.376","0.0018","7.9619","0.0013","18.978","0.003","90","","100.026","0.004","90","","1692.7","0.5","120","2","120","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H19 F3 N4 O2 S -","- C15 H19 F3 N4 O2 S -","- C60 H76 F12 N16 O8 S4 -","4","2","","Bugaenko, Dmitry I.; Yurovskaya, Marina A.; Karchava, Alexander V.","Quaternary N-(2-Pyridyl)-DABCO Salts: One-Pot in Situ Formation from Pyridine-N-oxides and Reactions with Nucleophiles: A Mild and Selective Route to Substituted N-(2-Pyridyl)-N'-ethylpiperazines.","The Journal of organic chemistry","2017","82","4","2136","2149","10.1021/acs.joc.6b02952","","","0.71073","MoKα","","0.1386","0.0713","","","0.1431","0.1756","","","","","","1.013","","","","has coordinates,has disorder","193259","2020-10-21","18:00:00",""
"4032272","11.0651","0.0007","11.7597","0.0007","13.8038","0.0008","65.204","0.002","69.405","0.002","66.42","0.002","1457.44","0.16","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H22 F12 N6 Ni P2 -","- C24 H22 F12 N6 Ni P2 -","- C48 H44 F24 N12 Ni2 P4 -","2","1","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0499","0.0441","","","0.1131","0.1175","","","","","","1.025","","","","has coordinates,has disorder","193260","2020-10-21","18:00:00",""
"4032273","15.9755","0.0008","20.1371","0.001","14.1329","0.0007","90","","97.688","0.002","90","","4505.7","0.4","100","2","100","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C42 H35 Cl2 F12 N9 Ni2 P2 -","- C42 H35 Cl2 F12 N9 Ni2 P2 -","- C168 H140 Cl8 F48 N36 Ni8 P8 -","4","0.5","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0361","0.0284","","","0.0598","0.0626","","","","","","1.05","","","","has coordinates,has disorder","193260","2020-10-21","18:00:00",""
"4032274","8.3516","0.0003","8.3516","0.0003","23.0965","0.001","90","","90","","120","","1395.13","0.09","100","2","100","2","","","","","","","","5","R 3 c :H","R 3 -2""c","161","","","","- C6 H16 Br N O3 -","- C6 H16 Br N O3 -","- C36 H96 Br6 N6 O18 -","6","0.333333","","Paul, Avishek; Smith, Mark D.; Vannucci, Aaron K.","Photoredox-Assisted Reductive Cross-Coupling: Mechanistic Insight into Catalytic Aryl-Alkyl Cross-Couplings.","The Journal of organic chemistry","2017","82","4","1996","2003","10.1021/acs.joc.6b02830","","x-ray","0.71073","MoKα","","0.0302","0.0256","","","0.0579","0.0599","","","","","","1.076","","","","has coordinates","203907","2020-10-21","18:00:00",""
"4032275","8.5128","0.0002","9.5968","0.0003","11.2892","0.0003","87.5281","0.0011","78.3064","0.0012","67.9774","0.0012","836.69","0.04","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 O S -","- C22 H16 O S -","- C44 H32 O2 S2 -","2","1","","Muthupandi, Pandi; Sundaravelu, Nallappan; Sekar, Govindasamy","Domino Synthesis of Thiochromenes through Cu-Catalyzed Incorporation of Sulfur Using Xanthate Surrogate.","The Journal of organic chemistry","2017","82","4","1936","1942","10.1021/acs.joc.6b02740","","","0.71073","MoKα","","0.036","0.0319","","","0.0771","0.0807","","","","","","1.047","","","","has coordinates","193261","2020-10-21","18:00:00",""
"4032276","7.4752","0.0008","23.748","0.003","8.0038","0.001","90","","91.153","0.003","90","","1420.6","0.3","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","2","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0671","0.0464","","","0.1049","0.1162","","","","","","0.965","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032277","9.4042","0.0018","11.0208","0.0019","12.718","0.002","90","","90","","90","","1318.1","0.4","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 O3 -","- C15 H18 O3 -","- C60 H72 O12 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0974","0.0656","","","0.1677","0.1743","","","","","","1.436","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032278","7.4955","0.0004","9.7437","0.0006","19.7175","0.0011","90","","90","","90","","1440.05","0.14","200","2","200","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H21 O5 -","- C15 H21 O5 -","- C60 H84 O20 -","4","1","","Chuang, Hsiang-Yu; Isobe, Minoru","Synthesis of Rings DEF of Solanoeclepin A.","The Journal of organic chemistry","2017","82","4","2045","2058","10.1021/acs.joc.6b02886","","","0.71073","MoKα","","0.0417","0.0357","","","0.1009","0.1129","","","","","","1.117","","","","has coordinates","193262","2020-10-21","18:00:00",""
"4032279","11.195","0.002","12.865","0.003","15.664","0.003","102.232","0.004","93.783","0.005","110.067","0.004","2047.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H23 N O5 S -","- C23 H23 N O5 S -","- C92 H92 N4 O20 S4 -","4","2","","Chen, Junjie; Han, Xiuling; Lu, Xiyan","Atom-Economic Synthesis of Pentaleno[2,1-b]indoles via Tandem Cyclization of Alkynones Initiated by Aminopalladation.","The Journal of organic chemistry","2017","82","4","1977","1985","10.1021/acs.joc.6b02817","","","0.71073","MoKα","","0.1259","0.0663","","","0.1587","0.1915","","","","","","0.989","","","","has coordinates","193263","2020-10-21","18:00:00",""
"4032280","8.642","","11.567","","11.642","","101.14","","95.54","","95.45","","1128.78","","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 O2 S Se -","- C22 H20 O2 S Se -","- C44 H40 O4 S2 Se2 -","2","1","","Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.","The Journal of organic chemistry","2017","82","4","2269","2275","10.1021/acs.joc.6b03049","","","0.71073","MoKα","","0.1584","0.0938","","","0.2778","0.3363","","","","","","1.073","","","","has coordinates","193264","2020-10-21","18:00:00",""
"4032281","7.8935","0.0007","10.8422","0.001","17.1058","0.0014","101.808","0.007","95.419","0.007","101.351","0.008","1391","0.2","213.5","0.1","213.5","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C37 H30 N2 O -","- C37 H30 N2 O -","- C74 H60 N4 O2 -","2","1","","Zheng, Yang; Chi, Yongjian; Bao, Ming; Qiu, Lihua; Xu, Xinfang","Gold-Catalyzed Tandem Dual Heterocyclization of Enynones with 1,3,5-Triazines: Bicyclic Furan Synthesis and Mechanistic Insights.","The Journal of organic chemistry","2017","82","4","2129","2135","10.1021/acs.joc.6b02947","","","0.71073","MoKα","","0.082","0.0501","","","0.1018","0.1205","","","","","","1.036","","","","has coordinates","193265","2020-10-21","18:00:00",""
"4032282","11.1928","0.0003","5.2635","0.0001","15.5946","0.0004","90","","109.195","0.001","90","","867.65","0.04","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C38 H32 N4 O8 S2 -","2","1","","Ping, Xin-Ni; Wei, Pei-Shun; Zhu, Xiao-Qian; Xie, Jian-Wu","Catalyst-Controlled Switch in Diastereoselectivities: Enantioselective Construction of Functionalized 3,4-Dihydro-2H-thiopyrano[2,3-b]quinolines with Three Contiguous Stereocenters.","The Journal of organic chemistry","2017","82","4","2205","2210","10.1021/acs.joc.6b02688","","","0.71073","MoKα","","0.036","0.0327","","","0.0861","0.0953","","","","","","0.329","","","","has coordinates","193266","2020-10-21","18:00:00",""
"4032283","10.112","0.005","10.996","0.006","15.378","0.008","90","","90","","90","","1709.9","1.5","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H16 N2 O4 S -","- C19 H16 N2 O4 S -","- C76 H64 N8 O16 S4 -","4","1","","Ping, Xin-Ni; Wei, Pei-Shun; Zhu, Xiao-Qian; Xie, Jian-Wu","Catalyst-Controlled Switch in Diastereoselectivities: Enantioselective Construction of Functionalized 3,4-Dihydro-2H-thiopyrano[2,3-b]quinolines with Three Contiguous Stereocenters.","The Journal of organic chemistry","2017","82","4","2205","2210","10.1021/acs.joc.6b02688","","","0.71073","MoKα","","0.103","0.0561","","","0.099","0.1175","","","","","","1.011","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032284","9.3489","0.0005","15.6494","0.0009","18.4534","0.001","90","","102.884","0.002","90","","2631.8","0.3","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","16061201","","","- C29 H34 O4 S -","- C29 H34 O4 S -","- C116 H136 O16 S4 -","4","2","","Li, Zhen; Chen, Quan; Mayer, Peter; Mayr, Herbert","Nucleophilicity Parameters of Arylsulfonyl-Substituted Halomethyl Anions.","The Journal of organic chemistry","2017","82","4","2011","2017","10.1021/acs.joc.6b02844","","","0.71073","MoKα","","0.046","0.0419","","","0.1028","0.105","","","","","","1.083","","","","has coordinates","193268","2020-10-21","18:00:00",""
"4032285","9.9103","0.0003","11.3423","0.0003","19.3768","0.0005","90","","95.331","0.001","90","","2168.64","0.1","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H20 Cl I N2 O2 -","- C24 H20 Cl I N2 O2 -","- C96 H80 Cl4 I4 N8 O8 -","4","1","","Borra, Satheesh; Chandrasekhar, D.; Adhikary, Susanta; Rasala, Sandeep; Gokulnath, Sabapathi; Maurya, Ram Awatar","Visible-Light Driven Photocascade Catalysis: Union of N,N-Dimethylanilines and α-Azidochalcones in Flow Microreactors.","The Journal of organic chemistry","2017","82","4","2249","2256","10.1021/acs.joc.6b02932","","","0.71073","MoKα","","0.0428","0.0312","","","0.0817","0.0907","","","","","","1.032","","","","has coordinates","193269","2020-10-21","18:00:00",""
"4032286","9.7532","0.0003","15.3749","0.0003","12.3002","0.0003","90","","96.085","0.001","90","","1834.08","0.08","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 Cl N2 O -","- C23 H19 Cl N2 O -","- C92 H76 Cl4 N8 O4 -","4","1","","Borra, Satheesh; Chandrasekhar, D.; Adhikary, Susanta; Rasala, Sandeep; Gokulnath, Sabapathi; Maurya, Ram Awatar","Visible-Light Driven Photocascade Catalysis: Union of N,N-Dimethylanilines and α-Azidochalcones in Flow Microreactors.","The Journal of organic chemistry","2017","82","4","2249","2256","10.1021/acs.joc.6b02932","","","0.71073","MoKα","","0.0799","0.0425","","","0.0899","0.1038","","","","","","1.016","","","","has coordinates","193270","2020-10-21","18:00:00",""
"4032287","7.1333","0.0003","20.0738","0.001","11.9472","0.0006","90","","97.605","0.002","90","","1695.7","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 Br O5 -","- C17 H19 Br O5 -","- C68 H76 Br4 O20 -","4","1","","Griswold, Jessica A.; Horwitz, Matthew A.; Leiva, Leslie V.; Johnson, Jeffrey S.","Diastereoselective Organocatalytic Addition of α-Angelica Lactone to β-Halo-α-ketoesters.","The Journal of organic chemistry","2017","82","4","2276","2280","10.1021/acs.joc.6b03059","","","1.54178","CuKα","","0.0392","0.0361","","","0.0886","0.0912","","","","","","1.075","","","","has coordinates","193271","2020-10-21","18:00:00",""
"4032288","6.6795","0.0003","9.4844","0.0004","9.9184","0.0004","67.948","0.002","88.957","0.002","70.779","0.002","545.91","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C9 H11 I N2 S -","- C9 H11 I N2 S -","- C18 H22 I2 N4 S2 -","2","1","","Hasty, Scott J.; Bandara, Mithila D.; Rath, Nigam P.; Demchenko, Alexei V.","S-Benzimidazolyl (SBiz) Imidates as a Platform for Oligosaccharide Synthesis via Active-Latent, Armed-Disarmed, Selective, and Orthogonal Activations.","The Journal of organic chemistry","2017","82","4","1904","1911","10.1021/acs.joc.6b02478","","","0.71073","MoKα","","0.0323","0.0237","","","0.0522","0.0541","","","","","","1.019","","","","has coordinates,has disorder","193272","2020-10-21","18:00:00",""
"4032289","9.355","0.003","10.436","0.003","12.314","0.004","90","","102.117","0.017","90","","1175.4","0.6","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 N2 O2 -","- C14 H16 N2 O2 -","- C56 H64 N8 O8 -","4","1","","Bongers, Amanda; Clavette, Christian; Gan, Wei; Gorelsky, Serge I.; Betit, Lyanne; Lavergne, Kaitlyn; Markiewicz, Thomas; Moon, Patrick J.; Das Neves, Nicolas; Obhi, Nimrat K.; Toderian, Amy B.; Beauchemin, André M","Intermolecular Aminocarbonylation of Alkenes using Concerted Cycloadditions of Iminoisocyanates.","The Journal of organic chemistry","2017","82","2","1175","1194","10.1021/acs.joc.6b02713","","","0.71073","MoKα","","0.0519","0.0405","","","0.1052","0.1148","","","","","","1.023","","","","has coordinates","193273","2020-10-21","18:00:00",""
"4032290","7.5539","0.0006","9.4012","0.0008","13.3713","0.0011","86.824","0.002","88.522","0.001","85.809","0.002","945.35","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H14 Br2 O2 -","- C22 H14 Br2 O2 -","- C44 H28 Br4 O4 -","2","1","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0673","0.0542","","","0.1521","0.1625","","","","","","1.034","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4032291","9.5245","0.0005","9.7842","0.0005","10.2374","0.0005","113.522","0.0014","102.024","0.0015","94.4772","0.0016","841.62","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H30 Br4 O2 -","- C40 H30 Br4 O2 -","- C40 H30 Br4 O2 -","1","0.5","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0797","0.0471","","","0.0927","0.1073","","","","","","1.021","","","","has coordinates","193274","2020-10-21","18:00:00",""
"4032292","11.2972","0.0006","12.0856","0.0006","15.726","0.0008","105.336","0.0014","94.3058","0.0015","105.11","0.0014","1975.03","0.18","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H32 Cl2 I4 O2 -","- C41 H32 Cl2 I4 O2 -","- C82 H64 Cl4 I8 O4 -","2","1","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.0614","0.0504","","","0.142","0.1513","","","","","","1.035","","","","has coordinates","193274","2020-10-21","18:00:00",""
"4032293","8.4681","0.0006","13.0884","0.0009","14.0333","0.0009","84.5629","0.0019","78.6719","0.0019","77.9988","0.0018","1489.37","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C82 H64 Cl4 O4 -","- C80 H60 O4 -","- C80 H60 O4 -","1","0.5","","Huang, Changfeng; Li, Shuangjiang; Thakellapalli, Haresh; Farajidizaji, Behzad; Huang, Yiwei; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of Partially Hydrogenated Cycloparaphenylenes with Bent and Fused Structures Bearing Armchair Carbon Nanotube-like Connections.","The Journal of organic chemistry","2017","82","2","1166","1174","10.1021/acs.joc.6b02789","","","0.71073","MoKα","","0.1457","0.0981","","","0.2133","0.2421","","","","","","1.058","","","","has coordinates,has disorder","193274","2020-10-21","18:00:00",""
"4032294","5.3006","0.0011","9.2682","0.0019","14.148","0.003","100.2","0.03","100.72","0.03","103.43","0.03","646.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","- C28 H32 N4 O4 -","1","0.5","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.1104","0.0523","","","0.1437","0.1897","","","","","","0.955","","","","has coordinates","193275","2020-10-21","18:00:00",""
"4032295","5.5636","0.0011","19.244","0.004","10.159","0.002","90","","98.33","0.03","90","","1076.2","0.4","298","","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 N2 O2 -","- C12 H12 N2 O2 -","- C48 H48 N8 O8 -","4","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.132","0.085","","","0.2114","0.2392","","","","","","1.039","","","","has coordinates,has disorder","193276","2020-10-21","18:00:00",""
"4032296","6.56","0.0013","9.41","0.0019","11.8","0.002","82.35","0.03","89.37","0.03","74.32","0.03","694.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C32 H36 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.0634","0.0468","","","0.1556","0.2034","","","","","","1.236","","","","has coordinates","193277","2020-10-21","18:00:00",""
"4032297","6.1414","0.0012","10.463","0.002","12.483","0.003","110.06","0.03","102.97","0.03","92.87","0.03","727.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H22 N2 O2 -","- C14 H22 N2 O2 -","- C28 H44 N4 O4 -","2","1","","Zhu, Qiuhua; Ye, Ziwei; Yang, Weijie; Cai, Xiaotie; Tang, Ben Zhong","One-Pot Synthesis and Structure-Property Relationship of Aminomaleimides: Fluorescence Efficiencies in Monomers and Aggregates Easily Tuned by Switch of Aryl and Alkyl.","The Journal of organic chemistry","2017","82","2","1096","1104","10.1021/acs.joc.6b02706","","","0.71073","MoKα","","0.1625","0.0822","","","0.2384","0.3025","","","","","","1.041","","","","has coordinates","193278","2020-10-21","18:00:00",""
"4032298","11.0652","0.0006","20.5129","0.001","18.3751","0.0009","90","","95.359","0.002","90","","4152.5","0.4","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C88 H82 Ag4 Cl2 N8 O10 P4 -","- C88 H82 Ag4 Cl2 N8 O10 P4 -","- C176 H164 Ag8 Cl4 N16 O20 P8 -","2","0.5","","Wang, Chenxi; Cai, Juewang; Zhang, Min; Zhao, Xiaoming","Ag-Assisted Fluorination of Unprotected 4,6-Disubstituted 2-Aminopyrimidines with Selectfluor.","The Journal of organic chemistry","2017","82","2","1260","1265","10.1021/acs.joc.6b02624","","","0.71073","MoKα","","0.0314","0.0243","","","0.0522","0.0547","","","","","","1.116","","","","has coordinates,has disorder","193279","2020-10-21","18:00:00",""
"4032299","7.4415","0.0004","19.8456","0.001","12.5838","0.0007","90","","106.703","0.006","90","","1779.98","0.17","294.06","0.1","294.06","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 O4 -","- C21 H22 O4 -","- C84 H88 O16 -","4","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","x-ray","0.71073","MoKα","","0.0974","0.0669","","","0.1565","0.1796","","","","","","1.064","","","","has coordinates,has disorder","193280","2020-10-21","18:00:00",""
"4032300","9.191","0.005","12.87","0.007","15.671","0.008","90","","97.977","0.006","90","","1835.8","1.7","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H24 O3 -","- C22 H24 O3 -","- C88 H96 O12 -","4","1","","Luo, Yong-Chun; Ma, He; Hu, Xiu-Qin; Xu, Peng-Fei","Sc(OTf)3 Catalyzed [4 + 2]-Annulation Reaction between Electron-Rich Phenols and Donor-Acceptor Cyclopropanes: Synthesis of Polysubstituted Dihydronaphthols.","The Journal of organic chemistry","2017","82","2","1013","1023","10.1021/acs.joc.6b02566","","","0.71073","MoKα","","0.0622","0.0503","","","0.1553","0.167","","","","","","1.015","","","","has coordinates","193282","2020-10-21","18:00:00",""
"4032301","11.779","0.002","8.8723","0.0018","11.827","0.002","90","","109.89","0.004","90","","1162.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O4 -","- C13 H9 N O4 -","- C52 H36 N4 O16 -","4","1","","Sharma, Poonam; Rohilla, Sandeep; Jain, Nidhi","Palladium Catalyzed Carbonylative Coupling for Synthesis of Arylketones and Arylesters Using Chloroform as the Carbon Monoxide Source.","The Journal of organic chemistry","2017","82","2","1105","1113","10.1021/acs.joc.6b02711","","","0.71073","MoKα","","0.1054","0.0552","","","0.1759","0.229","","","","","","0.752","","","","has coordinates","193283","2020-10-21","18:00:00",""
"4032302","11.7029","0.0006","8.0441","0.0004","20.2235","0.001","90","","93.371","0.003","90","","1900.53","0.17","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N O2 -","- C26 H17 N O2 -","- C104 H68 N4 O8 -","4","1","","Sharma, Nitika; Peddinti, Rama Krishna","BF3·OEt2 Mediated Regioselective Reaction of Electron-Rich Arenes with 3-Ylidene Oxindoles.","The Journal of organic chemistry","2017","82","2","918","924","10.1021/acs.joc.6b02395","","","0.71073","MoKα","","0.1205","0.0447","","","0.0928","0.1166","","","","","","0.968","","","","has coordinates","193284","2020-10-21","18:00:00",""
"4032303","8.5039","0.0001","10.892","0.0002","12.5327","0.0002","74.116","0.001","87.385","0.001","86.061","0.001","1113.44","0.03","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 Cl0 N O5 -","- C25 H22 Cl N O5 -","- C50 H44 Cl2 N2 O10 -","2","1","","Sharma, Nitika; Peddinti, Rama Krishna","BF3·OEt2 Mediated Regioselective Reaction of Electron-Rich Arenes with 3-Ylidene Oxindoles.","The Journal of organic chemistry","2017","82","2","918","924","10.1021/acs.joc.6b02395","","","0.71073","MoKα","","0.1175","0.0941","","","0.2681","0.2912","","","","","","1.075","","","","has coordinates","193285","2020-10-21","18:00:00",""
"4032304","19.5111","0.0009","10.0621","0.0005","20.2837","0.001","90","","90","","90","","3982.1","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","N-Benzyl-3-(difluoronitromethyl)-2-oxoindolin-3-yl benzoate","","- C23 H16 F2 N2 O5 -","- C23 H16 F2 N2 O5 -","- C184 H128 F16 N16 O40 -","8","1","","Ding, Ransheng; Bakhshi, Pegah R.; Wolf, Christian","Organocatalytic Insertion of Isatins into Aryl Difluoronitromethyl Ketones.","The Journal of organic chemistry","2017","82","2","1273","1278","10.1021/acs.joc.6b02704","","x-ray","0.71073","MoKα","","0.0378","0.0316","","","0.0841","0.0872","","","","","","1.016","","","","has coordinates","193286","2020-10-21","18:00:00",""
"4032305","17.187","0.002","15.4893","0.0019","15.3026","0.0018","90","","109.844","0.002","90","","3831.9","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","(Z)-N-Benzyl-3-(fluoro(hydroxyimino)methyl)-2-oxoindolin-3-yl benzoate","","- C23 H17 F N2 O4 -","- C23 H17 F N2 O4 -","- C184 H136 F8 N16 O32 -","8","1","","Ding, Ransheng; Bakhshi, Pegah R.; Wolf, Christian","Organocatalytic Insertion of Isatins into Aryl Difluoronitromethyl Ketones.","The Journal of organic chemistry","2017","82","2","1273","1278","10.1021/acs.joc.6b02704","","x-ray","0.71073","MoKα","","0.0565","0.0457","","","0.1136","0.1185","","","","","","1.028","","","","has coordinates","193287","2020-10-21","18:00:00",""
"4032306","14.3865","0.0003","11.7129","0.0002","24.5179","0.0005","90","","97.8354","0.0007","90","","4092.88","0.14","93","2","93","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C61 H44 O -","- C61 H44 O -","- C244 H176 O4 -","4","1","","Murayama, Koichi; Shibata, Yu; Sugiyama, Haruki; Uekusa, Hidehiro; Tanaka, Ken","Synthesis, Structure, and Photophysical/Chiroptical Properties of Benzopicene-Based π-Conjugated Molecules.","The Journal of organic chemistry","2017","82","2","1136","1144","10.1021/acs.joc.6b02757","","","1.54186","CuKα","","0.0516","0.0427","","","0.112","0.1221","","","","","","1.105","","","","has coordinates","193288","2020-10-21","18:00:00",""
"4032307","23.4927","0.0017","23.4927","0.0017","9.703","0.0009","90","","90","","90","","5355.2","0.7","113","2","113","2","","","","","","","","6","P -4 21 c","P -4 2n","114","","","","- C33 H31 F N2 O2 S -","- C33 H31 F N2 O2 S -","- C264 H248 F8 N16 O16 S8 -","8","1","","Liu, Qiangqiang; Wang, Chan; Li, Qiang; Hou, Yajie; Wu, Ye; Liu, Lingyan; Chang, Weixing; Li, Jing","Povarov Reaction of Cycloiminium Formed in Situ via Hydroamination Cycloisomerization of Homopropargylic Amines with Electron-Rich Olefins.","The Journal of organic chemistry","2017","82","2","950","958","10.1021/acs.joc.6b02496","","","0.71073","MoKα","","0.0284","0.0262","","","0.0707","0.072","","","","","","1.037","","","","has coordinates","193289","2020-10-21","18:00:00",""
"4032308","5.6268","0.0011","17.614","0.003","9.1708","0.0017","90","","105.33","0.002","90","","876.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","cs35pt","","","- C20 H19 N3 O4 -","- C20 H19 N3 O4 -","- C40 H38 N6 O8 -","2","1","","Sousa, Cristina E. A.; Ribeiro, António M P; Gil Fortes, António; Cerqueira, Nuno M. F. S. A.; Alves, Maria J.","Total Facial Discrimination of 1,3-Dipolar Cycloadditions in a d-Erythrose 1,3-Dioxane Template: Computational Studies of a Concerted Mechanism.","The Journal of organic chemistry","2017","82","2","982","991","10.1021/acs.joc.6b02518","","x-ray","0.71073","MoKα","","0.039","0.0324","","","0.0749","0.0785","","","","","","1.064","","","","has coordinates","193290","2020-10-21","18:00:00",""
"4032309","10.6615","0.0008","11.4317","0.0009","17.7583","0.0014","90","","101.559","0.001","90","","2120.5","0.3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H19 I -","- C28 H19 I -","- C112 H76 I4 -","4","1","","García-García, Patricia; Sanjuán, Ana M; Rashid, Muhammad A.; Martínez-Cuezva, Alberto; Fernández-Rodríguez, Manuel A; Rodríguez, Félix; Sanz, Roberto","Synthesis of Functionalized 1H-Indenes and Benzofulvenes through Iodocyclization of o-(Alkynyl)styrenes.","The Journal of organic chemistry","2017","82","2","1155","1165","10.1021/acs.joc.6b02788","","","0.71073","MoKα","","0.0314","0.0286","","","0.0795","0.0812","","","","","","1.067","","","","has coordinates","193291","2020-10-21","18:00:00",""
"4032310","6.5366","0.0004","9.8897","0.0006","13.2763","0.001","90","","96.641","0.002","90","","852.49","0.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 F N5 O4 -","- C17 H14 F N5 O4 -","- C34 H28 F2 N10 O8 -","2","1","","Kinens, Artis; Sejejs, Marcis; Kamlet, Adam S.; Piotrowski, David W.; Vedejs, Edwin; Suna, Edgars","Development of a Chiral DMAP Catalyst for the Dynamic Kinetic Resolution of Azole Hemiaminals.","The Journal of organic chemistry","2017","82","2","869","886","10.1021/acs.joc.6b02955","","","0.71073","MoKα","","0.1331","0.0662","","","0.1143","0.1362","","","","","","1.008","","","","has coordinates","193292","2020-10-21","18:00:00",""
"4032311","13.5743","0.0005","7.6627","0.0004","18.0825","0.0011","90","","107.822","0.0017","90","","1790.61","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H14 Br N5 O4 -","- C17 H14 Br N5 O4 -","- C68 H56 Br4 N20 O16 -","4","2","","Kinens, Artis; Sejejs, Marcis; Kamlet, Adam S.; Piotrowski, David W.; Vedejs, Edwin; Suna, Edgars","Development of a Chiral DMAP Catalyst for the Dynamic Kinetic Resolution of Azole Hemiaminals.","The Journal of organic chemistry","2017","82","2","869","886","10.1021/acs.joc.6b02955","","","0.71073","MoKα","","0.1263","0.0797","","","0.1501","0.1697","","","","","","1.096","","","","has coordinates","193293","2020-10-21","18:00:00",""
"4032312","8.83606","0.00017","16.4052","0.0004","18.6621","0.0004","90","","98.1201","0.0007","90","","2678.09","0.1","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C63 H70 Cl2 N4 Ni2 -","- C63 H70 Cl2 N4 Ni2 -","- C126 H140 Cl4 N8 Ni4 -","2","0.5","","Ando, Shin; Matsunaga, Hirofumi; Ishizuka, Tadao","An N-Heterocyclic Carbene-Nickel Half-Sandwich Complex as a Precatalyst for Suzuki-Miyaura Coupling of Aryl/Heteroaryl Halides with Aryl/Heteroarylboronic Acids.","The Journal of organic chemistry","2017","82","2","1266","1272","10.1021/acs.joc.6b02666","","","0.71075","MoKα","","0.0325","0.0303","","","0.0778","0.0795","","","","","","1.049","","","","has coordinates,has disorder","193294","2020-10-21","18:00:00",""
"4032313","6.0244","0.0004","16.4432","0.001","20.5214","0.0013","90","","90","","90","","2032.9","0.2","100","2","99.99","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H30 N2 O5 -","- C19 H30 N2 O5 -","- C76 H120 N8 O20 -","4","1","","Kang, Chang Won; Sarnowski, Matthew P.; Elbatrawi, Yassin M.; Del Valle, Juan R.","Access to Enantiopure α-Hydrazino Acids for N-Amino Peptide Synthesis.","The Journal of organic chemistry","2017","82","3","1833","1841","10.1021/acs.joc.6b02718","","","1.54178","CuKα","","0.1085","0.0704","","","0.1644","0.1892","","","","","","1.046","","","","has coordinates","193295","2020-10-21","18:00:00",""
"4032314","10.648","0.003","11.0701","0.0017","11.8977","0.0018","116.548","0.002","101.481","0.003","102.641","0.003","1151.2","0.4","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C62 H46 N2 O4 -","2","1","","Han, Ya-Ping; Li, Xue-Song; Zhu, Xin-Yu; Li, Ming; Zhou, Li; Song, Xian-Rong; Liang, Yong-Min","Lewis Acid Catalyzed Dehydrogenative Coupling of Tertiary Propargylic Alcohols with Quinoline N-Oxides.","The Journal of organic chemistry","2017","82","3","1697","1704","10.1021/acs.joc.6b02882","","","0.71073","MoKα","","0.0839","0.0482","","","0.1196","0.1534","","","","","","1.038","","","","has coordinates","193296","2020-10-21","18:00:00",""
"4032315","16.3051","0.0007","6.5192","0.0003","15.4278","0.0006","90","","97.909","0.001","90","","1624.32","0.12","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N O9 -","- C14 H18 N O9 -","- C56 H72 N4 O36 -","4","0.5","","Huang, Shengdian; Paletta, Joseph T.; Elajaili, Hanan; Huber, Kirby; Pink, Maren; Rajca, Suchada; Eaton, Gareth R.; Eaton, Sandra S.; Rajca, Andrzej","Synthesis and Electron Spin Relaxation of Tetracarboxylate Pyrroline Nitroxides.","The Journal of organic chemistry","2017","82","3","1538","1544","10.1021/acs.joc.6b02737","","","0.41328","synchrotron","","0.0645","0.0494","","","0.1273","0.1513","","","","","","1.23","","","","has coordinates","193297","2020-10-21","18:00:00",""
"4032316","8.6695","0.0016","10.986","0.002","13.159","0.003","81.424","0.004","76.719","0.004","69.087","0.004","1136.3","0.4","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H30 N2 S -","- C29 H30 N2 S -","- C58 H60 N4 S2 -","2","1","","Lvov, Andrey G.; Kavun, Alexey M.; Kachala, Vadim V.; Nelyubina, Yulia V.; Metelitsa, Anatoly V.; Shirinian, Valerii Z.","Structural and Spectral Properties of Photochromic Diarylethenes: Size Effect of the Ethene Bridge.","The Journal of organic chemistry","2017","82","3","1477","1486","10.1021/acs.joc.6b02665","","","0.71073","MoKα","","0.0757","0.0597","","","0.136","0.1433","","","","","","1.074","","","","has coordinates,has disorder","193298","2020-10-21","18:00:00",""
"4032317","5.3972","0.0004","9.9775","0.0007","14.1887","0.001","97.739","0.007","93.504","0.007","99.049","0.007","745.04","0.1","293","","293","","","","","","","","","5","P -1","-P 1","2","","","","- C16 H10 Br Cl F4 -","- C32 H20 Br2 Cl2 F8 -","- C32 H20 Br2 Cl2 F8 -","1","0.5","","Sakaguchi, Yukiho; Yamada, Shigeyuki; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio","Stereochemically Defined Various Multisubstituted Alkenes Bearing a Tetrafluoroethylene (-CF2CF2-) Fragment.","The Journal of organic chemistry","2017","82","3","1618","1631","10.1021/acs.joc.6b02793","","","0.71075","MoKα","","0.034","0.0292","","","0.0673","0.0697","","","","","","1.06","","","","has coordinates","193299","2020-10-21","18:00:00",""
"4032318","5.744","0.0002","9.868","0.0002","26.1249","0.0006","89.552","0.002","84.71","0.002","76.664","0.002","1434.6","0.07","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H11 Br F4 -","- C16 H11 Br F4 -","- C64 H44 Br4 F16 -","4","2","","Sakaguchi, Yukiho; Yamada, Shigeyuki; Konno, Tsutomu; Agou, Tomohiro; Kubota, Toshio","Stereochemically Defined Various Multisubstituted Alkenes Bearing a Tetrafluoroethylene (-CF2CF2-) Fragment.","The Journal of organic chemistry","2017","82","3","1618","1631","10.1021/acs.joc.6b02793","","","0.71073","MoKα","","0.0421","0.0302","","","0.0652","0.0711","","","","","","1.011","","","","has coordinates","193300","2020-10-21","18:00:00",""
"4032319","8.7897","0.0001","12.307","0.0002","26.0231","0.0003","90","","93.932","0.001","90","","2808.42","0.06","288","2","288","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H48 O4 -","- C30 H48 O4 -","- C120 H192 O16 -","4","2","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0432","0.0402","","","0.1223","0.1269","","","","","","1.031","","","","has coordinates","193301","2020-10-21","18:00:00",""
"4032320","9.111","0.0001","9.8829","0.0001","14.9752","0.0002","90","","100.127","0.001","90","","1327.41","0.03","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O3 -","- C29 H44 O3 -","- C58 H88 O6 -","2","1","","Hou, Ji-Qin; Guo, Cui; Zhao, Jian-Juan; He, Qi-Wei; Zhang, Bao-Bao; Wang, Hao","Frutescone A-G, Tasmanone-Based Meroterpenoids from the aerial parts of Baeckea frutescens.","The Journal of organic chemistry","2017","82","3","1448","1457","10.1021/acs.joc.6b02643","","","1.54184","CuKα","","0.0358","0.0355","","","0.1036","0.104","","","","","","1.06","","","","has coordinates","193302","2020-10-21","18:00:00",""
"4032321","5.9648","0.0003","34.2029","0.0015","10.1737","0.0006","90","","91.052","0.005","90","","2075.22","0.18","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C11 H13 N3 O -","- C11 H13 N3 O -","- C88 H104 N24 O8 -","8","4","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.069","0.06","","","0.1579","0.1676","","","","","","1.087","","","","has coordinates","193303","2020-10-21","18:00:00",""
"4032322","30.257","0.002","6.1188","0.0004","18.0108","0.0013","90","","90","","90","","3334.5","0.4","150","2","150","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C14 H10 N4 -","- C14 H10 N4 -","- C168 H120 N48 -","12","3","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.269","0.2165","","","0.4274","0.4573","","","","","","1.067","","","","has coordinates","193304","2020-10-21","18:00:00",""
"4032323","5.8539","0.0006","27.248","0.002","15.506","0.003","90","","100.049","0.013","90","","2435.4","0.6","150","2","150","2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H12 N4 O -","- C14 H12 N4 O -","- C112 H96 N32 O8 -","8","4","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.1194","0.0709","","","0.1698","0.1983","","","","","","1.022","","","","has coordinates,has disorder","193305","2020-10-21","18:00:00",""
"4032324","13.9167","0.0003","14.5107","0.0003","6.79621","0.00018","90","","90","","90","","1372.43","0.05","297","2","297","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H13 N3 O2 -","- C15 H13 N3 O2 -","- C60 H52 N12 O8 -","4","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0431","0.0402","","","0.1131","0.1161","","","","","","1.039","","","","has coordinates","193306","2020-10-21","18:00:00",""
"4032325","11.9213","0.0006","4.6621","0.0002","15.1386","0.0007","90","","104.387","0.005","90","","814.99","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N3 O -","- C8 H9 N3 O -","- C32 H36 N12 O4 -","4","1","","Safin, Damir A.; Mitoraj, Mariusz P.; Babashkina, Maria G.; Kubisiak, Piotr; Robeyns, Koen; Filinchuk, Yaroslav","Alternative Route Toward Nitrones: Experimental and Theoretical Findings.","The Journal of organic chemistry","2017","82","3","1666","1675","10.1021/acs.joc.6b02821","","","0.71073","MoKα","","0.0572","0.0492","","","0.1256","0.131","","","","","","1.077","","","","has coordinates","193307","2020-10-21","18:00:00",""
"4032326","6.3297","0.0013","19.665","0.004","22.568","0.005","90","","90","","90","","2809.1","1","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H18 N2 O2 -","- C16 H18 N2 O2 -","- C128 H144 N16 O16 -","8","1","","Chang, Lina; Guo, Tao; Wang, Ziyi; Wang, Shaozhong; Yao, Zhu-Jun","Azepinoindole Synthesis via a N-Bromosuccinimide-Induced Cycloisomerization of Enaminoester/Enaminone.","The Journal of organic chemistry","2017","82","3","1567","1574","10.1021/acs.joc.6b02760","","","0.71073","MoKα","","0.1858","0.0759","","","0.1076","0.1344","","","","","","1","","","","has coordinates","193308","2020-10-21","18:00:00",""
"4032327","9.246","0.003","16.491","0.008","10.257","0.003","90","","110.25","0.03","90","","1467.3","1","80","2","80","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 N2 -","- C17 H18 N2 -","- C68 H72 N8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1464","0.0755","","","0.1492","0.1816","","","","","","1.02","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032328","11.512","0.004","9.57","0.003","9.098","0.003","90","","112.68","0.03","90","","924.8","0.6","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1162","0.0688","","","0.1635","0.1901","","","","","","1.021","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032329","5.748","0.002","9.359","0.003","14.383","0.005","83.71","0.03","79.77","0.03","74.56","0.03","732.4","0.4","80","","80","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H14 N2 O2 -","- C18 H14 N2 O2 -","- C36 H28 N4 O4 -","2","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1082","0.0557","","","0.0909","0.109","","","","","","1.02","","","","has coordinates,has disorder","193309","2020-10-21","18:00:00",""
"4032330","8.074","0.002","8.623","0.002","22.992","0.006","90","","99.38","0.03","90","","1579.3","0.7","80","2","80","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.0736","0.0483","","","0.0978","0.1136","","","","","","1.015","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032331","6.0498","0.0017","8.2177","0.0019","16.171","0.005","88.79","0.05","82.33","0.05","81.94","0.05","788.9","0.4","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C40 H28 N4 O4 -","2","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1665","0.0816","","","0.0858","0.1107","","","","","","1.006","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032332","6.096","0.002","7.633","0.002","27.289","0.008","90","","91.67","0.03","90","","1269.2","0.7","80","2","80","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N2 S -","- C15 H14 N2 S -","- C60 H56 N8 S4 -","4","1","","Pigulski, Bartłomiej; Męcik, Patrycja; Cichos, Jakub; Szafert, Sławomir","Use of Stable Amine-Capped Polyynes in the Regioselective Synthesis of Push-Pull Thiophenes.","The Journal of organic chemistry","2017","82","3","1487","1498","10.1021/acs.joc.6b02685","","","0.71073","MoKα","","0.1017","0.0764","","","0.1261","0.1378","","","","","","1.154","","","","has coordinates","193309","2020-10-21","18:00:00",""
"4032333","9.0314","0.0006","9.1791","0.0007","10.927","0.0006","71.905","0.006","71.569","0.006","61.983","0.007","744.33","0.1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C32 H28 N4 O6 -","2","1","","Zhang, Huaiyuan; Huang, Danfeng; Wang, Ke-Hu; Li, Jun; Su, Yingpeng; Hu, Yulai","Synthesis of Benzimidazolones via One-Pot Reaction of Hydroxylamines, Aldehydes, and Trimethylsilyl Cyanide Promoted by Diacetoxyiodobenzene.","The Journal of organic chemistry","2017","82","3","1600","1609","10.1021/acs.joc.6b02781","","x-ray","0.71073","MoKα","","0.0877","0.0562","","","0.1325","0.1546","","","","","","1.104","","","","has coordinates","193310","2020-10-21","18:00:00",""
"4032334","6.2961","0.0001","8.1075","0.0001","10.7109","0.0002","82.602","0.001","83.304","0.001","81.408","0.001","533.459","0.015","140","2","140","2","","","","","","","","3","P 1","P 1","1","","","","- C23 H34 O4 -","- C23 H34 O4 -","- C23 H34 O4 -","1","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0513","0.0458","","","0.1304","0.1435","","","","","","1.133","","","","has coordinates","193311","2020-10-21","18:00:00",""
"4032335","8.3667","0.0002","5.5161","0.0002","15.6625","0.0004","90","","102.589","0.001","90","","705.47","0.04","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C34 H44 O6 -","2","1","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0366","0.0357","","","0.1033","0.1048","","","","","","1.115","","","","has coordinates","193312","2020-10-21","18:00:00",""
"4032336","7.4341","0.0001","14.7479","0.0002","13.3819","0.0001","90","","91.31","","90","","1466.77","0.03","140","2","140","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H22 O3 -","- C17 H22 O3 -","- C68 H88 O12 -","4","2","","Liao, Hai-Bing; Huang, Guang-Hui; Yu, Mei-Hua; Lei, Chun; Hou, Ai-Jun","Five Pairs of Meroterpenoid Enantiomers from Rhododendron capitatum.","The Journal of organic chemistry","2017","82","3","1632","1637","10.1021/acs.joc.6b02800","","","1.54178","CuKα","","0.0338","0.0331","","","0.0847","0.0901","","","","","","1.095","","","","has coordinates","193313","2020-10-21","18:00:00",""
"4032337","5.84776","0.00016","9.0048","0.0002","24.9796","0.0005","90","","92.069","0.002","90","","1314.52","0.05","293.15","","293.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 Br O2 -","- C15 H11 Br O2 -","- C60 H44 Br4 O8 -","4","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0585","0.0547","","","0.1513","0.1568","","","","","","1.05","","","","has coordinates","193314","2020-10-21","18:00:00",""
"4032338","10.1471","0.0003","13.2702","0.0003","14.9401","0.0004","90","","106.293","0.003","90","","1930.95","0.09","293","","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 N O5 -","- C21 H21 N O5 -","- C84 H84 N4 O20 -","4","1","","He, Zhen; Qi, Xiaotian; She, Zhijie; Zhao, Yinsong; Li, Shiqing; Tang, Junbin; Gao, Ge; Lan, Yu; You, Jingsong","Room-Temperature Coupling/Decarboxylation Reaction of α-Oxocarboxylates with α-Bromoketones: Solvent-Controlled Regioselectivity for 1,2- and 1,3-Diketones.","The Journal of organic chemistry","2017","82","3","1403","1411","10.1021/acs.joc.6b02575","","x-ray","1.54184","CuKα","","0.0651","0.0578","","","0.1641","0.1741","","","","","","1.037","","","","has coordinates","193315","2020-10-21","18:00:00",""
"4032339","5.82677","0.00011","9.95071","0.00018","13.6194","0.0003","90","","101.711","0.0018","90","","773.22","0.03","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H17 N0.5 O3 -","- C19 H17 N O3 -","- C38 H34 N2 O6 -","2","1","","Zhang, Yong; Wang, Qiuyan; Wang, Ting; He, Huan; Yang, Wenqiang; Zhang, Xinhao; Cai, Qian","Enantioselective Synthesis of Chiral Oxygen-Containing Heterocycles Using Copper-Catalyzed Aryl C-O Coupling Reactions via Asymmetric Desymmetrization.","The Journal of organic chemistry","2017","82","3","1458","1463","10.1021/acs.joc.6b02646","","x-ray","1.54184","CuKα","","0.0308","0.0302","","","0.0782","0.0796","","","","","","1.101","","","","has coordinates","193316","2020-10-21","18:00:00",""
"4032340","7.598","0.005","12.832","0.009","13.345","0.009","74.526","0.007","76.45","0.007","82.005","0.007","1215","1.4","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 O2 S -","- C14 H12 O2 S -","- C56 H48 O8 S4 -","4","2","","Kim, Ji Eun; Lee, Jinsub; Yun, Hyunsik; Baek, Yonghyeon; Lee, Phil Ho","Rhodium-Catalyzed Intramolecular Transannulation Reaction of Alkynyl Thiadiazole Enabled 5,n-Fused Thiophenes.","The Journal of organic chemistry","2017","82","3","1437","1447","10.1021/acs.joc.6b02614","","","0.71073","","","0.0757","0.0429","","","0.0906","0.1018","","","","","","1.033","","","","has coordinates","193317","2020-10-21","18:00:00",""
"4032341","9.7527","0.0006","8.3311","0.0006","24.3083","0.0018","90","","100.212","0.006","90","","1943.8","0.2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Cl N3 O2 S -","- C22 H18 Cl N3 O2 S -","- C88 H72 Cl4 N12 O8 S4 -","4","1","","De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereoselective Copper-Catalyzed Cross-Coupling of Aziridines with Benzimidazoles via Nucleophilic Ring Opening and C(sp(2))-H Functionalization.","The Journal of organic chemistry","2017","82","6","3183","3191","10.1021/acs.joc.7b00265","","","0.71073","MoKα","","0.0679","0.0496","","","0.1295","0.138","","","","","","1.081","","","","has coordinates","194851","2020-10-21","18:00:00",""
"4032342","13.4172","0.0013","6.0529","0.0004","28.871","0.002","90","","117.325","0.006","90","","2083.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N3 O2 S -","- C22 H27 N3 O2 S -","- C88 H108 N12 O8 S4 -","4","1","","De, Pinaki Bhusan; Pradhan, Sourav; Punniyamurthy, Tharmalingam","Stereoselective Copper-Catalyzed Cross-Coupling of Aziridines with Benzimidazoles via Nucleophilic Ring Opening and C(sp(2))-H Functionalization.","The Journal of organic chemistry","2017","82","6","3183","3191","10.1021/acs.joc.7b00265","","","0.71073","MoKα","","0.1077","0.0445","","","0.0852","0.0953","","","","","","0.8","","","","has coordinates","194851","2020-10-21","18:00:00",""
"4032344","11.21961","0.00004","11.09937","0.00005","18.19019","0.00007","90","","104.933","0.0004","90","","2188.73","0.016","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O4 S -","- C25 H27 N O4 S -","- C100 H108 N4 O16 S4 -","4","1","","Zhao, Yichao; Jin, Jianwen; Boyle, Joshua William; Lee, Bo Ra; Day, David Philip; Susanti, Dewi; Clarkson, Guy James; Chan, Philip Wai Hong","Silver-Catalyzed 1,3-Acyloxy Migration/Diels-Alder Reaction of 1,9-Dien-4-yne Esters to Partially Hydrogenated Isoquinolines.","The Journal of organic chemistry","2017","82","6","2826","2834","10.1021/acs.joc.7b00048","","x-ray","1.54184","CuKα","","0.0405","0.0403","","","0.1104","0.1106","","","","","","1.04","","","","has coordinates","194852","2020-10-21","18:00:00",""
"4032345","21.016","0.004","5.9939","0.0011","30.001","0.006","90","","99.403","0.004","90","","3728.4","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H22 O3 -","- C25 H22 O3 -","- C200 H176 O24 -","8","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0764","0.0464","","","0.1","0.1131","","","","","","1.023","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032346","25.5837","0.0007","17.5631","0.0005","18.0778","0.0005","90","","95.177","0.001","90","","8089.7","0.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C448 H416 O32 -","16","4","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.08","0.0507","","","0.1437","0.1703","","","","","","1.028","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032347","7.7664","0.0008","8.1366","0.0009","34.746","0.004","90","","90","","90","","2195.7","0.4","99","2","99","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H24 O2 -","- C30 H24 O2 -","- C120 H96 O8 -","4","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0827","0.0493","","","0.0906","0.1015","","","","","","1.029","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032348","16.4015","0.0013","10.9309","0.001","25.431","0.002","90","","101.801","0.003","90","","4463","0.6","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 O2 -","- C31 H26 O2 -","- C248 H208 O16 -","8","1","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0445","0.0389","","","0.1009","0.1048","","","","","","1.046","","","","has coordinates","194857","2020-10-21","18:00:00",""
"4032349","17.9825","0.0012","7.8621","0.0005","31.386","0.002","90","","99.609","0.002","90","","4375.1","0.5","100","2","100","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C29 H24 O3 -","- C29 H24 O3 -","- C232 H192 O24 -","8","2","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0581","0.0457","","","0.0964","0.1038","","","","","","0.999","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032372","5.1053","0.0003","18.1238","0.0012","12.8535","0.0007","90","","93.383","0.006","90","","1187.23","0.12","292.96","0.15","292.96","0.15","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-11H-indolo[3,2-c]quinoline","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C64 H48 N8 O4 -","4","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Orazova, Naila A.; Aksenov, Nicolai A.; Griaznov, Georgii D.; De Carvalho, Annelise; Kiss, Robert; Mathieu, Véronique; Kornienko, Alexander; Rubin, Michael","One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine.","The Journal of organic chemistry","2017","82","6","3011","3018","10.1021/acs.joc.6b03084","","x-ray","1.54184","CuKα","","0.0527","0.046","","","0.1238","0.1334","","","","","","1.089","","","","has coordinates","194855","2020-10-21","18:00:00",""
"4032373","20.00573","0.00015","20.00573","0.00015","13.20742","0.00018","90","","90","","90","","5286","0.09","100","0.1","100","0.1","","","","","","","","4","I 41 c d","I 4bw -2c","110","","2,3-dimethoxy-11H-indolo[3,2-c]quinoline","","- C17 H14 N2 O2 -","- C17 H14 N2 O2 -","- C272 H224 N32 O32 -","16","1","","Aksenov, Alexander V.; Aksenov, Dmitrii A.; Orazova, Naila A.; Aksenov, Nicolai A.; Griaznov, Georgii D.; De Carvalho, Annelise; Kiss, Robert; Mathieu, Véronique; Kornienko, Alexander; Rubin, Michael","One-Pot, Three-Component Assembly of Indoloquinolines: Total Synthesis of Isocryptolepine.","The Journal of organic chemistry","2017","82","6","3011","3018","10.1021/acs.joc.6b03084","","x-ray","1.54184","CuKα","","0.0369","0.0346","","","0.087","0.0878","","","","","","1.062","","","","has coordinates","194855","2020-10-21","18:00:00",""
"4032376","11.1054","0.0005","12.9232","0.0007","14.2178","0.0009","107.242","0.002","100.964","0.001","98.286","0.002","1868.98","0.18","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H19 N O -","- C25 H19 N O -","- C100 H76 N4 O4 -","4","2","","Xu, Jianfeng; Luo, Yi; Xu, Huaping; Chen, Zhengkai; Miao, Maozhong; Ren, Hongjun","Catalyst-Controlled Chemodivergent Modification of Indoles with 2-Furylcarbinols: Piancatelli Reaction vs Cross-Dehydrative Coupling Reaction.","The Journal of organic chemistry","2017","82","7","3561","3570","10.1021/acs.joc.7b00090","","","0.71073","MoKα","","0.0926","0.0483","","","0.1232","0.1638","","","","","","1.002","","","","has coordinates","196156","2020-10-21","18:00:00",""
"4032377","8.6464","0.0005","5.6834","0.0003","12.7817","0.0007","90","","99.604","0.001","90","","619.3","0.06","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C30 H20 F6 N2 O4 -","2","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.0333","0.0333","","","0.0918","0.0919","","","","","","1.073","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032378","4.2186","0.0009","9.333","0.002","13.852","0.003","90","","93.134","0.004","90","","544.6","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H10 F N O2 -","- C14 H10 F N O2 -","- C28 H20 F2 N2 O4 -","2","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","0.71073","MoKα","","0.0497","0.0346","","","0.0712","0.0769","","","","","","1.059","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032379","8.0964","0.0011","23.977","0.003","7.0192","0.0008","90","","114.33","0.007","90","","1241.6","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C60 H40 F12 N4 O8 -","4","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.1464","0.0819","","","0.212","0.2546","","","","","","1.033","","","","has coordinates","196146","2020-10-21","18:00:00",""
"4032380","6.0667","0.0005","15.3771","0.0013","13.1958","0.0011","90","","93.36","0.003","90","","1228.9","0.18","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H9.43 Cl1.58 N O2 -","- C14 H9.425 Cl1.575 N O2 -","- C56 H37.7 Cl6.3 N4 O8 -","4","1","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","0.71073","MoKα","","0.0975","0.0622","","","0.1241","0.1343","","","","","","1.189","","","","has coordinates,has disorder","196146","2020-10-21","18:00:00",""
"4032381","14.0387","0.001","5.751","0.0004","16.2336","0.0011","90","","98.473","0.005","90","","1296.34","0.16","90","0.5","90","0.5","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C27 H15 B Br2 Cl2 F2 N2 O3 -","- C27 H15 B Br2 Cl2 F2 N2 O3 -","- C54 H30 B2 Br4 Cl4 F4 N4 O6 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Enhanced Hypsochromic Shifts, Quantum Yield, and π-π Interactions in a meso,β-Heteroaryl-Fused BODIPY.","The Journal of organic chemistry","2017","82","7","3880","3885","10.1021/acs.joc.6b02981","","","1.54184","CuKα","","0.1175","0.1002","","","0.2457","0.2689","","","","","","1.1","","","","has coordinates","196157","2020-10-21","18:00:00",""
"4032382","10.0033","0.0009","10.2945","0.0009","10.8914","0.001","115.154","0.002","111.867","0.002","93.784","0.002","907.97","0.14","90","0.5","90","0.5","","","","","","","","8","P -1","-P 1","2","","","","- C15 H5 B Br2 Cl4 F2 N2 O -","- C15 H5 B Br2 Cl4 F2 N2 O -","- C30 H10 B2 Br4 Cl8 F4 N4 O2 -","2","1","","Zhao, Ning; Xuan, Sunting; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Enhanced Hypsochromic Shifts, Quantum Yield, and π-π Interactions in a meso,β-Heteroaryl-Fused BODIPY.","The Journal of organic chemistry","2017","82","7","3880","3885","10.1021/acs.joc.6b02981","","","0.71073","MoKα","","0.0368","0.0277","","","0.0704","0.0746","","","","","","1.033","","","","has coordinates","196157","2020-10-21","18:00:00",""
"4032384","19.5031","0.0003","16.6971","0.0002","20.1118","0.0003","90","","109.923","0.0018","90","","6157.33","0.17","293","","293","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H32 N2 O6 -","- C36 H32 N2 O6 -","- C288 H256 N16 O48 -","8","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1125","0.0855","","","0.2583","0.2693","","","","","","1.147","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032385","15.9993","0.0007","10.8867","0.0005","16.1051","0.0009","90","","114.97","0.006","90","","2543","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H27 Br N2 O6 -","- C26 H27 Br N2 O6 -","- C104 H108 Br4 N8 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0874","0.0598","","","0.1557","0.1828","","","","","","1.033","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032386","16.7281","0.0004","10.2986","0.00017","16.3055","0.0004","90","","116.342","0.003","90","","2517.36","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H27 N3 O6 -","- C27 H27 N3 O6 -","- C108 H108 N12 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0723","0.0552","","","0.1552","0.1729","","","","","","1.069","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032387","12.5019","0.0014","21.1909","0.0018","10.0757","0.0015","90","","95.255","0.013","90","","2658.1","0.5","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O6 -","- C30 H28 N2 O6 -","- C120 H112 N8 O24 -","4","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1563","0.1024","","","0.3016","0.3586","","","","","","1.043","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032388","11.2044","0.0007","11.5815","0.0006","12.9947","0.0008","75.244","0.005","88.54","0.005","67.453","0.005","1501.06","0.17","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N4 O4 -","- C34 H32 N4 O4 -","- C68 H64 N8 O8 -","2","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.1073","0.0883","","","0.2712","0.2972","","","","","","1.099","","","","has coordinates,has disorder","196152","2020-10-21","18:00:00",""
"4032389","19.1282","0.0004","12.24","0.0002","25.3264","0.0005","90","","97.9603","0.0018","90","","5872.5","0.2","293","","293","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C34 H32 N4 O4 -","- C34 H32 N4 O4 -","- C272 H256 N32 O32 -","8","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0556","0.048","","","0.1302","0.1401","","","","","","1.046","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032390","10.7283","0.0003","11.4578","0.0004","14.3942","0.0003","97.385","0.002","97.614","0.002","113.028","0.003","1582.16","0.09","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H35 N3 O6 -","- C35 H35 N3 O6 -","- C70 H70 N6 O12 -","2","1","","Naidu, Gonna Somu; Singh, Rekha; Kumar, Mukesh; Ghosh, Sunil K.","Tuning the Stability and the Reactivity of Substituted [3]Dendralenes for Quick Access to Diverse Copiously Functionalized Fused Polycycles with Step and Atom Economy.","The Journal of organic chemistry","2017","82","7","3648","3658","10.1021/acs.joc.7b00169","","x-ray","1.54184","CuKα","","0.0637","0.0546","","","0.1443","0.1532","","","","","","1.044","","","","has coordinates","196152","2020-10-21","18:00:00",""
"4032391","10.9903","0.0019","17.558","0.003","19.758","0.004","99.562","0.003","105.779","0.003","107.217","0.003","3376.1","1.1","90","2","90","2","","","","","","","","5","P -1","-P 1","2","Sc3N@C80-NHC-2a","","","- C109.5 H36 N3 S5 Sc3 -","- C109.5 H36 N3 S5 Sc3 -","- C219 H72 N6 S10 Sc6 -","2","1","","Chen, Muqing; Shen, Wangqiang; Peng, Ping; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Jin, Peng; Fang, Hongyun; Li, Fang-Fang; Lu, Xing","Evidence of Oxygen Activation in the Reaction between an N-Heterocyclic Carbene and M3N@Ih(7)-C80: An Unexpected Method of Steric Hindrance Release.","The Journal of organic chemistry","2017","82","7","3500","3505","10.1021/acs.joc.6b03004","","","0.71073","MoKα","","0.1272","0.0784","","","0.205","0.2401","","","","","","1.046","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4032392","11.028","0.005","17.708","0.005","19.684","0.005","99.143","0.005","106.102","0.005","106.977","0.005","3410","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","Lu3N@IhC80 NHC","Lu3N@IhC80 NHC","","- C219 H72 Lu6 N6 O0 S10 -","- C219 H72 Lu5.999 N6 S10 -","- C219 H72 Lu5.999 N6 S10 -","1","0.5","","Chen, Muqing; Shen, Wangqiang; Peng, Ping; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Jin, Peng; Fang, Hongyun; Li, Fang-Fang; Lu, Xing","Evidence of Oxygen Activation in the Reaction between an N-Heterocyclic Carbene and M3N@Ih(7)-C80: An Unexpected Method of Steric Hindrance Release.","The Journal of organic chemistry","2017","82","7","3500","3505","10.1021/acs.joc.6b03004","","","0.71069","MoKα","","0.0681","0.0529","","","0.1301","0.1395","","","","","","1.091","","","","has coordinates,has disorder","196155","2020-10-21","18:00:00",""
"4032395","8.6678","0.0017","19.551","0.003","9.4202","0.0017","90","","111.01","0.003","90","","1490.3","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O4 -","- C17 H20 O4 -","- C68 H80 O16 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0499","0.0417","","","0.1106","0.1156","","","","","","1.053","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032396","17.481","0.006","7.27","0.002","14.959","0.004","90","","114.17","0.005","90","","1734.4","0.9","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O6 -","- C19 H24 O6 -","- C76 H96 O24 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0565","0.0416","","","0.1036","0.112","","","","","","1.026","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032397","6.9484","0.0011","9.974","0.0015","11.9674","0.0018","80.017","0.006","86.243","0.008","86.393","0.008","813.9","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O5 -","- C18 H22 O5 -","- C36 H44 O10 -","2","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.044","0.0388","","","0.1076","0.1114","","","","","","1.122","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032398","14.243","0.003","8.5982","0.0019","12.723","0.003","90","","105.996","0.003","90","","1497.8","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 Cl O4 -","- C16 H19 Cl O4 -","- C64 H76 Cl4 O16 -","4","1","","Cooper, Dennis A.; Robbins, Emma; Tizzard, Graham J.; Coles, Simon J.; O'Brien, Matthew","Furanyl Cyclic Ethers: Single and Double Diastereoselectivity in the Synthesis of 2,4-Di and 2,4,5-Trisubstituted Tetrahydropyrans.","The Journal of organic chemistry","2017","82","7","3441","3455","10.1021/acs.joc.6b02831","","x-ray","0.71075","MoKα","","0.0539","0.0438","","","0.1167","0.1238","","","","","","1.041","","","","has coordinates","196150","2020-10-21","18:00:00",""
"4032399","5.212","0.0004","7.438","0.0005","14.3549","0.0009","80.834","0.006","85.227","0.006","74.865","0.006","529.83","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H12 F2 O3 -","- C12 H12 F2 O3 -","- C24 H24 F4 O6 -","2","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0625","0.0593","","","0.1636","0.1691","","","","","","1.088","","","","has coordinates,has disorder","196154","2020-10-21","18:00:00",""
"4032400","9.8445","0.0004","6.9522","0.0003","30.4659","0.0012","90","","90","","90","","2085.11","0.15","120","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C96 H128 O24 -","8","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71075","MolybdenumKα","","0.0342","0.0331","","","0.0835","0.0844","","","","","","1.065","","","","has coordinates","196154","2020-10-21","18:00:00",""
"4032401","7.2069","0.0004","7.742","0.0003","9.5826","0.0004","80.466","0.004","79.403","0.004","77.127","0.004","507.99","0.04","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H16 N2 O3 -","- C10 H16 N2 O3 -","- C20 H32 N4 O6 -","2","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71075","MolybdenumKα","","0.0455","0.0409","","","0.0995","0.1027","","","","","","1.035","","","","has coordinates","196154","2020-10-21","18:00:00",""
"4032402","4.5638","0.001","7.0494","0.0016","15.476","0.004","95.825","0.005","95.748","0.005","99.306","0.006","485.3","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O2 S -","- C10 H8 N2 O2 S -","- C20 H16 N4 O4 S2 -","2","1","","McCaw, Patrick G.; Buckley, Naomi M.; Eccles, Kevin S.; Lawrence, Simon E.; Maguire, Anita R.; Collins, Stuart G.","Synthesis of Cyclic α-Diazo-β-keto Sulfoxides in Batch and Continuous Flow.","The Journal of organic chemistry","2017","82","7","3666","3679","10.1021/acs.joc.7b00172","","","0.71073","MoKα","","0.046","0.0386","","","0.1063","0.1131","","","","","","1.043","","","","has coordinates","196149","2020-10-21","18:00:00",""
"4032403","6.1447","0.0009","15.0655","0.0019","17.331","0.002","90","","97.341","0.011","90","","1591.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 N2 S -","- C21 H14 N2 S -","- C84 H56 N8 S4 -","4","1","","Shen, Guodong; Yang, Bingchuan; Huang, Xianqiang; Hou, Yaxin; Gao, Huan; Cui, Jichun; Cui, Chuansheng; Zhang, Tongxin","Copper- and Palladium-Catalyzed Cross-Coupling Reactions for the Synthesis of N-Fused Benzo[4,5]imidazo[2,1-b]thiazole Derivatives via Substituted trans-1,2-Diiodoalkenes, 1H-Benzo[d]imidazole-2-thiols, and Halobenzenes.","The Journal of organic chemistry","2017","82","7","3798","3805","10.1021/acs.joc.7b00162","","","0.71073","MoKα","","0.1545","0.0642","","","0.1535","0.2217","","","","","","0.955","","","","has coordinates","196151","2020-10-21","18:00:00",""
"4032404","14.0787","0.0013","16.1044","0.0014","14.3694","0.0012","90","","94.455","0.001","90","","3248.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H35 Br N2 O7 -","- C35 H35 Br N2 O7 -","- C140 H140 Br4 N8 O28 -","4","1","","Wang, Lu; Shi, Li-Xia; Liu, Lu; Li, Zhuo-Xuan; Xu, Ting; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched Oxazolo[5,4-b]indoles via Catalyst-Free Multicomponent Bicyclizations.","The Journal of organic chemistry","2017","82","7","3605","3611","10.1021/acs.joc.7b00129","","","0.71073","MoKα","","0.1438","0.0563","","","0.1219","0.1617","","","","","","1.018","","","","has coordinates","196153","2020-10-21","18:00:00",""
"4032406","9.1195","0.0006","27.0857","0.0019","8.3832","0.0006","90","","101.196","0.002","90","","2031.3","0.2","100","2","100","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C22 H17 N3 O5 S2 -","- C22 H17 N3 O5 S2 -","- C88 H68 N12 O20 S8 -","4","1","","Das, Debapratim; Poddar, Puja; Maity, Saurabh; Samanta, Rajarshi","Rhodium(III)-Catalyzed C6-Selective Arylation of 2-Pyridones and Related Heterocycles Using Quinone Diazides: Syntheses of Heteroarylated Phenols.","The Journal of organic chemistry","2017","82","7","3612","3621","10.1021/acs.joc.7b00135","","","0.71073","MoKα","","0.0574","0.0415","","","0.1037","0.1125","","","","","","1.046","","","","has coordinates","196158","2020-10-21","18:00:00",""
"4032408","11.8","0.002","12.63","0.003","13.63","0.003","68.074","0.006","70.491","0.006","81.465","0.006","1775.6","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H32 Br2 N4 O6 -","- C28 H32 Br2 N4 O6 -","- C56 H64 Br4 N8 O12 -","2","1","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.0667","0.0487","","","0.1312","0.1378","","","","","","1.08","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032409","11.313","0.003","11.4","0.003","16.467","0.005","99.471","0.011","95.525","0.012","114.446","0.011","1874.8","0.9","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H42 N4 O6 -","- C40 H42 N4 O6 -","- C80 H84 N8 O12 -","2","1","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.0534","0.0431","","","0.1159","0.1245","","","","","","1.078","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032410","8.5909","0.0006","9.3471","0.0007","16.4167","0.0014","74.516","0.005","85.903","0.005","66.308","0.004","1162.38","0.16","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C60 H48 N4 O8 -","- C60 H48 N4 O8 -","- C60 H48 N4 O8 -","1","0.5","","Wang, Chao-Ming; Xia, Peng-Ju; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Photoredox-Catalyzed Reductive Dimerization of Isatins and Isatin-Derived Ketimines: Diastereoselective Construction of 3,3'-Disubstituted Bisoxindoles.","The Journal of organic chemistry","2017","82","7","3895","3900","10.1021/acs.joc.6b03056","","","0.71073","MoKα","","0.1125","0.0967","","","0.2435","0.2582","","","","","","1.007","","","","has coordinates","196147","2020-10-21","18:00:00",""
"4032411","12.2622","0.001","16.123","0.0014","10.5218","0.0008","90","","97.12","0.008","90","","2064.2","0.3","293","2","293","2","","","","","","","synthesis","3","P 1 21/c 1","-P 2ybc","14","","unk","","- C23 H22 O6 -","- C23 H22 O6 -","- C92 H88 O24 -","4","1","","Mondal, Keshab; Pan, Subhas Chandra","Synthesis of 2,5-Disubstituted Furans from Sc(OTf)3 Catalyzed Reaction of Aryl Oxiranediesters with γ-Hydroxyenones.","The Journal of organic chemistry","2017","82","8","4415","4421","10.1021/acs.joc.7b00133","","x-ray","0.71073","MoKα","","0.1038","0.0587","","","0.1353","0.1671","","","","","","1.056","","","","has coordinates","196145","2020-10-21","18:00:00",""
"4032415","6.442","0.0001","7.5921","0.0001","21.9422","0.0003","90","","90","","90","","1073.16","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0364","0.0351","","0.0638","0.0629","0.0638","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032416","15.7767","0.0002","9.4629","0.0001","16.1402","0.0002","90","","91.7342","0.0013","90","","2408.52","0.05","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C120 H104 N8 O24 -","8","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","0.71073","MoKα","","0.0466","0.0389","","0.0767","0.0687","0.0767","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032417","11.4714","0.0017","5.613","0.0006","16.915","0.002","90","","95.648","0.012","90","","1083.9","0.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0698","0.0577","","0.1638","0.1506","0.1638","","","","","","0.9998","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032418","14.6135","0.0002","5.8504","0.0001","14.6942","0.0002","90","","96.2796","0.0015","90","","1248.74","0.03","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.037","0.036","","0.0977","0.0964","0.0977","","","","","","1","","","","has coordinates","196142","2020-10-21","18:00:00",""
"4032419","12.3613","0.0002","13.2672","0.0002","17.5612","0.0003","87.226","0.001","80.444","0.001","73.165","0.001","2718.35","0.08","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C64 H56 Cl5 N3 Pd -","- C64 H56 Cl5 N3 Pd -","- C128 H112 Cl10 N6 Pd2 -","2","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.1262","0.0586","","","0.1202","0.1463","","","","","","0.996","","","","has coordinates","194755","2020-10-21","18:00:00",""
"4032420","13.21","0.0011","26.743","0.002","31.09","0.002","90","","96.562","0.005","90","","10911.4","1.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C255 H226 Cl14 N12 Pd4 -","- C255 H226 Cl14 N12 Pd4 -","- C510 H452 Cl28 N24 Pd8 -","2","0.5","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.184","0.0971","","","0.2473","0.311","","","","","","1.028","","","","has coordinates","194755","2020-10-21","18:00:00",""
"4032421","12.3395","0.0002","13.3565","0.0002","17.8538","0.0003","86.124","0.001","80.077","0.001","72.969","0.001","2770.94","0.08","150","0.1","150","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C64 H56 Cl5 N3 O Pd -","- C64 H56 Cl5 N3 O Pd -","- C128 H112 Cl10 N6 O2 Pd2 -","2","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.0497","0.0421","","","0.1123","0.1201","","","","","","1.019","","","","has coordinates,has disorder","194755","2020-10-21","18:00:00",""
"4032422","19.631","0.0015","12.8061","0.001","23.818","0.002","90","","96.512","0.005","90","","5949.1","0.8","296","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C63.88 H56.76 Cl3.76 N3 O4 Pd -","- C63.882 H56.764 Cl3.764 N3 O4 Pd -","- C255.528 H227.056 Cl15.056 N12 O16 Pd4 -","4","1","","Lan, Xiao-Bing; Li, Yinwu; Li, Yan-Fang; Shen, Dong-Sheng; Ke, Zhuofeng; Liu, Feng-Shou","Flexible Steric Bulky Bis(Imino)acenaphthene (BIAN)-Supported N-Heterocyclic Carbene Palladium Precatalysts: Catalytic Application in Buchwald-Hartwig Amination in Air.","The Journal of organic chemistry","2017","82","6","2914","2925","10.1021/acs.joc.6b02867","","","0.71073","MoKα","","0.1078","0.0584","","","0.1492","0.179","","","","","","1.016","","","","has coordinates,has disorder","194755","2020-10-21","18:00:00",""
"4032423","53.153","0.006","5.7648","0.0006","26.264","0.003","90","","116.484","0.003","90","","7203.2","1.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H19 F O2 -","- C24 H19 F O2 -","- C384 H304 F16 O32 -","16","2","","Chan, Chieh-Kai; Chen, Yu-Hsin; Tsai, Yu-Lin; Chang, Meng-Yang","Synthesis of Substituted 1,6-Diarylnaphthalenes via a Tandem Claisen Rearrangement and Ene Reaction Protocol.","The Journal of organic chemistry","2017","82","6","3317","3326","10.1021/acs.joc.7b00108","","","0.71073","MoKα","","0.0659","0.0414","","","0.088","0.0996","","","","","","1.025","","","","has coordinates","194756","2020-10-21","18:00:00",""
"4032424","9.6023","0.0008","11.2451","0.0009","19.0201","0.0015","90","","90","","90","","2053.8","0.3","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 N O4 -","- C23 H25 N O4 -","- C92 H100 N4 O16 -","4","1","","Zhu, Meina; Chen, Jingchao; He, Xiaobo; Gu, Cuiping; Xu, Jianbin; Fan, Baomin","Iridium-Catalyzed Anti-Stereoselective Asymmetric Ring-Opening Reactions of Azabenzonorbornadienes with Carboxylic Acids.","The Journal of organic chemistry","2017","82","6","3167","3172","10.1021/acs.joc.7b00178","","","1.54178","CuKα","","0.0459","0.0458","","","0.1287","0.1289","","","","","","1.057","","","","has coordinates","194757","2020-10-21","18:00:00",""
"4032425","4.438","0.004","10.21","0.01","15.7","0.02","100.87","0.06","95.25","0.05","93.71","0.03","693.3","1.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","3-METHYL-1-PHENYL-[1,3]DIOXOLO[4,5,6,7]CHROMENO[2,3-c]PYRAZOL-4(1H)-ONE","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C36 H24 N4 O8 -","2","1","","Obulesu, Owk; Babu, K. Harish; Nanubolu, Jagadeesh Babu; Suresh, Surisetti","Copper-Catalyzed Tandem O-Arylation-Oxidative Cross Coupling: Synthesis of Chromone Fused Pyrazoles.","The Journal of organic chemistry","2017","82","6","2926","2934","10.1021/acs.joc.6b02890","","","0.71073","MoKα","","0.0524","0.0387","","","0.0946","0.1026","","","","","","1.071","","","","has coordinates","194758","2020-10-21","18:00:00",""
"4032428","10.0324","0.0009","17.4049","0.0012","10.1453","0.0006","90","","101.401","0.007","90","","1736.5","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N5 O2 S2 -","- C15 H19 N5 O2 S2 -","- C60 H76 N20 O8 S8 -","4","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Galata, Kristina A.; Beryozkina, Tetyana V.; Novikov, Mikhail S.; Berseneva, Vera S.; Eltsov, Oleg S.; Lebedev, Albert T.; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Switchable Synthesis of 4,5-Functionalized 1,2,3-Thiadiazoles and 1,2,3-Triazoles from 2-Cyanothioacetamides under Diazo Group Transfer Conditions.","The Journal of organic chemistry","2017","82","8","4056","4071","10.1021/acs.joc.6b02736","","","0.71073","MoKα","","0.0796","0.0389","","","0.0875","0.0927","","","","","","1.012","","","","has coordinates","196141","2020-10-21","18:00:00",""
"4032429","11.449","0.003","9.3485","0.0001","17.637","0.003","90","","108.7","0.004","90","","1788.1","0.6","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C7 H8 N4 O S -","- C7 H8 N4 O S -","- C56 H64 N32 O8 S8 -","8","1","","Filimonov, Valeriy O.; Dianova, Lidia N.; Galata, Kristina A.; Beryozkina, Tetyana V.; Novikov, Mikhail S.; Berseneva, Vera S.; Eltsov, Oleg S.; Lebedev, Albert T.; Slepukhin, Pavel A.; Bakulev, Vasiliy A.","Switchable Synthesis of 4,5-Functionalized 1,2,3-Thiadiazoles and 1,2,3-Triazoles from 2-Cyanothioacetamides under Diazo Group Transfer Conditions.","The Journal of organic chemistry","2017","82","8","4056","4071","10.1021/acs.joc.6b02736","","","0.71073","MoKα","","0.0692","0.0366","","","0.0861","0.0901","","","","","","1","","","","has coordinates","196141","2020-10-21","18:00:00",""
"4032430","25.518","0.001","8.0088","0.0003","23.3552","0.0009","90","","93.9449","0.0012","90","","4761.8","0.3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","C32H26O4","","","- C32 H26 O4 -","- C32 H26 O4 -","- C256 H208 O32 -","8","1","","Farajidizaji, Behzad; Huang, Changfeng; Thakellapalli, Haresh; Li, Shuangjiang; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and Characterization of Functionalized [12]Cycloparaphenylenes Containing Four Alternating Biphenyl and Naphthyl Units.","The Journal of organic chemistry","2017","82","8","4458","4464","10.1021/acs.joc.7b00397","","","0.71073","MoKα","","0.0503","0.0425","","","0.1099","0.1187","","","","","","1.028","","","","has coordinates","196139","2020-10-21","18:00:00",""
"4032432","10.4901","0.0013","10.6393","0.0012","26.13","0.004","90","","90","","90","","2916.3","0.7","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","2-(4-Cyano-2,3,5,6-tetrafluorophenyl)-4,4,5,5-tetramethyl- 4,5-dihydro-1H-imidazol-3-oxide-1-oxyle","","- C14 H12 F4 N3 O2 -","- C14 H12 F4 N3 O2 -","- C112 H96 F32 N24 O16 -","8","0.5","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.1087","0.0654","","","0.1415","0.1699","","","","","","1.09","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032433","10.3528","0.0003","10.8047","0.0003","26.1688","0.0006","90","","90","","90","","2927.21","0.14","296","2","296","2","","","","","","","","5","I b c a","-I 2b 2c","73","","4-(4,4,5,5-Tetramethyl-1-oxyl-4,5-dihydro-1H-imidazol-2-yl)- 2,3,5,6-tetrafluorobenzonitrile","","- C14 H12 F4 N3 O -","- C14 H12 F4 N3 O -","- C112 H96 F32 N24 O8 -","8","0.5","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.0773","0.0565","","","0.1364","0.1687","","","","","","1.032","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032434","10.0863","0.0006","12.4846","0.0007","13.1297","0.0007","76.259","0.002","78.474","0.002","87.054","0.002","1573.62","0.15","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","4-((di(4,4,5,5-tetramethyl-4,5-dihydro-1H-imidazol-3-oxide-1-oxyle-yl) (perfluorophenyl)methyl)amino)-2,3,5,6-tetrafluoro-benzonitrile","","- C28 H24 F9 N6 O4 -","- C28 H24 F9 N6 O4 -","- C56 H48 F18 N12 O8 -","2","1","","Tretyakov, Evgeny V.; Fedyushin, Pavel A.; Panteleeva, Elena V.; Stass, Dmitri V.; Bagryanskaya, Irina Yu; Beregovaya, Irina V.; Bogomyakov, Artem S.","Substitution of a Fluorine Atom in Perfluorobenzonitrile by a Lithiated Nitronyl Nitroxide.","The Journal of organic chemistry","2017","82","8","4179","4185","10.1021/acs.joc.7b00144","","","0.71073","MoKα","","0.1234","0.0665","","","0.1749","0.2495","","","","","","1.235","","","","has coordinates","196144","2020-10-21","18:00:00",""
"4032435","11.2235","0.0002","12.7822","0.0003","13.1058","0.0003","62.549","0.001","83.916","0.001","87.437","0.001","1659.06","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 Br2 N3 O -","- C40 H33 Br2 N3 O -","- C80 H66 Br4 N6 O2 -","2","1","","Zhu, Guodong; Liu, Siyuan; Wu, Shiqi; Peng, Lianghong; Qu, Jingping; Wang, Baomin","Assembly of Indolenines, 3-Amino Oxindoles, and Aldehydes into Indolenine-Substituted Spiro[pyrrolidin-2,3'-oxindoles] via 1,3-Dipolar Cycloaddition with Divergent Diastereoselectivities.","The Journal of organic chemistry","2017","82","8","4317","4327","10.1021/acs.joc.7b00316","","","0.71073","MoKα","","0.0568","0.0391","","","0.1211","0.1311","","","","","","0.93","","","","has coordinates","196140","2020-10-21","18:00:00",""
"4032437","14.5573","0.0009","9.7534","0.0006","22.1777","0.0015","90","","90.462","0.002","90","","3148.8","0.3","100","1","100","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H41 N9 O6 -","- C32 H41 N9 O6 -","- C128 H164 N36 O24 -","4","1","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0706","0.0494","","","0.1316","0.1473","","","","","","1.024","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032438","23.3708","0.0009","14.0581","0.0006","16.9479","0.0007","90","","93.186","0.002","90","","5559.6","0.4","100","1","100","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H37.66 N9 O4.66 -","- C24 H35 N9 O4.6645 -","- C192 H280 N72 O37.316 -","8","2","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0569","0.0397","","","0.0896","0.0986","","","","","","1.052","","","","has coordinates,has disorder","196143","2020-10-21","18:00:00",""
"4032439","10.6223","0.0005","11.869","0.0006","16.7855","0.0007","90","","104.442","0.002","90","","2049.38","0.17","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H57 N13 O9 -","- C34 H57 N13 O9 -","- C68 H114 N26 O18 -","2","1","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0568","0.0425","","","0.1061","0.1147","","","","","","1.023","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032440","14.2403","0.0003","14.2403","0.0003","32.6696","0.0009","90","","90","","120","","5737.4","0.2","200","1","200","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C39 H39 N9 O3 -","- C39 H39 N9 O3 -","- C234 H234 N54 O18 -","6","0.333333","","Adam, Abdulselam; Haberhauer, Gebhard; Wölper, Christoph","Bio-inspired Herringbone Foldamers: Strategy for Changing the Structure of Helices.","The Journal of organic chemistry","2017","82","8","4203","4215","10.1021/acs.joc.7b00185","","","0.71073","MoKα","","0.0672","0.0477","","","0.1245","0.1321","","","","","","1.034","","","","has coordinates","196143","2020-10-21","18:00:00",""
"4032441","10.5904","0.0004","6.8559","0.0003","12.0499","0.0004","90","","109.077","0.002","90","","826.85","0.06","102","2","102","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C40 H46 N2 O8 -","2","1","","Hrdina, Radim; Larrosa, Marta; Logemann, Christian","Triflic Acid Promoted Decarboxylation of Adamantane-oxazolidine-2-one: Access to Chiral Amines and Heterocycles.","The Journal of organic chemistry","2017","82","9","4891","4899","10.1021/acs.joc.7b00711","","","0.71073","MoKα","","0.0485","0.0383","","","0.0892","0.0927","","","","","","1.039","","","","has coordinates","197463","2020-10-21","18:00:00",""
"4032444","6.9573","0.0007","13.1585","0.0013","13.8579","0.0014","90","","90","","90","","1268.7","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","3ak","","- C15 H11 N O2 S -","- C15 H11 N O2 S -","- C60 H44 N4 O8 S4 -","4","1","","Simlandy, Amit Kumar; Mukherjee, Santanu","Catalytic Enantioselective Synthesis of 3,4-Unsubstituted Thiochromenes through Sulfa-Michael/Julia-Kocienski Olefination Cascade Reaction.","The Journal of organic chemistry","2017","82","9","4851","4858","10.1021/acs.joc.7b00579","","x-ray","0.71073","MoKα","","0.0554","0.0488","","","0.1274","0.1326","","","","","","1.036","","","","has coordinates","197462","2020-10-21","18:00:00",""
"4032445","10.9331","0.0002","10.9331","0.0002","54.663","0.001","90","","90","","90","","6534","0.2","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C38 H53 N O4 -","- C38 H53 N O4 -","- C304 H424 N8 O32 -","8","1","","Ortiz, Adrian; Soumeillant, Maxime; Savage, Scott A.; Strotman, Neil A.; Haley, Matthew; Benkovics, Tamas; Nye, Jeffrey; Xu, Zhongmin; Tan, Yichen; Ayers, Sloan; Gao, Qi; Kiau, Susanne","Synthesis of HIV-Maturation Inhibitor BMS-955176 from Betulin by an Enabling Oxidation Strategy.","The Journal of organic chemistry","2017","82","9","4958","4963","10.1021/acs.joc.7b00438","","","1.54178","CuKα","","0.0376","0.0329","","","0.0902","0.0953","","","","","","1.124","","","","has coordinates,has disorder","197464","2020-10-21","18:00:00",""
"4032446","7.2203","0.0002","12.1227","0.0004","37.8288","0.0013","90","","90","","90","","3311.14","0.18","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C38 H51 N O3 -","- C38 H51 N O3 -","- C152 H204 N4 O12 -","4","1","","Ortiz, Adrian; Soumeillant, Maxime; Savage, Scott A.; Strotman, Neil A.; Haley, Matthew; Benkovics, Tamas; Nye, Jeffrey; Xu, Zhongmin; Tan, Yichen; Ayers, Sloan; Gao, Qi; Kiau, Susanne","Synthesis of HIV-Maturation Inhibitor BMS-955176 from Betulin by an Enabling Oxidation Strategy.","The Journal of organic chemistry","2017","82","9","4958","4963","10.1021/acs.joc.7b00438","","","1.54178","CuKα","","0.0399","0.038","","","0.1075","0.1144","","","","","","1.074","","","","has coordinates","197464","2020-10-21","18:00:00",""
"4032449","14.3911","0.0014","10.3957","0.001","18.5711","0.0014","90","","119.604","0.005","90","","2415.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S -","- C29 H24 N2 O3 S -","- C116 H96 N8 O12 S4 -","4","1","","Liu, Wei; Du, Shan-Tao; Wang, Shu-Yue; Liao, Wei-Wei","Controllable Diastereodivergent Synthesis of Pyrrolo[2,1-a]isoquinolines via Catalytic Intramolecular Acylsulfenylation of Activated Alkenes.","The Journal of organic chemistry","2017","82","9","4829","4839","10.1021/acs.joc.7b00551","","","0.71073","MoKα","","0.0842","0.0485","","","0.1191","0.1439","","","","","","0.954","","","","has coordinates","197465","2020-10-21","18:00:00",""
"4032451","8.465","0.002","11.17","0.003","11.577","0.005","108.342","0.007","104.039","0.008","106.454","0.005","928","0.5","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 Br O6 -","- C18 H19 Br O6 -","- C36 H38 Br2 O12 -","2","1","","Min, Junxiang; Xu, Guangyang; Sun, Jiangtao","Synthesis of Six-Membered Carbo-/Heterocycles via Cascade Reaction of Alkynes and Diazo Compounds.","The Journal of organic chemistry","2017","82","10","5492","5498","10.1021/acs.joc.7b00758","","","0.71073","MoKα","","0.0812","0.0562","","","0.1799","0.21","","","","","","1.016","","","","has coordinates","197458","2020-10-21","18:00:00",""
"4032452","27.9369","0.0005","20.0666","0.0004","20.6827","0.0004","90","","90","","90","","11594.7","0.4","295","2","295","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C50 H28 F6 O2 -","- C50 H28 F6 O2 -","- C600 H336 F72 O24 -","12","1.5","","Tseng, Ting; Lu, Hsiu-Feng; Kao, Chen-Yi; Chiu, Chun-Wei; Chao, Ito; Prabhakar, Chetti; Yang, Jye-Shane","Redox-Gated Tristable Molecular Brakes of Geared Rotation.","The Journal of organic chemistry","2017","82","10","5354","5366","10.1021/acs.joc.7b00729","","","1.54178","CuKα","","0.1026","0.0703","","","0.189","0.2221","","","","","","1.066","","","","has coordinates","197456","2020-10-21","18:00:00",""
"4032454","6.2409","0.00005","50.3641","0.0003","8.2566","0.00006","90","","103.276","0.0007","90","","2525.83","0.03","150","0.1","150","0.1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H31 Cl2 N O5 Si -","- C23 H31 Cl2 N O5 Si -","- C92 H124 Cl8 N4 O20 Si4 -","4","1","","Ma, Xiang; Gao, Nadia; Banwell, Martin G.; Carr, Paul D.; Willis, Anthony C.","A Total Synthesis of (±)-3-O-Demethylmacronine through Rearrangement of a Precursor Embodying the Haemanthidine Alkaloid Framework.","The Journal of organic chemistry","2017","82","8","4336","4341","10.1021/acs.joc.7b00340","","x-ray","1.54184","CuKα","","0.0528","0.0505","","","0.1272","0.1292","","","","","","1.051","","","","has coordinates,has disorder","196015","2020-10-21","18:00:00",""
"4032455","10.6995","0.0004","15.0959","0.0006","34.2987","0.0013","90","","90","","90","","5539.9","0.4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H28 Br2 O2 -","- C36 H28 Br2 O2 -","- C288 H224 Br16 O16 -","8","1","","Farajidizaji, Behzad; Huang, Changfeng; Thakellapalli, Haresh; Li, Shuangjiang; Akhmedov, Novruz G.; Popp, Brian V.; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis and Characterization of Functionalized [12]Cycloparaphenylenes Containing Four Alternating Biphenyl and Naphthyl Units.","The Journal of organic chemistry","2017","82","8","4458","4464","10.1021/acs.joc.7b00397","","","0.71073","MoKα","","0.0399","0.0327","","","0.0781","0.0813","","","","","","1.068","","","","has coordinates","196016","2020-10-21","18:00:00",""
"4032456","9.9514","0.0002","12.1514","0.0003","16.6468","0.0003","109.612","0.001","93.845","0.001","106.074","0.001","1793.39","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H43 N3 O3 -","- C44 H43 N3 O3 -","- C88 H86 N6 O6 -","2","1","","Zhu, Guodong; Liu, Siyuan; Wu, Shiqi; Peng, Lianghong; Qu, Jingping; Wang, Baomin","Assembly of Indolenines, 3-Amino Oxindoles, and Aldehydes into Indolenine-Substituted Spiro[pyrrolidin-2,3'-oxindoles] via 1,3-Dipolar Cycloaddition with Divergent Diastereoselectivities.","The Journal of organic chemistry","2017","82","8","4317","4327","10.1021/acs.joc.7b00316","","","0.71073","MoKα","","0.059","0.0504","","","0.1354","0.1425","","","","","","1.082","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4032457","5.844","0.0001","9.814","0.0001","14.4195","0.0001","90","","90","","90","","827.002","0.017","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","1.54184","CuKα","","0.0267","0.0267","","0.0726","0.0725","0.0726","","","","","","1.0001","","","","has coordinates","196018","2020-10-21","18:00:00",""
"4032458","12.1155","0.0007","3.9036","0.0002","18.1199","0.0013","90","","107.25","0.007","90","","818.42","0.09","150","","150","","","","","","","","local","3","I 1 a 1","I -2ya","9","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","x-ray","1.54184","CuKα","","0.0422","0.042","","0.107","0.107","0.107","","","","","","1.0464","","","","has coordinates","196019","2020-10-21","18:00:00",""
"4032459","9.5865","0.0002","13.2423","0.0004","15.168","0.0004","90","","90","","90","","1925.54","0.09","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","0.71073","MoKα","","0.0389","0.0317","","0.0752","0.0614","0.0733","","","","","","1","","","","has coordinates","196020","2020-10-21","18:00:00",""
"4032460","11.1814","0.0002","5.53776","0.00008","13.4546","0.0002","90","","96.2939","0.0015","90","","828.09","0.02","150","","150","","","","","","","","local","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","x-ray","1.54184","CuKα","","0.0381","0.0349","","0.0888","0.0857","0.0888","","","","","","0.9968","","","","has coordinates","196021","2020-10-21","18:00:00",""
"4032461","10.971","0.003","9.801","0.002","24.597","0.005","90","","95.854","0.014","90","","2631","1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Benzoxazinone","'Pentafluoro benzoxazinone'","","- C15 H8 F5 N O2 -","- C15 H8 F5 N O2 -","- C120 H64 F40 N8 O16 -","8","2","","Patel, Ketan; Deshmukh, Satej S.; Bodkhe, Dnyaneshwar; Mane, Manoj; Vanka, Kumar; Shinde, Dinesh; Rajamohanan, Pattuparambil R.; Nandi, Shyamapada; Vaidhyanathan, Ramanathan; Chikkali, Samir H.","Secondary Interactions Arrest the Hemiaminal Intermediate To Invert the Modus Operandi of Schiff Base Reaction: A Route to Benzoxazinones.","The Journal of organic chemistry","2017","82","8","4342","4351","10.1021/acs.joc.7b00352","","","1.54178","CuKα","","0.1305","0.0802","","","0.1675","0.1936","","","","","","1.052","","","","has coordinates","196022","2020-10-21","18:00:00",""
"4032462","20.399","0.0008","5.7846","0.0002","7.8899","0.0003","90","","98.458","0.004","90","","920.88","0.06","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N -","- C13 H11 N -","- C52 H44 N4 -","4","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0586","0.0565","","0.0962","0.0956","0.0962","","","","","","1","","","","has coordinates","196023","2020-10-21","18:00:00",""
"4032463","21.5986","0.0004","6.8991","0.00011","17.6362","0.0003","90","","104.596","0.002","90","","2543.17","0.08","150.01","0.1","150.01","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","2","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","x-ray","1.54184","CuKα","","0.0871","0.0842","","","0.2124","0.2142","","","","","","1.122","","","","has coordinates,has disorder","196024","2020-10-21","18:00:00",""
"4032464","7.1367","0.0001","13.239","0.0001","22.5108","0.0002","90","","90","","90","","2126.88","0.04","150","","150","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N O2 -","- C14 H11 N O2 -","- C112 H88 N8 O16 -","8","1","","Yan, Qiao; Gin, Emma; Wasinska-Kalwa, Malgorzata; Banwell, Martin G.; Carr, Paul D.","A Palladium-Catalyzed Ullmann Cross-Coupling/Reductive Cyclization Route to the Carbazole Natural Products 3-Methyl-9H-carbazole, Glycoborine, Glycozoline, Clauszoline K, Mukonine, and Karapinchamine A.","The Journal of organic chemistry","2017","82","8","4148","4159","10.1021/acs.joc.7b00044","","","1.54184","CuKα","","0.0338","0.0332","","0.0578","0.0576","0.0578","","","","","","1","","","","has coordinates","196025","2020-10-21","18:00:00",""
"4032465","9.654","0.003","10.951","0.003","13.265","0.004","77.526","0.003","70.388","0.004","79.507","0.004","1280.7","0.7","293","2","296.15","","","","","","","","","6","P -1","-P 1","2","","","","- C29 H23 Br F2 N O3 -","- C29 H23 Br F2 N O3 -","- C58 H46 Br2 F4 N2 O6 -","2","1","","Huang, Honggui; Li, Yi","Sustainable Difluoroalkylation Cyclization Cascades of 1,8-Enynes.","The Journal of organic chemistry","2017","82","8","4449","4457","10.1021/acs.joc.7b00350","","","0.71073","MoKα","","0.0962","0.0634","","","0.1604","0.189","","","","","","1.021","","","","has coordinates","196026","2020-10-21","18:00:00",""
"4032466","8.0463","0.0002","11.0031","0.0003","22.3913","0.0005","90","","90","","90","","1982.4","0.09","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(6R,9R)-9-((triisopropylsilyl)oxy)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-6-ol","","- C19 H33 N O2 Si -","- C19 H33 N O2 Si -","- C76 H132 N4 O8 Si4 -","4","1","","Luo, Guanglin; Chen, Ling; Conway, Charles M.; Kostich, Walter; Johnson, Benjamin M.; Ng, Alicia; Macor, John E.; Dubowchik, Gene M.","Asymmetric Synthesis of the Major Metabolite of a Calcitonin Gene-Related Peptide Receptor Antagonist and Mechanism of Epoxide Hydrogenolysis.","The Journal of organic chemistry","2017","82","7","3710","3720","10.1021/acs.joc.7b00052","","","1.54178","CuKα","","0.0375","0.0362","","","0.1144","0.1163","","","","","","0.989","","","","has coordinates","196027","2020-10-21","18:00:00",""
"4032467","12.9896","0.0014","4.9301","0.0005","38.715","0.004","90","","96.427","0.006","90","","2463.7","0.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 F3 N O2 -","- C15 H10 F3 N O2 -","- C120 H80 F24 N8 O16 -","8","2","","Liang, Dongdong; Yu, Wenbo; Nguyen, Nam; Deschamps, Jeffrey R.; Imler, Gregory H.; Li, Yue; MacKerell, Jr, Alexander D; Jiang, Chao; Xue, Fengtian","Iodobenzene-Catalyzed Synthesis of Phenanthridinones via Oxidative C-H Amidation.","The Journal of organic chemistry","2017","82","7","3589","3596","10.1021/acs.joc.7b00106","","","1.54178","CuKα","","0.0612","0.05","","","0.1341","0.1424","","","","","","1.062","","","","has coordinates","196028","2020-10-21","18:00:00",""
"4032468","32.5385","0.0015","9.6703","0.0004","17.3689","0.0007","90","","120.546","0.003","90","","4706.8","0.4","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","S1493","","","- C30 H18 N O3 -","- C30 H18 N O3 -","- C240 H144 N8 O24 -","8","1","","Sharma, Satyasheel; Oh, Yongguk; Mishra, Neeraj Kumar; De, Umasankar; Jo, Hyeim; Sachan, Richa; Kim, Hyung Sik; Jung, Young Hoon; Kim, In Su","Rhodium-Catalyzed [3 + 2] Annulation of Cyclic N-Acyl Ketimines with Activated Olefins: Anticancer Activity of Spiroisoindolinones.","The Journal of organic chemistry","2017","82","7","3359","3367","10.1021/acs.joc.6b02708","","","0.71073","","","0.1135","0.1074","","","0.2811","0.2881","","","","","","1.041","","","","has coordinates","196029","2020-10-21","18:00:00",""
"4032469","11.9977","0.0014","12.188","0.0014","13.648","0.002","90","","93.308","0.002","90","","1992.4","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","N,N'-di(pyridin-2-yl)-6H,12H-dibenzo[b,f][1,5]dithiocine-6,12-diamine","","- C24 H16 N4 S2 -","- C24 H16 N4 S2 -","- C96 H64 N16 S8 -","4","0.5","","Gangireddy, Pavankumar; Patro, Vidyavathi; Lam, Leighann; Morimoto, Mariko; Liebeskind, Lanny S.","Mechanism of Acylative Oxidation-Reduction-Condensation Reactions Using Benzoisothiazolones as Oxidant and Triethylphosphite as Stoichiometric Reductant.","The Journal of organic chemistry","2017","82","7","3513","3529","10.1021/acs.joc.7b00020","","","0.71073","MoKα","","0.0644","0.0524","","","0.1336","0.141","","","","","","1.056","","","","has coordinates","196030","2020-10-21","18:00:00",""
"4032470","10.454","0.001","11.4769","0.0012","12.4781","0.0015","95.655","0.001","109.758","0.002","94.323","0.001","1392.6","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Cl N2 O5 -","- C32 H29 Cl N2 O5 -","- C64 H58 Cl2 N4 O10 -","2","1","","Wang, Lu; Shi, Li-Xia; Liu, Lu; Li, Zhuo-Xuan; Xu, Ting; Hao, Wen-Juan; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Synthesis of Diastereoenriched Oxazolo[5,4-b]indoles via Catalyst-Free Multicomponent Bicyclizations.","The Journal of organic chemistry","2017","82","7","3605","3611","10.1021/acs.joc.7b00129","","","0.71073","MoKα","","0.1464","0.069","","","0.1303","0.1515","","","","","","1.049","","","","has coordinates","196031","2020-10-21","18:00:00",""
"4032471","9.6577","0.0002","26.6774","0.0005","10.5938","0.0002","90","","109.914","0.002","90","","2566.21","0.09","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H42 O4 Si2 -","- C24 H42 O4 Si2 -","- C96 H168 O16 Si8 -","4","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0501","0.0462","","","0.1212","0.126","","","","","","1.061","","","","has coordinates","196032","2020-10-21","18:00:00",""
"4032472","12.5947","0.0002","6.7483","0.0001","14.1169","0.0003","90","","105.382","0.002","90","","1156.86","0.04","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Maier, Lukáš; Khirsariya, Prashant; Hylse, Ondřej; Adla, Santosh Kumar; Černová, Lenka; Poljak, Michal; Krajčovičová, Soňa; Weis, Erik; Drápela, Stanislav; Souček, Karel; Paruch, Kamil","Diastereoselective Flexible Synthesis of Carbocyclic C-Nucleosides.","The Journal of organic chemistry","2017","82","7","3382","3402","10.1021/acs.joc.6b02594","","","0.71073","MoKα","","0.0447","0.0425","","","0.1178","0.12","","","","","","1.044","","","","has coordinates","196033","2020-10-21","18:00:00",""
"4032473","7.6762","0.0006","10.2708","0.0009","12.3668","0.001","101.731","0.007","92.064","0.006","107.741","0.007","904.21","0.14","293","2","293.15","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O -","- C23 H20 N2 O -","- C46 H40 N4 O2 -","2","1","","Zhou, Xiaorong; Zhang, Zhiyin; Zhao, Hongyang; Lu, Ping; Wang, Yanguang","Rh-Catalyzed Annulations of N-Methoxybenzamides and Ketenimines: Sterically and Electronically Controlled Synthesis of Isoquinolinones and Isoindolinones.","The Journal of organic chemistry","2017","82","7","3787","3797","10.1021/acs.joc.7b00258","","","0.71073","MoKα","","0.0659","0.047","","","0.109","0.1242","","","","","","1.05","","","","has coordinates","196034","2020-10-21","18:00:00",""
"4032476","12.812","0.002","7.0885","0.0012","23.719","0.004","90","","90","","90","","2154.1","0.6","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H9 N3 S -","- C12 H9 N3 S -","- C96 H72 N24 S8 -","8","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.1035","0.0849","","","0.1797","0.1874","","","","","","1.349","","","","has coordinates","197459","2020-10-21","18:00:00",""
"4032477","10.3149","0.0012","6.163","0.0007","16.152","0.002","90","","105.452","0.015","90","","989.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O -","- C11 H9 N3 O -","- C44 H36 N12 O4 -","4","1","","Ding, Xiaomei; Huang, Manna; Yi, Zhou; Du, Dongchen; Zhu, Xinhai; Wan, Yiqian","Room-Temperature CuI-Catalyzed Amination of Aryl Iodides and Aryl Bromides.","The Journal of organic chemistry","2017","82","10","5416","5423","10.1021/acs.joc.7b00290","","","1.54178","CuKα","","0.0563","0.0436","","","0.1108","0.1219","","","","","","1.079","","","","has coordinates","197461","2020-10-21","18:00:00",""
"4032478","13.1943","0.0013","8.1217","0.0008","18.6026","0.0018","90","","107.453","0.003","90","","1901.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C96 H84 N4 O12 -","4","1","","Chandrasekhar, D. Balaji; Tsay, Shwu-Chen; Pradhan, Tapan K.; Hwu, Jih Ru","Syntheses of Chroman-2-ones and α-Amino Acids through a Diastereoselective Domino Reaction.","The Journal of organic chemistry","2017","82","11","5524","5537","10.1021/acs.joc.7b00260","","","0.71073","MoKα","","0.0519","0.038","","","0.0872","0.0945","","","","","","1.027","","","","has coordinates","197467","2020-10-21","18:00:00",""
"4032486","10.4971","0.0002","7.6333","0.0001","16.6642","0.0003","90","","93.33","0.001","90","","1333.01","0.04","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 N2 O3 -","- C16 H14 N2 O3 -","- C64 H56 N8 O12 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.54178","CuKα","","0.0348","0.0325","","","0.0886","0.0916","","","","","","1.051","","","","has coordinates","197455","2020-10-21","18:00:00",""
"4032487","12.6062","0.0008","15.8957","0.001","6.5668","0.0004","90","","99.593","0.003","90","","1297.48","0.14","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H12 N2 -","- C19 H12 N2 -","- C76 H48 N8 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.54178","CuKα","","0.0638","0.0505","","","0.13","0.1414","","","","","","1.067","","","","has coordinates","197455","2020-10-21","18:00:00",""
"4032490","8.624","0.0009","9.7739","0.0006","10.9703","0.0013","94.825","0.007","97.934","0.009","92.335","0.007","911.31","0.16","100","0.3","100","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C14 H16 Cl0.3 I2.62 N2 O -","- C14 H16 Cl0.3 I2.62 N2 O -","- C28 H32 Cl0.6 I5.24 N4 O2 -","2","1","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","0.71073","MoKα","","0.0577","0.0492","","","0.1246","0.1322","","","","","","1.089","","","","has coordinates,has disorder","197454","2020-10-21","18:00:00",""
"4032491","9.8611","0.0003","21.0117","0.0008","22.6116","0.001","68.296","0.004","78.859","0.003","84.254","0.003","4268.8","0.3","123.01","0.1","123.01","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 I5 N4 -","- C22 H23 I5 N4 -","- C132 H138 I30 N24 -","6","3","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","1.54184","CuKα","","0.0878","0.0562","","","0.1108","0.1271","","","","","","1.026","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4032493","19.0974","0.0009","19.0974","0.0009","8.3204","0.0004","90","","90","","90","","3034.5","0.2","100.02","","100.02","","","","","","","","","5","P -4 21 c","P -4 2n","114","","5,10,15,20-tetrakis((4-bromophenyl)thio)-2,3,7,8,12,13,17,18-octaethylporphyrin","","- C60 H58 Br4 N4 S4 -","- C60 H58 Br4 N4 S4 -","- C120 H116 Br8 N8 S8 -","2","0.25","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0361","0.0318","","","0.07","0.0713","","","","","","1.048","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032494","8.947","0.0005","55.603","0.003","20.6784","0.001","90","","91.7016","0.0015","90","","10282.6","0.9","100","","100.02","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(phenylthio)porphyrin","","- C60 H62 N4 S4 -","- C60 H62 N4 S4 -","- C480 H496 N32 S32 -","8","2","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0631","0.0488","","","0.0999","0.105","","","","","","1.108","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032495","8.7585","0.0005","23.2617","0.0014","24.6838","0.0014","90","","90","","90","","5029","0.5","100.01","","100.01","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(pyridin-2-ylthio)porphyrin","","- C56 H58 N8 S4 -","- C56 H58 N8 S4 -","- C224 H232 N32 S16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0736","0.0656","","","0.1695","0.1773","","","","","","1.035","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032496","14.405","0.0005","29.2714","0.0009","15.847","0.0005","90","","97.683","0.002","90","","6622","0.4","100","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,7,8,12,13,17,18-octaethyl-5,10,15,20-tetrakis(naphthyl-2-ylthio)porphyrin and 2,3,7,8,12,13,17,18-octaethyl-10,15,20-tri(naphthyl-2-ylthio)- 5-thiolporphyrin","","- C74 H68.8 N4 S4 -","- C74 H68.8 N4 S4 -","- C296 H275.2 N16 S16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0944","0.0678","","","0.1843","0.2054","","","","","","1.026","","","","has coordinates,has disorder","197460","2020-10-21","18:00:00",""
"4032497","9.5646","0.0004","23.0982","0.0009","14.9997","0.0006","90","","93.453","0.002","90","","3307.8","0.2","100","","100.01","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","[2,3,7,8,12,13,17,18-octaethyl-5,10-dinitroporphyrinato] nickel(II)","","- C36 H42 N6 Ni O4 -","- C36 H42 N6 Ni O4 -","- C144 H168 N24 Ni4 O16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","1.54178","CuKα","","0.0533","0.0451","","","0.1176","0.124","","","","","","1.041","","","","has coordinates,has disorder","197460","2020-10-21","18:00:00",""
"4032498","12.7085","0.0006","10.9353","0.0005","23.2462","0.0011","90","","92.6748","0.0015","90","","3227","0.3","100","","99.99","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3,7,8,12,13,17,18-octaethyl-5,20-dinitroporphyrin","","- C36 H44 N6 O4 -","- C36 H44 N6 O4 -","- C144 H176 N24 O16 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0761","0.0471","","","0.103","0.1159","","","","","","1.033","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032499","9.6015","0.0005","13.6688","0.0008","13.7637","0.0008","101.568","0.003","106.044","0.002","104.705","0.002","1606.37","0.16","100","","99.99","","","","","","","","","4","P -1","-P 1","2","","2,3,7,8,12,13,17,18-octaethyl-5,15-dinitroporphyrin","","- C36 H44 N6 O4 -","- C36 H44 N6 O4 -","- C72 H88 N12 O8 -","2","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0992","0.048","","","0.0995","0.1167","","","","","","1.001","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032500","8.6656","0.0011","13.9561","0.0017","27.365","0.003","90","","90","","90","","3309.5","0.7","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","2,3,7,8,12,13,17,18-octaethyl-5,10,15-trinitroporphyrin","","- C36 H43 N7 O6 -","- C36 H43 N7 O6 -","- C144 H172 N28 O24 -","4","1","","Kielmann, Marc; Flanagan, Keith J.; Norvaiša, Karolis; Intrieri, Daniela; Senge, Mathias O.","Synthesis of a Family of Highly Substituted Porphyrin Thioethers via Nitro Displacement in 2,3,7,8,12,13,17,18-Octaethyl-5,10,15,20-tetranitroporphyrin.","The Journal of organic chemistry","2017","82","10","5122","5134","10.1021/acs.joc.7b00328","","x-ray","0.71073","MoKα","","0.0482","0.0411","","","0.0966","0.1","","","","","","1.058","","","","has coordinates","197460","2020-10-21","18:00:00",""
"4032501","9.8115","0.0005","13.4789","0.0006","22.6671","0.0015","90","","99.671","0.005","90","","2955.1","0.3","180.01","0.1","180.01","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 O6 -","- C17 H16 O6 -","- C136 H128 O48 -","8","2","","Lv, Leiyang; Snider, Barry B.; Li, Zhiping","Total Synthesis and Structure Revision of (±)-Clavilactone D Through Selective Cyclization of an α,β-Dicarbonyl Peroxide.","The Journal of organic chemistry","2017","82","10","5487","5491","10.1021/acs.joc.7b00693","","","0.7107","MoKα","","0.1074","0.0603","","","0.128","0.1583","","","","","","1.056","","","","has coordinates","197453","2020-10-21","18:00:00",""
"4032503","9.7574","0.0007","9.8733","0.0008","10.1948","0.0009","74.937","0.003","61.753","0.002","76.281","0.002","827.9","0.12","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H17 N3 -","- C21 H17 N3 -","- C42 H34 N6 -","2","1","","Huang, Kai; Sheng, Guorong; Lu, Ping; Wang, Yanguang","From 1-Sulfonyl-4-aryl-1,2,3-triazoles to 1-Allenyl-5-aryl-1,2,3-triazoles.","The Journal of organic chemistry","2017","82","10","5294","5300","10.1021/acs.joc.7b00627","","","0.71073","MoKα","","0.1122","0.0545","","","0.1155","0.1624","","","","","","1.004","","","","has coordinates","197457","2020-10-21","18:00:00",""
"4032504","9.6673","0.0007","10.8096","0.0008","11.3855","0.0009","99.155","0.006","97.058","0.006","106.058","0.006","1111.19","0.15","170","","170","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 F N3 -","- C29 H20 F N3 -","- C58 H40 F2 N6 -","2","1","","Huang, Kai; Sheng, Guorong; Lu, Ping; Wang, Yanguang","From 1-Sulfonyl-4-aryl-1,2,3-triazoles to 1-Allenyl-5-aryl-1,2,3-triazoles.","The Journal of organic chemistry","2017","82","10","5294","5300","10.1021/acs.joc.7b00627","","","0.71073","MoKα","","0.0603","0.0429","","","0.0955","0.1085","","","","","","1.039","","","","has coordinates","197457","2020-10-21","18:00:00",""
"4032505","6.1641","0.0003","17.7996","0.0009","21.8234","0.0012","90","","90","","90","","2394.4","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H25 N O4 -","- C28 H25 N O4 -","- C112 H100 N4 O16 -","4","1","","El Bouakher, Abderrahman; Tasserie, Jordan; Le Goff, Ronan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Chemo-, Regio-, and Stereoselective Synthesis of Polysusbtituted Oxazolo[3,2-d][1,4]oxazepin-5(3H)ones via a Domino oxa-Michael/aza-Michael/Williamson Cycloetherification Sequence.","The Journal of organic chemistry","2017","82","11","5798","5809","10.1021/acs.joc.7b00629","","","0.71073","MoKα","","0.0994","0.0472","","","0.1109","0.1324","","","","","","1.011","","","","has coordinates","197470","2020-10-21","18:00:00",""
"4032506","6.1649","0.0002","11.6215","0.0005","15.8461","0.0006","108.224","0.002","94.768","0.002","100.713","0.002","1047.35","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H25 N O4 -","- C24 H25 N O4 -","- C48 H50 N2 O8 -","2","1","","El Bouakher, Abderrahman; Tasserie, Jordan; Le Goff, Ronan; Lhoste, Jérôme; Martel, Arnaud; Comesse, Sébastien","Chemo-, Regio-, and Stereoselective Synthesis of Polysusbtituted Oxazolo[3,2-d][1,4]oxazepin-5(3H)ones via a Domino oxa-Michael/aza-Michael/Williamson Cycloetherification Sequence.","The Journal of organic chemistry","2017","82","11","5798","5809","10.1021/acs.joc.7b00629","","","0.71073","MoKα","","0.0844","0.0454","","","0.1033","0.121","","","","","","1.027","","","","has coordinates","197470","2020-10-21","18:00:00",""
"4032509","9.426","0.0019","11.425","0.002","13.494","0.003","83.39","0.03","72.61","0.03","71.28","0.03","1313.1","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H24 Br Cl2 N3 O6 -","- C25 H24 Br Cl2 N3 O6 -","- C50 H48 Br2 Cl4 N6 O12 -","2","1","","Auria-Luna, Fernando; Marqués-López, Eugenia; Gimeno, M Concepción; Heiran, Roghayeh; Mohammadi, Somayeh; Herrera, Raquel P.","Asymmetric Organocatalytic Synthesis of Substituted Chiral 1,4-Dihydropyridine Derivatives.","The Journal of organic chemistry","2017","82","11","5516","5523","10.1021/acs.joc.7b00176","","","0.71073","MoKα","","0.0259","0.0228","","","0.0546","0.056","","","","","","1.031","","","","has coordinates","197468","2020-10-21","18:00:00",""
"4032510","11.9417","0.0007","19.9855","0.0012","13.5","0.0011","90","","114.978","0.001","90","","2920.6","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","triple[5]helicene","benzo[c]naphtho[2,1-l]phenanthro[3,4-g]chrysene","","- C43 H26 Cl2 -","- C43 H26 Cl2 -","- C172 H104 Cl8 -","4","1","","Saito, Hiromu; Uchida, Akira; Watanabe, Soichiro","Synthesis of a Three-Bladed Propeller-Shaped Triple [5]Helicene.","The Journal of organic chemistry","2017","82","11","5663","5668","10.1021/acs.joc.7b00486","","","0.71073","MoKα","","0.0835","0.0485","","","0.1075","0.1227","","","","","","1.019","","","","has coordinates","197469","2020-10-21","18:00:00",""
"4032511","28.8531","0.0006","28.8531","0.0006","10.2856","0.0002","90","","90","","90","","8562.8","0.3","200","2","200","2","","","","","","","","7","I 4","I 4","79","","","","- C38 H40 Cl N2 O2 Rh S -","- C38 H40 Cl N2 O2 Rh S -","- C304 H320 Cl8 N16 O16 Rh8 S8 -","8","1","","Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.","The Journal of organic chemistry","2017","82","11","5607","5615","10.1021/acs.joc.7b00436","","","0.71073","MoKα","","0.0724","0.0522","","","0.111","0.1212","","","","","","1.06","","","","has coordinates","197471","2020-10-21","18:00:00",""
"4032512","13.23","0.003","18.199","0.004","21.746","0.007","112.842","0.007","105.02","0.007","95.223","0.006","4551","2","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","- C150.5 H146.5 Cl19.5 N34 O8 Zn2 -","1","0.5","","Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie","Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.","The Journal of organic chemistry","2017","82","11","5845","5851","10.1021/acs.joc.7b00698","","","0.71073","MoKα","","0.1431","0.1146","","","0.3334","0.3505","","","","","","2.389","","","","has coordinates,has disorder","197466","2020-10-21","18:00:00",""
"4032513","7.85","0.002","9.9","0.003","18.766","0.005","90","","90","","90","","1458.4","0.7","113","","113","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O Si -","- C16 H20 O Si -","- C64 H80 O4 Si4 -","4","1","","Koga, Shinya; Ueki, Shuhei; Shimada, Masaki; Ishii, Ryoma; Kurihara, Yu; Yamanoi, Yoshinori; Yuasa, Junpei; Kawai, Tsuyoshi; Uchida, Taka-Aki; Iwamura, Munetaka; Nozaki, Koichi; Nishihara, Hiroshi","Access to Chiral Silicon Centers for Application to Circularly Polarized Luminescence Materials.","The Journal of organic chemistry","2017","82","12","6108","6117","10.1021/acs.joc.7b00583","","","0.7107","MoKα","","","0.0487","","","","0.1108","","","","","","1.055","","","","has coordinates","199587","2020-10-21","18:00:00",""
"4032514","13.1588","0.0018","13.1443","0.0018","19.143","0.003","90","","94.542","0.004","90","","3300.6","0.8","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Br N O4 -","- C19 H12 Br N O4 -","- C152 H96 Br8 N8 O32 -","8","1","","Zhou, Rong-Rong; Cai, Qun; Li, Deng-Kui; Zhuang, Shi-Yi; Wu, Yan-Dong; Wu, An-Xin","Acid-Promoted Multicomponent Tandem Cyclization to Synthesize Fully Substituted Oxazoles via Robinson-Gabriel-Type Reaction.","The Journal of organic chemistry","2017","82","12","6450","6456","10.1021/acs.joc.7b00763","","","0.71073","MoKα","","0.0748","0.0414","","","0.0973","0.1103","","","","","","1.017","","","","has coordinates","200708","2020-10-21","18:00:00",""
"4032515","7.8331","0.0019","11.78","0.003","12.011","0.003","82.353","0.004","82.268","0.004","73.792","0.004","1049.2","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H15 Br Cl3 N O5 -","- C20 H15 Br Cl3 N O5 -","- C40 H30 Br2 Cl6 N2 O10 -","2","1","","Zhou, Rong-Rong; Cai, Qun; Li, Deng-Kui; Zhuang, Shi-Yi; Wu, Yan-Dong; Wu, An-Xin","Acid-Promoted Multicomponent Tandem Cyclization to Synthesize Fully Substituted Oxazoles via Robinson-Gabriel-Type Reaction.","The Journal of organic chemistry","2017","82","12","6450","6456","10.1021/acs.joc.7b00763","","","0.71073","MoKα","","0.0736","0.0438","","","0.1313","0.1494","","","","","","0.979","","","","has coordinates","200708","2020-10-21","18:00:00",""
"4032518","5.65117","0.00009","11.07138","0.00012","29.0073","0.0004","90","","90","","90","","1814.88","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N O4 -","- C17 H29 N O4 -","- C68 H116 N4 O16 -","4","1","","Ruysbergh, Ewout; Van Hecke, Kristof; Stevens, Christian V.; De Kimpe, Norbert; Mangelinckx, Sven","Synthesis of 1,4-Oxazepane-2,5-diones via Cyclization of Rotationally Restricted Amino Acid Precursors and Structural Reassignment of Serratin.","The Journal of organic chemistry","2017","82","12","6210","6222","10.1021/acs.joc.7b00790","","x-ray","1.54184","CuKα","","0.0617","0.0531","","","0.1487","0.1624","","","","","","1.044","","","","has coordinates,has disorder","200714","2020-10-21","18:00:00",""
"4032519","16.0893","0.0015","13.5964","0.0011","7.3456","0.0008","90","","90.462","0.006","90","","1606.8","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H11 Cl F N2 O7 -","- C14 H11 Cl F N2 O7 -","- C56 H44 Cl4 F4 N8 O28 -","4","1","","Moloney, Harold; Magnus, Nicholas A.; Buser, Jonas Y.; Embry, Matthew C.","Cyclization of Methyl-Coumalate-Derived Methyl 1-Benzamido-6-oxo-1,6-dihydropyridine-3-carboxylates: Assembly of the [1,2,4]Triazolo[1,5-a]pyridine Ring System.","The Journal of organic chemistry","2017","82","12","6279","6288","10.1021/acs.joc.7b00873","","","1.54178","CuKα","","0.1973","0.1824","","","0.4812","0.4891","","","","","","1.082","","","","has coordinates","200715","2020-10-21","18:00:00",""
"4032520","8.5498","0.0009","4.0298","0.0006","30.129","0.003","90","","96.739","0.004","90","","1030.9","0.2","302","2","302","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C9 H8 Br N O5 S0 -","- C9 H8 Br N O5 -","- C36 H32 Br4 N4 O20 -","4","1","","Lv, Leiyang; Snider, Barry B.; Li, Zhiping","Total Synthesis and Structure Revision of (±)-Clavilactone D Through Selective Cyclization of an α,β-Dicarbonyl Peroxide.","The Journal of organic chemistry","2017","82","10","5487","5491","10.1021/acs.joc.7b00693","","","0.71073","MoKα","","","0.0791","","","0.2192","0.2303","","","","","","1.041","","","","has coordinates","197319","2020-10-21","18:00:00",""
"4032521","5.8996","0.0005","8.2125","0.0007","14.9493","0.0014","90","","92.622","0.003","90","","723.54","0.11","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C38 H28 N4 O2 -","2","0.5","","Zhang, Jian; Lu, Xiunan; Li, Tingyan; Wang, Shanlu; Zhong, Guofu","Copper-Catalyzed Oxidative Cyclization of 2-Amino-azaarenes with Lignin Models: Synthesis of 3-Phenoxy Imidazo Heterocycles.","The Journal of organic chemistry","2017","82","10","5222","5229","10.1021/acs.joc.7b00480","","","0.71073","MoKα","","0.0988","0.0762","","","0.1748","0.1927","","","","","","1.045","","","","has coordinates,has disorder","197320","2020-10-21","18:00:00",""
"4032522","16.3855","0.0002","7.3631","0.00009","18.7465","0.0003","90","","90","","90","","2261.73","0.05","99.9","0.2","99.9","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 I N2 -","- C11 H11 I N2 -","- C88 H88 I8 N16 -","8","1","","Beyeh, Ngong Kodiah; Jo, Hyun Hwa; Kolesnichenko, Igor; Pan, Fangfang; Kalenius, Elina; Anslyn, Eric V.; Ras, Robin H. A.; Rissanen, Kari","Recognition of Viologen Derivatives in Water by N-Alkyl Ammonium Resorcinarene Chlorides.","The Journal of organic chemistry","2017","82","10","5198","5203","10.1021/acs.joc.7b00449","","x-ray","0.71073","MoKα","","0.0369","0.0306","","","0.0647","0.0667","","","","","","1.183","","","","has coordinates","197321","2020-10-21","18:00:00",""
"4032523","10.8211","0.0002","7.3341","0.0002","18.3161","0.0004","90","","101.919","0.002","90","","1422.28","0.06","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 O3 -","- C19 H16 O3 -","- C76 H64 O12 -","4","1","","Smith, Robert J.; Nhu, Duong; Clark, Mitchell R.; Gai, Sinan; Lucas, Nigel T.; Hawkins, Bill C.","Synthesis of Chromones from 1,1-Diacylcyclopropanes: Toward the Synthesis of Bromophycoic Acid E.","The Journal of organic chemistry","2017","82","10","5317","5327","10.1021/acs.joc.7b00648","","","1.54184","CuKα","","0.0419","0.0401","","","0.1097","0.1117","","","","","","1.045","","","","has coordinates","197322","2020-10-21","18:00:00",""
"4032524","13.3138","0.0014","18.7196","0.0019","4.0464","0.0005","90","","90","","90","","1008.48","0.19","100","","100","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H10 N2 O -","- C14 H10 N2 O -","- C56 H40 N8 O4 -","4","1","","Lévesque, Éric; Bechara, William S.; Constantineau-Forget, Léa; Pelletier, Guillaume; Rachel, Natalie M.; Pelletier, Joelle N.; Charette, André B","General C-H Arylation Strategy for the Synthesis of Tunable Visible Light-Emitting Benzo[a]imidazo[2,1,5-c,d]indolizine Fluorophores.","The Journal of organic chemistry","2017","82","10","5046","5067","10.1021/acs.joc.6b02928","","x-ray","1.34139","GaKα","","0.059","0.0542","","","0.1391","0.1461","","","","","","1.094","","","","has coordinates","197323","2020-10-21","18:00:00",""
"4032525","11.1487","0.0005","13.6771","0.0007","15.266","0.0007","71.218","0.002","75.407","0.002","73.308","0.002","2078.07","0.17","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H23 N O3 -","- C27 H23 N O3 -","- C108 H92 N4 O12 -","4","2","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1112","0.0528","","","0.1119","0.1345","","","","","","1.016","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032526","10.93","0.004","14.661","0.005","14.878","0.005","90","","98.11","0.007","90","","2360.3","1.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H23 N O2 -","- C31 H23 N O2 -","- C124 H92 N4 O8 -","4","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1164","0.0763","","","0.1458","0.1623","","","","","","1.151","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032527","11.3","0.002","23.294","0.006","16.578","0.004","90","","94.778","0.008","90","","4348.5","1.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C53 H49 N O3 -","- C53 H49 N O3 -","- C212 H196 N4 O12 -","4","1","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1145","0.0668","","","0.1354","0.1527","","","","","","1.072","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032528","10.3589","0.0005","17.6488","0.0006","36.7182","0.0015","90","","91.708","0.002","90","","6709.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C45 H33 N O2 -","- C45 H33 N O2 -","- C360 H264 N8 O16 -","8","2","","Tulichala, R. N. Prasad; Shankar, Mallepalli; Swamy, K. C. Kumara","Ruthenium-Catalyzed Oxidative Annulation and Hydroarylation of Chromene-3-carboxamides with Alkynes via Double C-H Functionalization.","The Journal of organic chemistry","2017","82","10","5068","5079","10.1021/acs.joc.7b00008","","","0.71073","MoKα","","0.1308","0.0758","","","0.1354","0.1575","","","","","","1.168","","","","has coordinates","197324","2020-10-21","18:00:00",""
"4032529","10.847","0.0007","7.3231","0.0005","13.5873","0.0009","90","","95.06","0.002","90","","1075.08","0.12","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br O3 -","- C24 H25 Br O3 -","- C48 H50 Br2 O6 -","2","1","","Li, Mingfeng; Guo, Xin; Zheng, Qing; Hu, Wenhao; Liu, Shunying","Enantioselective Multicomponent Reaction for Rapid Construction of 1,2,5-Triol Derivatives with Vicinal Chiral Centers.","The Journal of organic chemistry","2017","82","10","5212","5221","10.1021/acs.joc.7b00473","","","0.71073","MoKα","","0.0657","0.0424","","","0.083","0.0926","","","","","","1.04","","","","has coordinates","197325","2020-10-21","18:00:00",""
"4032530","12.0769","0.0016","6.0438","0.0008","14.3621","0.0018","90","","112.912","0.004","90","","965.6","0.2","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H26 O3 -","- C24 H26 O3 -","- C48 H52 O6 -","2","1","","Li, Mingfeng; Guo, Xin; Zheng, Qing; Hu, Wenhao; Liu, Shunying","Enantioselective Multicomponent Reaction for Rapid Construction of 1,2,5-Triol Derivatives with Vicinal Chiral Centers.","The Journal of organic chemistry","2017","82","10","5212","5221","10.1021/acs.joc.7b00473","","","0.71073","MoKα","","0.0957","0.0523","","","0.0992","0.121","","","","","","1.037","","","","has coordinates","197326","2020-10-21","18:00:00",""
"4032531","8.2642","0.0002","8.2642","0.0002","59.668","0.004","90","","90","","90","","4075.1","0.3","294.3","0.1","294.3","0.1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C24 H19 Cl O4 -","- C24 H19 Cl O4 -","- C192 H152 Cl8 O32 -","8","1","","Deng, Yu-Hua; Chu, Wen-Dao; Zhang, Xiang-Zhi; Yan, Xu; Yu, Ke-Yin; Yang, Liang-Liang; Huang, Hanmin; Fan, Chun-An","Cinchona Alkaloid Catalyzed Enantioselective [4 + 2] Annulation of Allenic Esters and in Situ Generated ortho-Quinone Methides: Asymmetric Synthesis of Functionalized Chromans.","The Journal of organic chemistry","2017","82","10","5433","5440","10.1021/acs.joc.7b00370","","","0.71073","MoKα","","0.0729","0.0565","","","0.1252","0.1365","","","","","","1.149","","","","has coordinates","197327","2020-10-21","18:00:00",""
"4032532","5.882","0.016","9","0.019","15.23","0.03","92.86","0.04","95.13","0.07","96.63","0.05","796","3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N3 S -","- C18 H19 N3 S -","- C36 H38 N6 S2 -","2","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.0441","0.0401","","","0.0965","0.099","","","","","","1.069","","","","has coordinates","197328","2020-10-21","18:00:00",""
"4032533","7.5226","0.0013","8.7242","0.0015","10.8567","0.0019","70.464","0.003","74.325","0.003","73.849","0.003","632.52","0.19","294","2","294","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 N3 O S -","- C13 H13 N3 O S -","- C26 H26 N6 O2 S2 -","2","1","","Tumula, Nagaraju; Jatangi, Nagesh; Palakodety, Radha Krishna; Balasubramanian, Sridhar; Nakka, Mangarao","I2-Catalyzed Oxidative N-S Bond Formation: Metal-Free Regiospecific Synthesis of N-Fused and 3,4-Disubstituted 5-Imino-1,2,4-thiadiazoles.","The Journal of organic chemistry","2017","82","10","5310","5316","10.1021/acs.joc.7b00646","","","0.71073","MoKα","","0.0619","0.0487","","","0.1146","0.1223","","","","","","1.038","","","","has coordinates","197329","2020-10-21","18:00:00",""
"4032534","10.1059","0.0005","17.653","0.0007","9.9226","0.0004","90","","112.424","0.005","90","","1636.34","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H19 N3 O -","- C19 H19 N3 O -","- C76 H76 N12 O4 -","4","1","","Ding, Xiaomei; Huang, Manna; Yi, Zhou; Du, Dongchen; Zhu, Xinhai; Wan, Yiqian","Room-Temperature CuI-Catalyzed Amination of Aryl Iodides and Aryl Bromides.","The Journal of organic chemistry","2017","82","10","5416","5423","10.1021/acs.joc.7b00290","","","1.54178","CuKα","","0.0501","0.0402","","","0.1035","0.1119","","","","","","1.041","","","","has coordinates","197330","2020-10-21","18:00:00",""
"4032535","9.8883","0.0007","16.9433","0.0011","17.7267","0.0012","89.88","0.004","76.345","0.004","89.937","0.004","2886","0.3","296","2","296","2","","","","","","","","4","P 1","P 1","1","","","","- C17 H17 N3 O -","- C17 H17 N3 O -","- C136 H136 N24 O8 -","8","8","","Mondal, Susmita; Samanta, Sadhanendu; Jana, Sourav; Hajra, Alakananda","(Diacetoxy)iodobenzene-Mediated Oxidative C-H Amination of Imidazopyridines at Ambient Temperature.","The Journal of organic chemistry","2017","82","8","4504","4510","10.1021/acs.joc.7b00564","","","0.71073","MoKα","","0.1948","0.091","","","0.2099","0.2778","","","","","","1.068","","","","has coordinates","197331","2020-10-21","18:00:00",""
"4032536","10.9429","0.0018","6.4395","0.0012","13.07","0.003","90","","102.48","0.006","90","","899.2","0.3","133","2","133","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H30 O2 Si -","- C18 H30 O2 Si -","- C36 H60 O4 Si2 -","2","1","","Johnson, Trevor C.; Chin, Matthew R.; Siegel, Dionicio","Synthetic Route Development for the Laboratory Preparation of Eupalinilide E.","The Journal of organic chemistry","2017","82","9","4640","4653","10.1021/acs.joc.7b00266","","","0.71073","MoKα","","0.0926","0.0606","","","0.1078","0.1184","","","","","","1.062","","","","has coordinates","197332","2020-10-21","18:00:00",""
"4032537","8.9751","0.0004","17.186","0.0007","21.3036","0.0008","90","","90","","90","","3286","0.2","173","2","173","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br Cl3 F6 N2 O3 -","- C27 H34 Br Cl3 F6 N2 O3 -","- C108 H136 Br4 Cl12 F24 N8 O12 -","4","1","","Jin, Qiaowen; Zheng, Changwu; Zhao, Gang; Zou, Gang","Bifunctional Quaternary Ammonium Salts Catalyzed Stereoselective Conjugate Addition of Oxindoles to Electron-Deficient β-Haloalkenes.","The Journal of organic chemistry","2017","82","9","4840","4850","10.1021/acs.joc.7b00571","","","1.54178","CuKα","","0.0583","0.0514","","","0.1324","0.1387","","","","","","1.041","","","","has coordinates","197333","2020-10-21","18:00:00",""
"4032538","10.9526","0.0007","11.6626","0.001","29.56","0.002","90","","90","","90","","3775.9","0.5","102","3","102","3","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","AKSIII_099","","- C15 H11 Br S -","- C15 H11 Br S -","- C180 H132 Br12 S12 -","12","3","","Simlandy, Amit Kumar; Mukherjee, Santanu","Catalytic Enantioselective Synthesis of 3,4-Unsubstituted Thiochromenes through Sulfa-Michael/Julia-Kocienski Olefination Cascade Reaction.","The Journal of organic chemistry","2017","82","9","4851","4858","10.1021/acs.joc.7b00579","","x-ray","0.71073","MoKα","","0.0842","0.0557","","","0.0797","0.0892","","","","","","0.998","","","","has coordinates","197334","2020-10-21","18:00:00",""
"4032539","5.3002","0.0002","15.1222","0.0007","10.5712","0.0005","90","","93.512","0.001","90","","845.7","0.06","100","1","100","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H25 N O4 -","- C18 H25 N O4 -","- C36 H50 N2 O8 -","2","1","","Awada, Hawraà; Grison, Claire M.; Charnay-Pouget, Florence; Baltaze, Jean-Pierre; Brisset, François; Guillot, Régis; Robin, Sylvie; Hachem, Ali; Jaber, Nada; Naoufal, Daoud; Yazbeck, Ogaritte; Aitken, David J.","Conformational Effects through Hydrogen Bonding in a Constrained γ-Peptide Template: From Intraresidue Seven-Membered Rings to a Gel-Forming Sheet Structure.","The Journal of organic chemistry","2017","82","9","4819","4828","10.1021/acs.joc.7b00494","","x-ray","0.71073","MoKα","","0.033","0.0298","","","0.0676","0.0695","","","","","","1.037","","","","has coordinates","197335","2020-10-21","18:00:00",""
"4032540","9.7004","0.0006","10.2894","0.0005","21.5422","0.0011","84.863","0.004","88.794","0.005","65.035","0.006","1941.1","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C41 H70 Ni O2 P2 -","- C41 H70 Ni O2 P2 -","- C82 H140 Ni2 O4 P4 -","2","1","","Ding, Keying; Xu, Shi; Alotaibi, Rajeh; Paudel, Keshav; Reinheimer, Eric W.; Weatherly, Jessie","Nickel-Catalyzed Decarbonylation of Aromatic Aldehydes.","The Journal of organic chemistry","2017","82","9","4924","4929","10.1021/acs.joc.7b00284","","x-ray","0.71073","MoKα","","0.0747","0.0661","","","0.1847","0.1926","","","","","","1.025","","","","has coordinates,has disorder","197336","2020-10-21","18:00:00",""
"4032541","13.748","0.003","12.1123","0.0006","18.9","0.004","90","","142.47","0.04","90","","1917.2","1.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0808","0.0632","","","0.1568","0.1676","","","","","","1.07","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032542","7.57183","0.0001","14.7939","0.0002","16.2756","0.0003","90","","90","","90","","1823.14","0.05","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0468","0.0381","","","0.094","0.1002","","","","","","1.029","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032543","13.0527","0.0006","11.2475","0.0005","13.2498","0.0006","90","","108.361","0.005","90","","1846.18","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0653","0.0488","","","0.137","0.1501","","","","","","1.121","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032544","9.6002","0.0003","13.5064","0.0006","14.3807","0.0007","91.541","0.004","90.982","0.003","93.835","0.003","1859.48","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","2","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","1.54184","CuKα","","0.0452","0.0374","","","0.0966","0.1041","","","","","","1.049","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032545","8.1841","0.0003","31.9088","0.0012","7.3248","0.0004","90","","90.232","0.004","90","","1912.82","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","1.54184","CuKα","","0.0712","0.0589","","","0.1616","0.1759","","","","","","1.039","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032546","7.5464","0.0007","9.5617","0.001","25.693","0.002","90","","90","","90","","1853.9","0.3","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H15 N3 O7 S -","- C18 H15 N3 O7 S -","- C72 H60 N12 O28 S4 -","4","1","","Venkateswarulu, Mangili; Kumar, Sunil; Ghosh, Subrata","Modified Atomic Orbital Overlap: Molecular Level Proof of the Nucleophilic Cleavage Propensity of Dinitrophenol-Based Probes.","The Journal of organic chemistry","2017","82","9","4713","4720","10.1021/acs.joc.7b00317","","x-ray","0.71073","MoKα","","0.0676","0.0558","","","0.1415","0.1527","","","","","","1.062","","","","has coordinates","197337","2020-10-21","18:00:00",""
"4032547","8.7575","0.0012","10.7101","0.0014","10.7153","0.0014","77.067","0.002","72.812","0.002","87.327","0.002","935.6","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H20 Br N O4 -","- C18 H20 Br N O4 -","- C36 H40 Br2 N2 O8 -","2","1","","Li, Pan; Zhao, Jingjing; Li, Xinjian; Li, Fuwei","Alkali-Induced Ring-Opening of 2-Amidodihydrofuran and Manganese-Catalyzed Aerobic Dehydrogenation Annulation: Access to Functionalized Oxazole.","The Journal of organic chemistry","2017","82","9","4569","4577","10.1021/acs.joc.7b00112","","","0.71073","MoKα","","0.0632","0.045","","","0.0902","0.1143","","","","","","1.041","","","","has coordinates","197338","2020-10-21","18:00:00",""
"4032548","13.7908","0.0019","13.2366","0.0018","7.7897","0.0011","90","","100.818","0.002","90","","1396.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 N O3 -","- C14 H15 N O3 -","- C56 H60 N4 O12 -","4","1","","Li, Pan; Zhao, Jingjing; Li, Xinjian; Li, Fuwei","Alkali-Induced Ring-Opening of 2-Amidodihydrofuran and Manganese-Catalyzed Aerobic Dehydrogenation Annulation: Access to Functionalized Oxazole.","The Journal of organic chemistry","2017","82","9","4569","4577","10.1021/acs.joc.7b00112","","","0.71073","MoKα","","0.0728","0.0555","","","0.1168","0.127","","","","","","1.011","","","","has coordinates","197339","2020-10-21","18:00:00",""
"4032549","21.3227","0.0007","31.9115","0.0012","32.7689","0.0013","90","","90","","90","","22297.2","1.4","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C148 H144 N34 O14 Zn2 -","- C148 H144 N34 O14 Zn2 -","- C592 H576 N136 O56 Zn8 -","4","0.5","","Schoepff, Laetitia; Kocher, Lucas; Durot, Stéphanie; Heitz, Valérie","Chemically Induced Breathing of Flexible Porphyrinic Covalent Cages.","The Journal of organic chemistry","2017","82","11","5845","5851","10.1021/acs.joc.7b00698","","","1.54178","CuKα","","0.0733","0.0556","","","0.1649","0.1737","","","","","","1.093","","","","has coordinates","197340","2020-10-21","18:00:00",""
"4032550","10.859","0.003","12.13","0.003","18.229","0.005","90","","90","","90","","2401.1","1.1","173.15","","173.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 N2 O4 S -","- C28 H24 N2 O4 S -","- C112 H96 N8 O16 S4 -","4","1","","Man, Ning-Ning; Wang, Jia-Qi; Zhang, Li-Ming; Wen, Li-Rong; Li, Ming","Chemo-, Regio-, and Stereoselective Construction of Core Skeleton of Furo[2,3-b]pyrrole via Multicomponent Bicyclization Reaction.","The Journal of organic chemistry","2017","82","11","5566","5573","10.1021/acs.joc.7b00371","","","0.71073","MoKα","","0.0457","0.0424","","","0.0822","0.0838","","","","","","1.103","","","","has coordinates","197341","2020-10-21","18:00:00",""
"4032551","10.377","0.001","14.517","0.001","18.313","0.002","85.74","0.01","72.95","0.01","68.68","0.01","2455.4","0.5","100","","100","","","","","","","","","8","P -1","-P 1","2","","","","- C79.63 H13.86 Cl0.77 F6 Li N O4 S2 -","- C79.626 H13.855 Cl0.771 F6 Li N O4 S2 -","- C159.252 H27.71 Cl1.542 F12 Li2 N2 O8 S4 -","2","1","","Okada, Hiroshi; Kawakami, Hiroki; Aoyagi, Shinobu; Matsuo, Yutaka","Crystallographic Structure Determination of Both [5,6]- and [6,6]-Isomers of Lithium-Ion-Containing Diphenylmethano[60]fullerene.","The Journal of organic chemistry","2017","82","11","5868","5872","10.1021/acs.joc.7b00730","","","0.41289","synchrotron","","0.066","0.0653","","","0.1823","0.1833","","","","","","1.077","","","","has coordinates,has disorder","197342","2020-10-21","18:00:00",""
"4032552","8.4064","0.0004","9.1017","0.0004","12.6039","0.0006","92.23","0.001","106.615","0.001","114.127","0.001","829.88","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","","Zhang, Dan; Kang, Zhenghui; Hu, Wenhao","Trapping of Transient Zwitterionic Intermediates by N-Acylpyridinium Salts: A Palladium-Catalyzed Diastereoselective Three-Component Reaction.","The Journal of organic chemistry","2017","82","11","5952","5958","10.1021/acs.joc.7b00560","","","0.71073","MoKα","","0.0945","0.0875","","","0.2346","0.2555","","","","","","1.152","","","","has coordinates","197343","2020-10-21","18:00:00",""
"4032553","9.8783","0.0011","19.628","0.002","20.062","0.002","90","","100.649","0.002","90","","3822.9","0.7","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C25 H18 N2 -","- C25 H18 N2 -","- C200 H144 N16 -","8","1","","Zhu, Yan-Shuo; Yuan, Bei-Bei; Guo, Jiao-Mei; Jin, Shao-Jing; Dong, Hua-Hui; Wang, Qi-Lin; Bu, Zhan-Wei","A Copper-Catalyzed Friedel-Crafts Alkylation/Cyclization Sequence: an Approach to Functionalized Pyrrolo[1,2-a]indole Spirooxindoles and 9H-Pyrrolo[1,2-a]indoles.","The Journal of organic chemistry","2017","82","11","5669","5677","10.1021/acs.joc.7b00488","","","0.71073","MoKα","","0.0746","0.0426","","","0.1035","0.1207","","","","","","1.017","","","","has coordinates","197344","2020-10-21","18:00:00",""
"4032554","10.9997","0.0005","25.0507","0.0012","13.0048","0.0006","90","","112.42","0.003","90","","3312.6","0.3","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C84 H80 N6 O8 -","- C84 H80 N6 O8 -","- C168 H160 N12 O16 -","2","0.5","","Jarvis, Tia S.; Collins, Carleton G.; Dempsey, Janel M.; Oliver, Allen G.; Smith, Bradley D.","Synthesis and Structure of 3,3-Dimethylindoline Squaraine Rotaxanes.","The Journal of organic chemistry","2017","82","11","5819","5825","10.1021/acs.joc.7b00655","","","1.54184","CuKα","","0.0896","0.0779","","","0.2227","0.2358","","","","","","1.028","","","","has coordinates,has disorder","197345","2020-10-21","18:00:00",""
"4032555","19.7868","0.0003","19.7868","0.0003","10.0428","0.0003","90","","90","","90","","3931.93","0.14","130","","130","","","","","","","","","4","I -4","I -4","82","","","","- C25 H22 N2 O -","- C25 H22 N2 O -","- C200 H176 N16 O8 -","8","1","","Schlegel, Marcel; Schneider, Christoph","Lewis Acid-Catalyzed Nucleophilic Addition of Indoles to in Situ-Generated 2-Amidoallyl Cations.","The Journal of organic chemistry","2017","82","11","5986","5992","10.1021/acs.joc.7b00791","","","0.71073","MoKα","","0.0638","0.0475","","","0.0794","0.0841","","","","","","1.081","","","","has coordinates","197346","2020-10-21","18:00:00",""
"4032556","14.2252","0.0008","17.5063","0.0011","19.1686","0.0011","90","","90","","90","","4773.6","0.5","200","2","200","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 Cl10 F N2 O2 Rh S -","- C40 H40 Cl10 F N2 O2 Rh S -","- C160 H160 Cl40 F4 N8 O8 Rh4 S4 -","4","1","","Zheng, Long-Sheng; Llopis, Quentin; Echeverria, Pierre-Georges; Férard, Charlène; Guillamot, Gérard; Phansavath, Phannarath; Ratovelomanana-Vidal, Virginie","Asymmetric Transfer Hydrogenation of (Hetero)arylketones with Tethered Rh(III)-N-(p-Tolylsulfonyl)-1,2-diphenylethylene-1,2-diamine Complexes: Scope and Limitations.","The Journal of organic chemistry","2017","82","11","5607","5615","10.1021/acs.joc.7b00436","","","0.71073","MoKα","","0.0604","0.049","","","0.1332","0.1417","","","","","","1.03","","","","has coordinates,has disorder","197347","2020-10-21","18:00:00",""
"4032558","8.032","0.002","6.421","0.002","19.345","0.004","90","0.03","96.34","0.03","90","0.03","991.6","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H11 N3 -","- C11 H11 N3 -","- C44 H44 N12 -","4","1","","Peterson, Joshua P.; Geraskina, Margarita R.; Zhang, Rui; Winter, Arthur H.","Effect of Substituents on the Bond Strength of Air-Stable Dicyanomethyl Radical Thermochromes.","The Journal of organic chemistry","2017","82","12","6497","6501","10.1021/acs.joc.7b01188","","","1.54184","","","0.0328","0.0317","","","0.0865","0.0876","","","","","","1.045","","","","has coordinates","200710","2020-10-21","18:00:00",""
"4032559","15.3912","0.0006","5.576","0.003","18.214","","90","0.012","92.26","","90","","1561.9","0.8","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N4 O -","- C19 H14 N4 O -","- C76 H56 N16 O4 -","4","1","","Kumar, Pradeep; Aggarwal, Trapti; Verma, Akhilesh K.","Chemoselective Azidation of o-Alkynylaldehydes over [3 + 2] Cycloaddition and Subsequent Staudinger Reaction: Access to Benzonaphthyridines/Naphthyridines.","The Journal of organic chemistry","2017","82","12","6388","6397","10.1021/acs.joc.7b01016","","","0.71073","MoKα","","0.2081","0.0774","","","0.1377","0.1911","","","","","","0.916","","","","has coordinates","200713","2020-10-21","18:00:00",""
"4032560","17.3","0.004","7.8692","0.001","16.258","0.003","90","","117.18","0.03","90","","1968.9","0.8","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N4 O4 -","- C20 H24 N4 O4 -","- C80 H96 N16 O16 -","4","1","","Sahu, Raghaba; Singh, Vishwakarma","Cycloaddition of Spiroepoxycyclohexa-2,4-dienones, Radical Cyclization and 1,3-Acyl Shift in Excited State: Aromatics to Sterpuren-4-one.","The Journal of organic chemistry","2017","82","12","6268","6278","10.1021/acs.joc.7b00867","","x-ray","0.71073","MoKα","","0.1646","0.0743","","","0.1715","0.259","","","","","","1.079","","","","has coordinates","200709","2020-10-21","18:00:00",""
"4032561","9.9156","0.0016","12.085","0.002","12.04","0.002","90","","112.791","0.003","90","","1330.1","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 Br2 N4 O -","- C11 H10 Br2 N4 O -","- C44 H40 Br8 N16 O4 -","4","1","","Deng, Xiaocong; Lei, Xue; Nie, Gang; Jia, Lihui; Li, Yuanxiang; Chen, Yunfeng","Copper-Catalyzed Cross-Dehydrogenative N(2)-Coupling of NH-1,2,3-Triazoles with N,N -Dialkylamides: N-Amidoalkylation of NH-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","12","6163","6171","10.1021/acs.joc.7b00752","","","0.71073","MoKα","","0.0733","0.0528","","","0.1356","0.1438","","","","","","0.953","","","","has coordinates","200711","2020-10-21","18:00:00",""
"4032562","14.851","0.003","6.8378","0.0012","13.732","0.002","90","","109.703","0.003","90","","1312.8","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 Br2 N4 O -","- C11 H10 Br2 N4 O -","- C44 H40 Br8 N16 O4 -","4","1","","Deng, Xiaocong; Lei, Xue; Nie, Gang; Jia, Lihui; Li, Yuanxiang; Chen, Yunfeng","Copper-Catalyzed Cross-Dehydrogenative N(2)-Coupling of NH-1,2,3-Triazoles with N,N -Dialkylamides: N-Amidoalkylation of NH-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","12","6163","6171","10.1021/acs.joc.7b00752","","","0.71073","MoKα","","0.0633","0.0503","","","0.1531","0.1694","","","","","","1.049","","","","has coordinates","200711","2020-10-21","18:00:00",""
"4032563","6.3659","0.0005","8.72","0.0007","10.5934","0.0008","89.053","0.006","73.759","0.005","73.554","0.005","540.23","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C24 H38 N2 O4 -","2","1","","Saruengkhanphasit, Rungroj; Collier, Darren; Coldham, Iain","Synthesis of Spirocyclic Amines by Using Dipolar Cycloadditions of Nitrones.","The Journal of organic chemistry","2017","82","12","6489","6496","10.1021/acs.joc.7b00959","","","0.71073","MoKα","","0.0836","0.0569","","","0.1469","0.1632","","","","","","1.02","","","","has coordinates","200712","2020-10-21","18:00:00",""
"4032564","14.847","0.019","5.161","0.007","51.87","0.07","90","","91.829","0.013","90","","3973","9","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H6 F9 N O -","- C13 H6 F9 N O -","- C156 H72 F108 N12 O12 -","12","3","","Yin, Hongfei; Skrydstrup, Troels","Access to Perfluoroalkyl-Substituted Enones and Indolin-2-ones via Multicomponent Pd-Catalyzed Carbonylative Reactions.","The Journal of organic chemistry","2017","82","12","6474","6481","10.1021/acs.joc.7b00942","","","0.56086","AgKα","","0.1596","0.0911","","","0.2177","0.2684","","","","","","1.005","","","","has coordinates","200707","2020-10-21","18:00:00",""
"4032566","11.2228","0.0008","12.8435","0.0008","12.8455","0.0009","83.167","0.005","66.229","0.007","64.19","0.007","1521.8","0.2","143","2","143","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H32 N2 O6 -","- C34 H32 N2 O6 -","- C68 H64 N4 O12 -","2","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54178","CuKα","","0.0702","0.0534","","","0.1257","0.1343","","","","","","1.049","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032567","9.2055","0.0003","8.1914","0.0002","20.5255","0.0005","90","","100.576","0.003","90","","1521.45","0.07","144","1","144","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","- C72 H72 N4 O16 -","2","0.5","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0489","0.0439","","","0.1161","0.1227","","","","","","1.043","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032568","8.9497","0.0003","42.7991","0.0018","11.4651","0.0004","90","","107.31","0.004","90","","4192.7","0.3","147","1","147","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C47 H48 N2 O9 S2 -","- C47 H48 N2 O9 S2 -","- C188 H192 N8 O36 S8 -","4","2","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0769","0.0728","","","0.181","0.184","","","","","","1.084","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032569","9.2344","0.0006","12.8639","0.0008","12.9355","0.0009","98.362","0.005","105.308","0.006","103.305","0.006","1407.09","0.18","161","1","161","1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 O6 -","- C32 H30 O6 -","- C64 H60 O12 -","2","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54184","CuKα","","0.0588","0.0455","","","0.1209","0.1323","","","","","","1.034","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032570","9.4911","0.0002","13.2075","0.0002","15.3206","0.0003","90","","94.468","0.001","90","","1914.66","0.06","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C42 H34 N4 O10 S2 -","- C42 H34 N4 O10 S2 -","- C84 H68 N8 O20 S4 -","2","0.5","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0727","0.0436","","","0.0942","0.1084","","","","","","1.014","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032571","18.9139","0.0002","14.1757","0.0002","17.3955","0.0002","90","","93.736","0.001","90","","4654.13","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 O4 -","- C30 H26 O4 -","- C240 H208 O32 -","8","2","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0848","0.0466","","","0.0995","0.1237","","","","","","0.929","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032572","12.3737","0.0004","23.7481","0.0006","14.264","0.0004","90","","91.626","0.002","90","","4189.8","0.2","100.1","0.6","100.1","0.6","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H42 Cl2 N2 O6 S2 -","- C45 H42 Cl2 N2 O6 S2 -","- C180 H168 Cl8 N8 O24 S8 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0655","0.0543","","","0.1553","0.1649","","","","","","1.07","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032573","8.6815","0.0003","31.3302","0.0011","11.5111","0.0004","90","","105.121","0.003","90","","3022.54","0.19","144","3","144","3","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H36 N2 O8 -","- C36 H36 N2 O8 -","- C144 H144 N8 O32 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","1.54178","CuKα","","0.0503","0.0393","","","0.0929","0.0977","","","","","","1.098","","","","has coordinates","199586","2020-10-21","18:00:00",""
"4032575","8.1568","0.0001","10.0681","0.0006","11.0261","0.0004","63.31","0.03","68.71","0.03","66.74","0.03","724","0.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H32 N2 O4 -","- C38 H32 N2 O4 -","- C38 H32 N2 O4 -","1","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.0601","0.0566","","","0.1531","0.1545","","","","","","1.172","","","","has coordinates","200682","2020-10-21","18:00:00",""
"4032576","8.1443","0.0016","18.723","0.004","14.403","0.003","90","","98.79","0.03","90","","2170.5","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H48 N4 O8 -","- C52 H48 N4 O8 -","- C104 H96 N8 O16 -","2","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.035","0.0334","","","0.0855","0.0866","","","","","","1.04","","","","has coordinates","200682","2020-10-21","18:00:00",""
"4032579","10.119","0.002","11.447","0.002","16.905","0.003","76.716","0.004","84.104","0.004","75.228","0.004","1840.7","0.6","296","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 Cl N O2 -","- C23 H16 Cl N O2 -","- C92 H64 Cl4 N4 O8 -","4","2","","Mao, Xiao-Feng; Zhu, Xiao-Ping; Li, Deng-Yuan; Liu, Pei-Nian","Cu-Catalyzed Cascade Annulation of Alkynols with 2-Azidobenzaldehydes: Access to 6H-Isochromeno[4,3-c]quinoline.","The Journal of organic chemistry","2017","82","13","7032","7039","10.1021/acs.joc.7b00937","","","0.71073","MoKα","","0.099","0.0633","","","0.1818","0.2121","","","","","","1.039","","","","has coordinates","200687","2020-10-21","18:00:00",""
"4032580","8.5801","0.0007","10.7907","0.0009","27.2","0.003","90","","93.515","0.001","90","","2513.6","0.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl N O4 S -","- C30 H22 Cl N O4 S -","- C120 H88 Cl4 N4 O16 S4 -","4","1","","Li, Jie; Zhang, Wen-Wen; Wei, Xiao-Jing; Liu, Feng; Hao, Wen-Juan; Wang, Shu-Liang; Li, Guigen; Tu, Shu-Jiang; Jiang, Bo","Radical Deaminative ipso-Cyclization of 4-Methoxyanilines with 1,7-Enynes for Accessing Spirocyclohexadienone-Containing Cyclopenta[c]quinolin-4-ones.","The Journal of organic chemistry","2017","82","13","6621","6628","10.1021/acs.joc.7b00704","","","0.71073","MoKα","","0.26","0.0851","","","0.1098","0.1364","","","","","","0.91","","","","has coordinates","200680","2020-10-21","18:00:00",""
"4032583","9.9808","0.0006","19.662","0.0008","11.5438","0.0007","90","","90.534","0.006","90","","2265.3","0.2","293.6","0.4","293.6","0.4","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 O7 -","- C24 H28 O7 -","- C96 H112 O28 -","4","1","","Zheng, Lan; Liang, Yong-Min","Copper-Catalyzed [2 + 2 + 3] Annulation of 1,6-Enynes with α-Bromo-1,3-Dicarbonyl Compounds: Synthesis of Dihydrooxepines.","The Journal of organic chemistry","2017","82","13","7000","7007","10.1021/acs.joc.7b00879","","x-ray","0.71073","MoKα","","0.1043","0.058","","","0.1309","0.161","","","","","","1.051","","","","has coordinates","200683","2020-10-21","18:00:00",""
"4032584","11.325","0.002","11.6605","0.0019","11.833","0.002","67.547","0.016","63.377","0.019","67.27","0.019","1246.5","0.4","289.69","0.1","289.69","0.1","","","","","","","","6","P -1","-P 1","2","","","","- C26 H28 Br N O5 S -","- C26 H28 Br N O5 S -","- C52 H56 Br2 N2 O10 S2 -","2","1","","Zheng, Lan; Liang, Yong-Min","Copper-Catalyzed [2 + 2 + 3] Annulation of 1,6-Enynes with α-Bromo-1,3-Dicarbonyl Compounds: Synthesis of Dihydrooxepines.","The Journal of organic chemistry","2017","82","13","7000","7007","10.1021/acs.joc.7b00879","","x-ray","0.71073","MoKα","","0.0931","0.0534","","","0.0995","0.1176","","","","","","1.057","","","","has coordinates","200683","2020-10-21","18:00:00",""
"4032585","6.6306","0.0009","40.05","0.006","7.2452","0.001","90","","114.048","0.002","90","","1757","0.4","294","2","294","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O5 S -","- C18 H21 N O5 S -","- C72 H84 N4 O20 S4 -","4","1","","Anugu, Raghunath Reddy; Chegondi, Rambabu","Tunable Diastereoselective Desymmetrization of Cyclohexadienones Triggered by Copper-Catalyzed Three-Component Coupling Reaction.","The Journal of organic chemistry","2017","82","13","6786","6794","10.1021/acs.joc.7b00936","","","0.71073","MoKα","","0.0854","0.0791","","","0.1655","0.1688","","","","","","1.285","","","","has coordinates","200686","2020-10-21","18:00:00",""
"4032586","13.157","0.003","8.3944","0.0017","17.171","0.003","90","","90.06","0.03","90","","1896.5","0.7","173.15","","173.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 N O P -","- C25 H18 N O P -","- C100 H72 N4 O4 P4 -","4","1","","Guo, Wei-Si; Dou, Qian; Hou, Jian; Wen, Li-Rong; Li, Ming","Synthesis of 6-Phosphorylated Phenanthridines by Mn(II)-Promoted Tandem Reactions of 2-Biaryl Isothiocyanates with Phosphine Oxides.","The Journal of organic chemistry","2017","82","13","7015","7022","10.1021/acs.joc.7b00907","","","0.71073","MoKα","","0.0723","0.0635","","","0.1444","0.1495","","","","","","1.134","","","","has coordinates","200685","2020-10-21","18:00:00",""
"4032587","20.772","0.002","7.4286","0.0008","18.5851","0.0017","90","","90","","90","","2867.8","0.5","296","2","296","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C144 H144 O16 -","8","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.1256","0.0908","","","0.2756","0.3111","","","","","","1.049","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032588","11.399","0.002","11.51","0.002","19.44","0.004","74.294","0.004","85.627","0.005","65.942","0.004","2240.4","0.7","99","2","99","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H25 F O2 -","- C30 H25 F O2 -","- C120 H100 F4 O8 -","4","2","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0781","0.0469","","","0.0968","0.1123","","","","","","1.017","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4032589","7.0295","0.0006","9.8296","0.0008","11.707","0.0009","101.647","0.005","105.413","0.005","103.993","0.005","725.41","0.11","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C36 H36 O4 -","2","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0935","0.0596","","","0.1507","0.1873","","","","","","1.131","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032590","7.624","0.0007","23.566","0.002","8.4581","0.0007","90","","93.5","0.005","90","","1516.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 O3 -","- C19 H20 O3 -","- C76 H80 O12 -","4","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0531","0.0399","","","0.1131","0.1345","","","","","","1.108","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032591","8.1071","0.0006","9.3064","0.0007","22.2481","0.0017","90","","90","","90","","1678.6","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 F O2 -","- C20 H21 F O2 -","- C80 H84 F4 O8 -","4","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0483","0.0402","","","0.1101","0.1287","","","","","","1.104","","","","has coordinates","199583","2020-10-21","18:00:00",""
"4032592","5.4384","0.0009","7.1721","0.0012","22.371","0.003","90","","94.674","0.009","90","","869.7","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H24 O3 -","- C21 H24 O3 -","- C42 H48 O6 -","2","1","","Chan, Chieh-Kai; Hsueh, Nai-Chen; Tsai, Yu-Lin; Chang, Meng-Yang","Bi(OTf)3-Mediated Intramolecular Olefinic Cyclization: Synthesis of Substituted Aryl-Dihydronaphthalenes and Indenes.","The Journal of organic chemistry","2017","82","13","7077","7084","10.1021/acs.joc.7b01278","","","0.71073","MoKα","","0.0554","0.0469","","","0.1252","0.1431","","","","","","1.13","","","","has coordinates,has disorder","199583","2020-10-21","18:00:00",""
"4032593","8.748","0.0006","24.241","0.0013","9.1766","0.0006","90","","118.248","0.002","90","","1714.24","0.19","297.1","","297","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H25 Br N2 -","- C17 H25 Br N2 -","- C68 H100 Br4 N8 -","4","1","","Figliola, Carlotta; Robertson, Katherine N.; Greening, Sarah; Thompson, Alison","Asymmetric Dipyrrin and F-BODIPYs Conjugated to Terminal Alkynes and Alkenes.","The Journal of organic chemistry","2017","82","13","7059","7064","10.1021/acs.joc.7b01129","","","0.7107","MoKα","","","0.0492","","","","0.06","","","","","","1.063","","","","has coordinates","200684","2020-10-21","18:00:00",""
"4032594","7.727","0.004","10.325","0.005","12.026","0.005","103.002","0.005","102.154","0.005","102.174","0.005","879.7","0.7","125","2","125","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H44 Br2 Cl2 N4 -","- C35 H44 Br2 Cl2 N4 -","- C35 H44 Br2 Cl2 N4 -","1","0.5","","Figliola, Carlotta; Robertson, Katherine N.; Greening, Sarah; Thompson, Alison","Asymmetric Dipyrrin and F-BODIPYs Conjugated to Terminal Alkynes and Alkenes.","The Journal of organic chemistry","2017","82","13","7059","7064","10.1021/acs.joc.7b01129","","","0.71073","MoKα","","0.1236","0.0883","","","0.2218","0.2454","","","","","","1.081","","","","has coordinates","200684","2020-10-21","18:00:00",""
"4032595","8.51","0.0008","11.4993","0.001","12.8103","0.0011","86.11","0.003","72.9","0.003","79.733","0.003","1178.84","0.18","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 F2 O3 Si2 -","- C26 H28 F2 O3 Si2 -","- C52 H56 F4 O6 Si4 -","2","1","","Diemoz, Kayla M.; Hein, Jason E.; Wilson, Sean O.; Fettinger, James C.; Franz, Annaliese K.","Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as Hydrogen-Bonding Catalysts.","The Journal of organic chemistry","2017","82","13","6738","6747","10.1021/acs.joc.7b00875","","","0.71073","MoKα","","0.03","0.0287","","","0.0812","0.082","","","","","","1.059","","","","has coordinates","200681","2020-10-21","18:00:00",""
"4032596","8.843","0.004","16.849","0.008","14.023","0.004","90","","104.22","0.011","90","","2025.3","1.5","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 I N O5 S -","- C20 H18 I N O5 S -","- C80 H72 I4 N4 O20 S4 -","4","1","","Raji Reddy, Chada; Ranjan, Ravi; Prajapti, Santosh Kumar; Warudikar, Kamalkishor","One-Pot Consecutive Sulfonamidation/ipso-Cyclization Strategy for the Construction of Azaspirocyclohexadienones.","The Journal of organic chemistry","2017","82","13","6932","6939","10.1021/acs.joc.7b01285","","","0.71073","MoKα","","0.0356","0.0313","","","0.0794","0.0825","","","","","","1.095","","","","has coordinates","200688","2020-10-21","18:00:00",""
"4032597","10.0406","0.0005","11.206","0.0005","17.3743","0.0009","90","","101.078","0.003","90","","1918.44","0.16","296","2","296.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 O S -","- C23 H17 N3 O S -","- C92 H68 N12 O4 S4 -","4","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed Arylation and Intramolecular Amidation of γ-C(sp(3))-H Bonds: En Route to Arylheteroarylmethane and Pyrrolidone Ring Annulated Furan/Thiophene Scaffolds.","The Journal of organic chemistry","2017","82","14","7123","7150","10.1021/acs.joc.7b00582","","","0.71073","MoKα","","0.048","0.0399","","","0.1172","0.1225","","","","","","1.31","","","","has coordinates","200692","2020-10-21","18:00:00",""
"4032598","8.417","0.002","8.741","0.002","11.876","0.003","101.49","0.004","100.828","0.004","94.569","0.003","834.8","0.3","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 N2 O S -","- C21 H14 N2 O S -","- C42 H28 N4 O2 S2 -","2","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed Arylation and Intramolecular Amidation of γ-C(sp(3))-H Bonds: En Route to Arylheteroarylmethane and Pyrrolidone Ring Annulated Furan/Thiophene Scaffolds.","The Journal of organic chemistry","2017","82","14","7123","7150","10.1021/acs.joc.7b00582","","","0.71073","MoKα","","0.1046","0.0519","","","0.1137","0.1348","","","","","","0.927","","","","has coordinates","200692","2020-10-21","18:00:00",""
"4032599","16.978","0.005","11.307","0.003","18.072","0.005","90","","100.741","0.015","90","","3408.5","1.7","293","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H19 N O2 S -","- C20 H19 N O2 S -","- C160 H152 N8 O16 S8 -","8","1","","Mishra, Uttam K.; Yadav, Sonu; Ramasastry, S. S. V.","One-Pot Multicatalytic Approaches for the Synthesis of Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.","The Journal of organic chemistry","2017","82","13","6729","6737","10.1021/acs.joc.7b00865","","","0.71073","MoKα","","0.0987","0.0708","","","0.1921","0.227","","","","","","1.2877","","","","has coordinates","199584","2020-10-21","18:00:00",""
"4032600","9.618","0.0008","9.7192","0.0008","16.7262","0.0013","90","","98.072","0.007","90","","1548.1","0.2","123","","123","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 -","- C20 H20 N2 -","- C80 H80 N8 -","4","1","","Sasaki, Shunsuke; Suzuki, Satoshi; Igawa, Kazunobu; Morokuma, Keiji; Konishi, Gen-Ichi","The K-Region in Pyrenes as a Key Position to Activate Aggregation-Induced Emission: Effects of Introducing Highly Twisted N,N-Dimethylamines.","The Journal of organic chemistry","2017","82","13","6865","6873","10.1021/acs.joc.7b00996","","","1.54187","CuKα","","0.1056","0.0912","","","0.3098","0.3294","","","","","","1.06","","","","has coordinates","200689","2020-10-21","18:00:00",""
"4032603","8.293","0.001","11.225","0.002","14.319","0.002","90","","102.805","0.002","90","","1299.8","0.3","103","1","103","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O -","- C16 H19 N O -","- C64 H76 N4 O4 -","4","1","","Lankri, David; Albarghouti, Ghassan; Mahameed, Mohamed; Tsvelikhovsky, Dmitry","Multifaceted α-Enaminone: Adaptable Building Block for Synthesis of Heterocyclic Scaffolds Through Conceptually Distinct 1,2-, 1,3-, 1,4-, and C-O Bond Forming Annulations.","The Journal of organic chemistry","2017","82","14","7101","7113","10.1021/acs.joc.7b00516","","","0.71073","MoKα","","0.0526","0.0507","","","0.1193","0.1207","","","","","","1.111","","","","has coordinates","200695","2020-10-21","18:00:00",""
"4032604","8.082","0.001","12.55","0.002","13.607","0.002","90","","90","","90","","1380.1","0.3","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 N O -","- C17 H19 N O -","- C68 H76 N4 O4 -","4","1","","Lankri, David; Albarghouti, Ghassan; Mahameed, Mohamed; Tsvelikhovsky, Dmitry","Multifaceted α-Enaminone: Adaptable Building Block for Synthesis of Heterocyclic Scaffolds Through Conceptually Distinct 1,2-, 1,3-, 1,4-, and C-O Bond Forming Annulations.","The Journal of organic chemistry","2017","82","14","7101","7113","10.1021/acs.joc.7b00516","","","0.71073","MoKα","","0.042","0.0404","","","0.1006","0.1025","","","","","","1.051","","","","has coordinates","200695","2020-10-21","18:00:00",""
"4032608","24.9098","0.0006","14.0779","0.0004","14.5291","0.0003","90","","103.643","0.002","90","","4951.3","0.2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H23 Br2 N3 O4 -","- C25 H23 Br2 N3 O4 -","- C200 H184 Br16 N24 O32 -","8","1","","González, Juan F; Rocchi, Damiano; Tejero, Tomás; Merino, Pedro; Menéndez, J Carlos","One-Pot Synthesis of Functionalized Carbazoles via a CAN-Catalyzed Multicomponent Process Comprising a C-H Activation Step.","The Journal of organic chemistry","2017","82","14","7492","7502","10.1021/acs.joc.7b01199","","","1.54178","CuKα","","0.0751","0.0469","","","0.1147","0.1306","","","","","","1.031","","","","has coordinates","200693","2020-10-21","18:00:00",""
"4032609","14.2417","0.0007","10.5901","0.0005","25.0529","0.0013","90","","92.0537","0.0008","90","","3776.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H44 N2 O4 -","- C48 H44 N2 O4 -","- C192 H176 N8 O16 -","4","1","","Wang, Chuan-Zeng; Ichiyanagi, Hisashi; Sakaguchi, Koya; Feng, Xing; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-Based Approach to Tune Emission Color from Blue to Yellow.","The Journal of organic chemistry","2017","82","14","7176","7182","10.1021/acs.joc.7b00685","","","0.71073","MoKα","","0.0708","0.0546","","","0.149","0.1648","","","","","","1.035","","","","has coordinates,has disorder","200694","2020-10-21","18:00:00",""
"4032610","25.7192","0.0016","9.835","0.0007","21.2755","0.0015","90","","120.041","0.002","90","","4658.7","0.6","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 Cl N2 O1.5 -","- C23 H29 Cl N2 O1.5 -","- C184 H232 Cl8 N16 O12 -","8","1","","Dunn, Michelle H.; Konstandaras, Nicholas; Cole, Marcus L.; Harper, Jason B.","Targeted and Systematic Approach to the Study of pKa Values of Imidazolium Salts in Dimethyl Sulfoxide.","The Journal of organic chemistry","2017","82","14","7324","7331","10.1021/acs.joc.7b00716","","x-ray","0.71073","MoKα","","0.0965","0.0636","","","0.1721","0.1925","","","","","","1.025","","","","has coordinates","200697","2020-10-21","18:00:00",""
"4032611","9.2129","0.0007","16.459","0.0013","19.8551","0.0016","107.842","0.0014","98.547","0.0014","98.6723","0.0013","2771.8","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38.5 H25 Cl O4 -","- C38.5 H25 Cl O4 -","- C154 H100 Cl4 O16 -","4","2","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0786","0.0497","","","0.1169","0.1319","","","","","","1.023","","","","has coordinates,has disorder","200699","2020-10-21","18:00:00",""
"4032612","10.6484","0.0004","33.8001","0.0013","7.8681","0.0003","90","","109.035","0.0014","90","","2677.01","0.18","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O5 -","- C36 H24 O5 -","- C144 H96 O20 -","4","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0626","0.0458","","","0.1188","0.1299","","","","","","1.042","","","","has coordinates","200699","2020-10-21","18:00:00",""
"4032613","8.1248","0.0008","21.0141","0.0018","11.2657","0.0011","90","","99.032","0.003","90","","1899.6","0.3","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 -","- C26 H28 -","- C104 H112 -","4","1","","Álvarez-Pérez, Mónica; Frutos, María; Viso, Alma; Fernández de la Pradilla, Roberto; de la Torre, María C; Sierra, Miguel A.; Gornitzka, Heinz; Hemmert, Catherine","Gold(I)-Catalyzed Cycloisomerization-Dimerization Cascade of Benzene-Tethered 1,6-Enynes.","The Journal of organic chemistry","2017","82","14","7546","7554","10.1021/acs.joc.7b01273","","","0.71073","MoKα","","0.0961","0.0496","","","0.1002","0.1174","","","","","","1.018","","","","has coordinates","199585","2020-10-21","18:00:00",""
"4032614","7.5298","0.0018","9.348","0.002","21.33","0.005","90","","97.807","0.005","90","","1487.5","0.6","205","","205","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F2 O4 -","- C16 H16 F2 O4 -","- C64 H64 F8 O16 -","4","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","0.71073","MoKα","","0.0769","0.0507","","","0.1366","0.156","","","","","","1.037","","","","has coordinates","200696","2020-10-21","18:00:00",""
"4032615","8.2959","0.0002","8.2959","0.0002","45.7622","0.0011","90","","90","","90","","3149.44","0.13","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 F2 O2 -","- C19 H18 F2 O2 -","- C152 H144 F16 O16 -","8","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0343","0.0318","","","0.076","0.0774","","","","","","1.073","","","","has coordinates","200696","2020-10-21","18:00:00",""
"4032616","8.2655","0.0002","8.2655","0.0002","45.8542","0.0013","90","","90","","90","","3132.69","0.14","173","","173","","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C19 H18 F2 O2 -","- C19 H18 F2 O2 -","- C152 H144 F16 O16 -","8","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0458","0.0438","","","0.118","0.1201","","","","","","1.069","","","","has coordinates,has disorder","200696","2020-10-21","18:00:00",""
"4032617","12.3744","0.0002","17.1213","0.0004","7.8002","0.0002","90","","98.987","0.001","90","","1632.31","0.06","173.1","","173.01","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 F3 O3 -","- C19 H16 F3 O3 -","- C76 H64 F12 O12 -","4","1","","Li, Jie; Xue, Yu; Fan, Zhoulong; Ding, Chunyong; Zhang, Ao","Difluorination of Furonaphthoquinones.","The Journal of organic chemistry","2017","82","14","7388","7393","10.1021/acs.joc.7b01064","","","1.54178","CuKα","","0.0516","0.0489","","","0.1452","0.1492","","","","","","1.045","","","","has coordinates,has disorder","200696","2020-10-21","18:00:00",""
"4032618","10.233","0.002","11.859","0.002","12.572","0.003","103.61","0.03","95.99","0.03","96.67","0.03","1459","0.6","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C39 H30 Cl2 O2 -","- C39 H30 Cl2 O2 -","- C78 H60 Cl4 O4 -","2","1","","Fang, Lei; Li, Meng; Lin, Wei-Bin; Shen, Yun; Chen, Chuan-Feng","Synthesis, Structures, and Photophysical Properties of Optically Stable 1,16-Diphenyl-3,14-diaryl-Substituted Tetrahydrobenzo[5]helicenediol Derivatives: Enantioselective Recognition toward Tryptophan Methyl Esters.","The Journal of organic chemistry","2017","82","14","7402","7409","10.1021/acs.joc.7b01087","","","0.71073","MoKα","","0.1445","0.1211","","","0.3053","0.3223","","","","","","1.152","","","","has coordinates,has disorder","200691","2020-10-21","18:00:00",""
"4032626","6.716","0.0005","12.7198","0.0009","15.1029","0.0011","90","","93.274","0.004","90","","1288.08","0.16","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C60 H80 O12 -","4","1","","Kalmode, Hanuman P.; Handore, Kishor L.; Reddy, D. Srinivasa","Access to Fused Tricyclic γ-Butyrolactones, A Natural Product-like Scaffold.","The Journal of organic chemistry","2017","82","14","7614","7620","10.1021/acs.joc.7b00794","","","0.71073","MoKα","","0.0748","0.0556","","","0.1318","0.1419","","","","","","1.031","","","","has coordinates","200690","2020-10-21","18:00:00",""
"4032627","13.8806","0.0007","8.3368","0.0004","10.7495","0.0005","90","","106.976","0.002","90","","1189.73","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O3 -","- C14 H18 O3 -","- C56 H72 O12 -","4","1","","Kalmode, Hanuman P.; Handore, Kishor L.; Reddy, D. Srinivasa","Access to Fused Tricyclic γ-Butyrolactones, A Natural Product-like Scaffold.","The Journal of organic chemistry","2017","82","14","7614","7620","10.1021/acs.joc.7b00794","","","0.71073","MoKα","","0.047","0.0385","","","0.0953","0.1004","","","","","","1.089","","","","has coordinates","200690","2020-10-21","18:00:00",""
"4032630","11.538","0.0004","7.1373","0.0003","13.3704","0.0005","90","","105.677","0.004","90","","1060.1","0.07","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C18 H25 Cu F6 N3 P -","- C18 H25 Cu F6 N3 P -","- C36 H50 Cu2 F12 N6 P2 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0381","0.0347","","","0.0937","0.0971","","","","","","1.067","","","","has coordinates","200701","2020-10-21","18:00:00",""
"4032631","7.7369","0.0004","12.5096","0.0006","13.5497","0.0005","100.056","0.003","95.648","0.004","100.226","0.004","1259.37","0.1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C18 H26 Cu F6 N2 O8 S2 -","- C18 H26 Cu F6 N2 O8 S2 -","- C36 H52 Cu2 F12 N4 O16 S4 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0748","0.0528","","","0.1231","0.1291","","","","","","0.99","","","","has coordinates,has disorder","200701","2020-10-21","18:00:00",""
"4032632","6.82057","0.00013","11.84181","0.00017","43.3692","0.0007","90","","90","","90","","3502.84","0.1","110","2","110","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C32 H51 Cu F6 N3 O2 P -","- C32 H51 Cu F6 N3 O2 P -","- C128 H204 Cu4 F24 N12 O8 P4 -","4","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0414","0.0386","","","0.104","0.1063","","","","","","1.04","","","","has coordinates","200701","2020-10-21","18:00:00",""
"4032633","12.91725","0.0001","17.87891","0.00015","22.3041","0.0002","90","","102.634","0.0008","90","","5026.33","0.07","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C52.56 H73.11 Cu F6 N4 O2.85 P -","- C52.556 H73.112 Cu F6 N4 O2.852 P -","- C210.224 H292.448 Cu4 F24 N16 O11.408 P4 -","4","2","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0379","0.036","","","0.096","0.0979","","","","","","1.031","","","","has coordinates,has disorder","200701","2020-10-21","18:00:00",""
"4032642","8.7997","0.0004","10.3121","0.0005","15.5615","0.0009","90","","90","","90","","1412.1","0.12","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Lu, Jia-Tian; Shi, Zi-Fa; Cao, Xiao-Ping","Total Synthesis of (-)-Chanoclavine I and an Oxygen-Substituted Ergoline Derivative.","The Journal of organic chemistry","2017","82","15","7774","7782","10.1021/acs.joc.7b00573","","","0.71073","MoKα","","0.095","0.0593","","","0.1082","0.1324","","","","","","1.099","","","","has coordinates","200702","2020-10-21","18:00:00",""
"4032643","16.635","0.002","11.1334","0.0014","19.245","0.003","90","","90.581","0.003","90","","3564.1","0.8","173","","173","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C42 F28 -","- C42 F28 -","- C168 F112 -","4","1","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.0734","","","","0.1222","","","","","","1.29","","","","has coordinates","200704","2020-10-21","18:00:00",""
"4032644","15.5207","0.0019","28.081","0.004","7.3931","0.0009","90","","90","","90","","3222.2","0.7","173","","173","","","","","","","","","3","P n n a","-P 2a 2bc","52","","","","- C42 H14 F14 -","- C42 H14 F14 -","- C168 H56 F56 -","4","0.5","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.0748","","","","0.1008","","","","","","1.243","","","","has coordinates","200704","2020-10-21","18:00:00",""
"4032646","8.624","0.003","10.522","0.003","10.648","0.003","65.64","0.03","71.71","0.03","85.02","0.02","834.7","0.5","298.84","0.1","298.84","0.1","","","","","","","","4","P -1","-P 1","2","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C42 H30 N6 O2 -","2","1","","Cheng, Bin; Zu, Bing; Bao, Bian; Li, Yun; Wang, Renqi; Zhai, Hongbin","Synthesis of Spiro[indazole-3,3'-indolin]-2'-ones via [3 + 2] Dipolar Cycloaddition of Arynes with 3-Diazoindolin-2-ones and Indazolo[2,3-c]quinazolin-6(5H)-ones by Subsequent Thermal Isomerization.","The Journal of organic chemistry","2017","82","15","8228","8233","10.1021/acs.joc.7b00990","","x-ray","0.71073","MoKα","","0.0973","0.0614","","","0.1507","0.1898","","","","","","1.016","","","","has coordinates","200706","2020-10-21","18:00:00",""
"4032647","13.8956","0.0011","15.1725","0.001","18.2472","0.0009","90","","102.099","0.007","90","","3761.6","0.4","293.26","0.1","293.26","0.1","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C21 H15 N3 O -","- C21 H15 N3 O -","- C168 H120 N24 O8 -","8","1","","Cheng, Bin; Zu, Bing; Bao, Bian; Li, Yun; Wang, Renqi; Zhai, Hongbin","Synthesis of Spiro[indazole-3,3'-indolin]-2'-ones via [3 + 2] Dipolar Cycloaddition of Arynes with 3-Diazoindolin-2-ones and Indazolo[2,3-c]quinazolin-6(5H)-ones by Subsequent Thermal Isomerization.","The Journal of organic chemistry","2017","82","15","8228","8233","10.1021/acs.joc.7b00990","","x-ray","0.71073","MoKα","","0.1237","0.0714","","","0.1884","0.2182","","","","","","0.98","","","","has coordinates","200706","2020-10-21","18:00:00",""
"4032648","7.3877","0.0001","7.8178","0.0001","19.8494","0.0002","90","","90","","90","","1146.41","0.02","150","","150","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0303","0.0299","","0.0555","0.0553","0.0555","","","","","","0.999","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032649","7.4666","0.0002","12.0831","0.0005","10.8645","0.0004","90","","90","","90","","980.19","0.06","150","","150","","","","","","","","locsl","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.055","0.0471","","0.1082","0.1041","0.1082","","","","","","0.9946","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032650","14.7787","0.0004","14.7787","0.0004","7.6213","0.0002","90","","90","","120","","1441.56","0.07","150","","150","","","","","","","","local","3","P 65","P 65","170","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C60 H72 O12 -","6","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.048","0.045","","0.111","0.1099","0.111","","","","","","1.0274","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032651","6.26451","0.00004","12.09608","0.00009","20.26568","0.00014","90","","90","","90","","1535.65","0.018","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0249","0.0244","","0.0623","0.0618","0.0623","","","","","","1.0035","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032652","6.4307","0.0001","8.7685","0.0001","26.1929","0.0002","90","","90","","90","","1476.95","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 O4 -","- C16 H22 O4 -","- C64 H88 O16 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0249","0.0243","","0.0626","0.0621","0.0626","","","","","","1.004","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032653","7.43","0.0003","9.7667","0.0003","12.1277","0.0003","90","","92.279","0.003","90","","879.37","0.05","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C18 H24 O5 -","- C18 H24 O5 -","- C36 H48 O10 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0409","0.0378","","0.0926","0.091","0.0926","","","","","","1.0179","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032654","25.6494","0.0007","14.1949","0.0004","6.2343","0.0002","90","","90","","90","","2269.85","0.12","150","","150","","","","","","","","local","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H36 O4 Si -","- C22 H36 O4 Si -","- C88 H144 O16 Si4 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0506","0.0448","","0.1019","0.0997","0.1019","","","","","","1.039","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032655","19.9195","0.0006","11.6626","0.0003","8.7386","0.0002","90","","90","","90","","2030.09","0.09","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0451","0.0407","","0.1007","0.0984","0.1007","","","","","","1.0325","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032656","8.9344","0.0002","15.4099","0.0003","14.9268","0.0003","90","","90","","90","","2055.1","0.07","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O5 -","- C23 H26 O5 -","- C92 H104 O20 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0461","0.0423","","0.1117","0.1097","0.1117","","","","","","1.0364","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032657","7.3238","0.0001","7.5553","0.0001","14.5389","0.0002","90","","90","","90","","804.488","0.019","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C36 H48 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0229","0.0226","","0.0568","0.0565","0.0568","","","","","","0.9982","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032658","18.9377","0.0005","6.2442","0.0001","14.6275","0.0005","90","","105.95","0.003","90","","1663.12","0.08","150","","150","","","","","","","","local","4","C 1 2 1","C 2y","5","","","","- C15 H26 O3 Si -","- C15 H26 O3 Si -","- C60 H104 O12 Si4 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0344","0.0319","","0.0802","0.0787","0.0802","","","","","","0.9905","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032659","8.2335","0.00007","8.68949","0.00008","23.6396","0.0002","90","","90","","90","","1691.29","0.03","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C9 H12 O3 -","- C9 H12 O3 -","- C72 H96 O24 -","8","2","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0405","0.0395","","0.1123","0.1113","0.1123","","","","","","1.0111","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032660","18.3637","0.0001","14.1093","0.0001","12.0122","0.0001","90","","90","","90","","3112.35","0.04","150","","150","","","","","","","","local","4","P 21 21 2","P 2 2ab","18","","","","- C14 H26 O2 Si -","- C14 H26 O2 Si -","- C112 H208 O16 Si8 -","8","2","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.025","0.0248","","0.0668","0.0666","0.0668","","","","","","1.01","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032661","7.27015","0.00005","11.05109","0.00008","13.78627","0.00009","90","","90","","90","","1107.63","0.013","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0224","0.0221","","0.0572","0.057","0.0572","","","","","","1.006","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032662","7.2003","0.0002","8.4682","0.0002","9.4258","0.0003","90","","91.1279","0.0017","90","","574.61","0.03","200","","200","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C13 H16 O3 -","- C13 H16 O3 -","- C26 H32 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","0.71073","MoKα","","0.0509","0.0478","","0.1564","0.1524","0.1564","","","","","","1.0289","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032663","8.4949","0.0004","5.9702","0.0002","9.384","0.0004","90","","95.383","0.004","90","","473.82","0.03","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0465","0.0454","","0.1297","0.1288","0.1297","","","","","","1.0281","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032664","7.8054","0.0001","9.792","0.0001","11.058","0.0001","90","","90","","90","","845.168","0.016","150","","150","","","","","","","","local","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C40 H48 O8 -","4","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0228","0.0223","","0.0566","0.0562","0.0566","","","","","","1.0076","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032665","6.9303","0.0002","7.7696","0.0002","8.6272","0.0002","90","","92.403","0.002","90","","464.13","0.02","150","","150","","","","","","","","local","3","P 1 21 1","P 2yb","4","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C22 H24 O6 -","2","1","","Yan, Qiao; Bolte, Benoit; Bai, Yuhua; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","Studies on the Photochemical Rearrangements of Enantiomerically Pure, Polysubstituted, and Variously Annulated Bicyclo[2.2.2]octenones.","The Journal of organic chemistry","2017","82","15","8008","8022","10.1021/acs.joc.7b01243","","","1.54184","CuKα","","0.0375","0.0373","","0.1167","0.1161","0.1167","","","","","","1.0436","","","","has coordinates","200700","2020-10-21","18:00:00",""
"4032667","13.9873","0.0003","18.0922","0.0005","20.9655","0.0005","79.205","0.002","72.753","0.002","76.769","0.002","4891.6","0.2","100","","100","2","","","","","","","","6","P -1","-P 1","2","Expanded porphyrin","Ethynylene linked [40] Figure-eight Octaphyrin","","- C98 H62 F16 N4 O5 S4 -","- C97.5 H62 F16 N4 O5 S4 -","- C195 H124 F32 N8 O10 S8 -","2","1","","Sahoo, Krushna Chandra; Majewski, Marcin A.; Stępień, Marcin; Rath, Harapriya","Ethynylene-linked Figure-Eight Octaphyrin(1.2.1.1.1.2.1.1): Synthesis and Characterization of Its Two Oxidation States.","The Journal of organic chemistry","2017","82","15","8317","8322","10.1021/acs.joc.7b01592","","","0.71073","MoKα","","0.1106","0.0888","","","0.2321","0.2519","","","","","","1.022","","","","has coordinates","200703","2020-10-21","18:00:00",""
"4032668","34.451","0.0004","27.1978","0.0004","9.5573","0.0001","90","","90","","90","","8955.11","0.19","150","","150","","","","","","","","local","5","F d d 2","F 2 -2d","43","","","","- C24 H31 N O4 Si -","- C24 H31 N O4 Si -","- C384 H496 N16 O64 Si16 -","16","1","","Ma, Xiang; Gao, Nadia; Banwell, Martin G.; Carr, Paul D.; Willis, Anthony C.","A Total Synthesis of (±)-3-O-Demethylmacronine through Rearrangement of a Precursor Embodying the Haemanthidine Alkaloid Framework.","The Journal of organic chemistry","2017","82","8","4336","4341","10.1021/acs.joc.7b00340","","","1.54184","CuKα","","0.0347","0.0338","","0.0891","0.0884","0.0891","","","","","","1.0021","","","","has coordinates","199581","2020-10-21","18:00:00",""
"4032670","17.1576","0.0006","12.2955","0.0006","3.8213","0.0002","90","","90","","90","","806.15","0.06","150","","150","","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H8 N2 -","- C11 H8 N2 -","- C44 H32 N8 -","4","1","","Yan, Qiao; Gin, Emma; Banwell, Martin G.; Willis, Anthony C.; Carr, Paul D.","A Unified Approach to the Isomeric α-, β-, γ-, and δ-Carbolines via their 6,7,8,9-Tetrahydro Counterparts.","The Journal of organic chemistry","2017","82","8","4328","4335","10.1021/acs.joc.7b00323","","","1.54184","CuKα","","0.0338","0.0323","","0.0619","0.0605","0.0619","","","","","","1","","","","has coordinates","199582","2020-10-21","18:00:00",""
"4032676","10.14845","0.00009","10.61199","0.00007","10.80864","0.0001","90","","106.88","0.0009","90","","1113.89","0.017","150","","150","","","","","","","","local","4","P 1 21 1","P 2yb","4","","","","- C23 H31 N O7 -","- C23 H31 N O7 -","- C46 H62 N2 O14 -","2","1","","Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.","The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.","The Journal of organic chemistry","2017","82","15","7869","7886","10.1021/acs.joc.7b01062","","","1.54184","CuKα","","0.0263","0.0258","","0.0669","0.0663","0.0669","","","","","","1.0262","","","","has coordinates","200705","2020-10-21","18:00:00",""
"4032678","10.333","0.003","10.854","0.003","11.479","0.003","94.95","0.004","111.217","0.007","106.268","0.01","1126.5","0.5","298","","298","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H24 Cl N O2 S -","- C26 H24 Cl N O2 S -","- C52 H48 Cl2 N2 O4 S2 -","2","1","","Mishra, Uttam K.; Yadav, Sonu; Ramasastry, S. S. V.","One-Pot Multicatalytic Approaches for the Synthesis of Cyclohepta[b]indoles, Indolotropones, and Tetrahydrocarbazoles.","The Journal of organic chemistry","2017","82","13","6729","6737","10.1021/acs.joc.7b00865","","","0.71073","MoKα","","0.087","0.0706","","","0.1964","0.2174","","","","","","1.016","","","","has coordinates","199542","2020-10-21","18:00:00",""
"4032679","9.6557","0.0003","7.6318","0.0003","12.9108","0.0004","90","","95.301","0.002","90","","947.33","0.06","100","1","100","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C15 H16 Cl3 N O7 S -","- C15 H16 Cl3 N O7 S -","- C30 H32 Cl6 N2 O14 S2 -","2","1","","Achary, Raghavendra; Jung, In-A; Son, Se-Mi; Lee, Hyeon-Kyu","Stereoselective Synthesis of Functionalized 1,3-Disubstituted Isoindolines via Rh(III)-Catalyzed Tandem Oxidative Olefination-Cyclization of 4-Aryl-cyclic Sulfamidate-5-Carboxylates.","The Journal of organic chemistry","2017","82","14","7223","7233","10.1021/acs.joc.7b00799","","","0.71073","MoKα","","0.0379","0.0354","","","0.0949","0.0965","","","","","","1.08","","","","has coordinates","199543","2020-10-21","18:00:00",""
"4032680","9.1818","0.0009","11.7411","0.0012","16.5296","0.0014","90","","91.51","0.008","90","","1781.3","0.3","290.38","0.1","290.38","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 Cl N2 O -","- C22 H15 Cl N2 O -","- C88 H60 Cl4 N8 O4 -","4","1","","Tian, Miaomiao; Shi, Xiaonan; Zhang, Xinying; Fan, Xuesen","Synthesis of 4-Acylpyrazoles from Saturated Ketones and Hydrazones Featured with Multiple C(sp(3))-H Bond Functionalization and C-C Bond Cleavage and Reorganization.","The Journal of organic chemistry","2017","82","14","7363","7372","10.1021/acs.joc.7b01013","","x-ray","0.71073","MoKα","","0.069","0.0515","","","0.1179","0.1262","","","","","","1.02","","","","has coordinates","200698","2020-10-21","18:00:00",""
"4032681","12.607","0.008","5.662","0.004","18.667","0.014","90","","102.68","0.02","90","","1300","1.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 O3 -","- C15 H16 O3 -","- C60 H64 O12 -","4","1","","Liu, Qiang; Wang, Junlei; Li, Dazhi; Gao, Guo-Lin; Yang, Chao; Gao, Yuan; Xia, Wujiong","Synthesis of Oxatricyclooctanes via Photoinduced Intramolecular Oxa-[4+2] Cycloaddition of Substituted o-Divinylbenzenes.","The Journal of organic chemistry","2017","82","15","7856","7868","10.1021/acs.joc.7b01055","","","0.71073","MoKα","","0.0961","0.0608","","","0.141","0.1672","","","","","","0.94","","","","has coordinates,has disorder","199545","2020-10-21","18:00:00",""
"4032682","15.9534","0.0006","11.7721","0.0004","25.1112","0.001","90","","106.034","0.004","90","","4532.5","0.3","149","0.8","149","0.8","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H44 N2 O8 S2 -","- C46 H44 N2 O8 S2 -","- C184 H176 N8 O32 S8 -","4","1","","Chong, Kam-Weng; Hong, Fong-Jiao; Thomas, Noel F.; Low, Yun-Yee; Kam, Toh-Seok","Electrochemically Mediated Oxidative Transformations of Substituted 4-Methoxystilbenes: Effect of Ortho-Substituted Nucleophilic Groups.","The Journal of organic chemistry","2017","82","12","6172","6191","10.1021/acs.joc.7b00753","","","0.71073","MoKα","","0.0697","0.049","","","0.1216","0.1343","","","","","","1.025","","","","has coordinates","199546","2020-10-21","18:00:00",""
"4032683","11.6518","0.0012","10.0242","0.001","24.692","0.003","90","","103.209","0.002","90","","2807.7","0.5","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H22 Cl2 N4 O Pd -","- C35 H22 Cl2 N4 O Pd -","- C140 H88 Cl8 N16 O4 Pd4 -","4","2","","Li, Guijie; Zhao, Xiangdong; Fang, Kun; Li, Jian; She, Yuanbin","CuCl-Catalyzed Hydroxylation of N-Heteroarylcarbazole Bromide: Approach for the Preparation of N-Heteroarylcarbazolyl Phenols and Its Application in the Synthesis of Phosphorescent Emitters.","The Journal of organic chemistry","2017","82","16","8634","8644","10.1021/acs.joc.7b01568","","","0.71073","MoKα","","0.0481","0.0426","","","0.1034","0.1075","","","","","","1.007","","","","has coordinates","200679","2020-10-21","18:00:00",""
"4032684","16.81","0.004","10.863","0.002","15.317","0.003","90","","90","","90","","2797","1","170","","170","","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H15 N O3 -","- C17 H15 N O3 -","- C136 H120 N8 O24 -","8","1","","Li, Yazhou; Li, Jian; Wu, Xiaowei; Zhou, Yu; Liu, Hong","Rh(III)-Catalyzed C-H Cyclization of Arylnitrones with Diazo Compounds: Access to 3-Carboxylate Substituted N-Hydroxyindoles.","The Journal of organic chemistry","2017","82","17","8984","8994","10.1021/acs.joc.7b01393","","","0.71073","MoKα","","0.0719","0.0461","","","0.1066","0.12","","","","","","1.036","","","","has coordinates","200678","2020-10-21","18:00:00",""
"4032685","11.058","0.003","16.922","0.005","14.89","0.003","90","","100.669","0.007","90","","2738.1","1.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H24 F2 N2 -","- C36 H24 F2 N2 -","- C144 H96 F8 N8 -","4","1","","Maddala, Sudhakar; Mallick, Sudesh; Venkatakrishnan, Parthasarathy","Metal-Free Oxidative C-C Coupling of Arylamines Using a Quinone-Based Organic Oxidant.","The Journal of organic chemistry","2017","82","17","8958","8972","10.1021/acs.joc.7b01377","","","0.71073","MoKα","","0.1413","0.0838","","","0.2772","0.3135","","","","","","1.105","","","","has coordinates","200677","2020-10-21","18:00:00",""
"4032686","7.5489","0.0003","8.9993","0.0004","9.2731","0.0004","80.686","0.002","81.816","0.002","72.884","0.002","591.12","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C30 H26 N2 O4 -","2","1","","Sigalov, Mark V.; Shainyan, Bagrat A.; Sterkhova, Irina V.","Photoinduced Intramolecular Bifurcate Hydrogen Bond: Unusual Mutual Influence of the Components.","The Journal of organic chemistry","2017","82","17","9075","9086","10.1021/acs.joc.7b01589","","","0.71073","MoKα","","0.1075","0.0553","","","0.116","0.1351","","","","","","1.015","","","","has coordinates","200676","2020-10-21","18:00:00",""
"4032687","7.1505","0.0017","7.8314","0.0019","15.265","0.004","101.116","0.004","90.923","0.004","96.993","0.004","831.9","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","Methyl 3-(4-methoxyphenethyl)-6-methyl-2-oxopiperidine-3-carboxylate","","- C17 H23 N O4 -","- C17 H23 N O4 -","- C34 H46 N2 O8 -","2","1","","Ivanov, Konstantin L.; Villemson, Elena V.; Latyshev, Gennadij V.; Bezzubov, Stanislav I.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Regioselective Hydrogenolysis of Donor-Acceptor Cyclopropanes with Zn-AcOH Reductive System.","The Journal of organic chemistry","2017","82","18","9537","9549","10.1021/acs.joc.7b01549","","","0.71073","MoKα","","0.0524","0.0386","","","0.0878","0.095","","","","","","1.028","","","","has coordinates","202739","2020-10-21","18:00:00",""
"4032691","9.7933","0.0005","9.9953","0.0005","15.9261","0.0008","99.293","0.002","91.403","0.002","109.66","0.002","1443.59","0.13","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C36.5 H24 Cl N O2 S2 -","- C36.5 H24 Cl N O2 S2 -","- C73 H48 Cl2 N2 O4 S4 -","2","1","","Klikar, Milan; le Poul, Pascal; Růžička, Aleš; Pytela, Oldřich; Barsella, Alberto; Dorkenoo, Kokou D.; Robin-le Guen, Françoise; Bureš, Filip; Achelle, Sylvain","Dipolar NLO Chromophores Bearing Diazine Rings as π-Conjugated Linkers.","The Journal of organic chemistry","2017","82","18","9435","9451","10.1021/acs.joc.7b01442","","","0.71073","MoKα","","0.0841","0.0538","","","0.1112","0.1244","","","","","","1.051","","","","has coordinates","202736","2020-10-21","18:00:00",""
"4032692","7.715","0.002","9.543","0.002","10.884","0.003","109.664","0.004","96.7","0.004","106.526","0.004","703.1","0.3","273.15","","273.15","","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N3 O4 -","- C15 H17 N3 O4 -","- C30 H34 N6 O8 -","2","1","","Zheng, Jian-Feng; Hu, Xiu-Ning; Xu, Zhen; Cai, Dong-Cheng; Shen, Tai-Long; Huang, Pei-Qiang","Substrate-Controlled Chemoselective Reactions of Isocyanoacetates with Amides and Lactams.","The Journal of organic chemistry","2017","82","18","9693","9703","10.1021/acs.joc.7b01768","","","0.71073","MoKα","","0.0534","0.048","","","0.1297","0.1339","","","","","","1.05","","","","has coordinates","202737","2020-10-21","18:00:00",""
"4032693","9.1014","0.0005","5.8581","0.0004","23.9958","0.0012","90","","95.595","0.005","90","","1273.29","0.13","296.15","","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 N O2 -","- C16 H13 N O2 -","- C64 H52 N4 O8 -","4","1","","Li, Jiu-Ling; Hu, Da-Chao; Liang, Xin-Ping; Wang, Ying-Chun; Wang, Heng-Shan; Pan, Ying-Ming","Praseodymium(III)-Catalyzed Regioselective Synthesis of C3-N-Substituted Coumarins with Coumarins and Azides.","The Journal of organic chemistry","2017","82","17","9006","9011","10.1021/acs.joc.7b01410","","","0.71073","MoKα","","0.0946","0.0558","","","0.1188","0.1427","","","","","","1.069","","","","has coordinates","200276","2020-10-21","18:00:00",""
"4032694","25.2712","0.001","5.6984","0.0002","18.5928","0.0007","90","","129.237","0.0018","90","","2073.8","0.14","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H24 N2 O10 -","- C20 H24 N2 O10 -","- C80 H96 N8 O40 -","4","1","","Yahata, Kenzo; Ye, Ning; Iso, Kentaro; Ai, Yanran; Lee, Jihoon; Kishi, Yoshito","Stereocontrolled Synthesis of Left Halves of Halichondrins.","The Journal of organic chemistry","2017","82","17","8808","8830","10.1021/acs.joc.7b01284","","","1.54178","CuKα","","0.0308","0.0293","","","0.0759","0.0773","","","","","","1.046","","","","has coordinates","200277","2020-10-21","18:00:00",""
"4032695","14.3345","0.0008","21.1548","0.0012","34.813","0.002","90","","90","","90","","10556.8","1","100","2","100","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C50.5 H51 Cl F6 N4 P Rh S2 -","- C50.5 H51 Cl F6 N4 P Rh S2 -","- C404 H408 Cl8 F48 N32 P8 Rh8 S16 -","8","2","","Luo, Shipeng; Zhang, Xiao; Zheng, Yu; Harms, Klaus; Zhang, Lilu; Meggers, Eric","Enantioselective Alkynylation of Aromatic Aldehydes Catalyzed by a Sterically Highly Demanding Chiral-at-Rhodium Lewis Acid.","The Journal of organic chemistry","2017","82","17","8995","9005","10.1021/acs.joc.7b01394","","","0.71073","MoKα","","0.1014","0.0652","","","0.126","0.1376","","","","","","1.026","","","","has coordinates,has disorder","200278","2020-10-21","18:00:00",""
"4032696","11.0301","0.0001","17.6976","0.0003","19.2949","0.0003","90","","90","","90","","3766.49","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C41 H58 O13 -","- C41 H58 O13 -","- C164 H232 O52 -","4","1","","Yahata, Kenzo; Ye, Ning; Iso, Kentaro; Naini, Santhosh Reddy; Yamashita, Shuji; Ai, Yanran; Kishi, Yoshito","Unified Synthesis of Right Halves of Halichondrins A-C.","The Journal of organic chemistry","2017","82","17","8792","8807","10.1021/acs.joc.7b01283","","","1.54178","CuKα","","0.0396","0.0384","","","0.1012","0.1018","","","","","","1.038","","","","has coordinates,has disorder","200279","2020-10-21","18:00:00",""
"4032697","7.4257","0.0008","7.4764","0.0008","23.433","0.002","90","","90","","90","","1300.9","0.2","123","","123","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H18 O4 -","- C14 H18 O4 -","- C56 H72 O16 -","4","1","","Nakazaki, Atsuo; Hashimoto, Keiko; Ikeda, Ai; Shibata, Takahiro; Nishikawa, Toshio","De Novo Synthesis of Possible Candidates for the Inagami-Tamura Endogenous Digitalis-like Factor.","The Journal of organic chemistry","2017","82","17","9097","9111","10.1021/acs.joc.7b01640","","","1.54187","CuKα","","0.0558","0.0528","","","0.1371","0.1404","","","","","","1.082","","","","has coordinates","200280","2020-10-21","18:00:00",""
"4032698","5.8858","0.0004","13.567","0.001","15.5282","0.0011","90","","90","","90","","1239.97","0.15","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 Cl O -","- C15 H11 Cl O -","- C60 H44 Cl4 O4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.0449","0.0348","","","0.0855","0.0923","","","","","","0.988","","","","has coordinates","200281","2020-10-21","18:00:00",""
"4032699","7.26","0.003","9.935","0.004","14.865","0.006","94.186","0.012","102.936","0.011","99.694","0.012","1023.2","0.7","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H19 N -","- C31 H19 N -","- C62 H38 N2 -","2","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.1363","0.076","","","0.1853","0.2348","","","","","","0.942","","","","has coordinates","200282","2020-10-21","18:00:00",""
"4032700","9.1218","0.0014","16.221","0.003","11.9435","0.0018","90","","100.444","0.003","90","","1737.9","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 Cl N -","- C22 H16 Cl N -","- C88 H64 Cl4 N4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Xia, Shi-Qing; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","Divergent Synthesis of Functionalized Quinolines from Aniline and Two Distinct Amino Acids.","The Journal of organic chemistry","2017","82","17","9210","9216","10.1021/acs.joc.7b01501","","","0.71073","MoKα","","0.0966","0.0704","","","0.1999","0.2197","","","","","","1.085","","","","has coordinates,has disorder","200284","2020-10-21","18:00:00",""
"4032701","16.373","0.003","17.935","0.002","18.38","0.003","90","","114.773","0.003","90","","4900.6","1.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H56 Cl6 N6 O6 -","- C44 H56 Cl6 N6 O6 -","- C176 H224 Cl24 N24 O24 -","4","1","","D'Amato, Assunta; Volpe, Raffaele; Vaccaro, Maria Carmela; Terracciano, Stefania; Bruno, Ines; Tosolini, Massimo; Tedesco, Consiglia; Pierri, Giovanni; Tecilla, Paolo; Costabile, Chiara; Della Sala, Giorgio; Izzo, Irene; De Riccardis, Francesco","Cyclic Peptoids as Mycotoxin Mimics: An Exploration of Their Structural and Biological Properties.","The Journal of organic chemistry","2017","82","17","8848","8863","10.1021/acs.joc.7b00965","","","0.71073","MoKα","","0.1733","0.0888","","","0.2278","0.3026","","","","","","0.906","","","","has coordinates","200285","2020-10-21","18:00:00",""
"4032702","8.059","0.0001","9.22611","0.00012","13.21005","0.00017","90","","90","","90","","982.21","0.02","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C36 H60 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.0272","0.0261","","","0.0678","0.0685","","","","","","1.076","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032703","7.4091","0.0005","7.9981","0.0005","15.5815","0.0009","90","","90","","90","","923.34","0.1","150","2","150","0.1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.041","0.0374","","","0.0981","0.1018","","","","","","1.06","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032704","7.54257","0.00009","12.11651","0.00015","10.64996","0.00013","90","","95.459","0.0012","90","","968.88","0.02","150","2","150","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C9 H12 F N O3 -","- C9 H12 F N O3 -","- C36 H48 F4 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","x-ray","1.54184","CuKα","","0.0352","0.0341","","","0.0865","0.0872","","","","","","1.046","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032705","6.3961","0.0004","8.4683","0.0007","21.9193","0.0013","90","","90","","90","","1187.24","0.14","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H12 F N O3 -","- C13 H12 F N O3 -","- C52 H48 F4 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","","0.71073","MoKα","","0.1557","0.0523","","","0.0983","0.1255","","","","","","0.826","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032706","11.0025","0.0008","6.3472","0.0005","20.4018","0.0016","90","","105.422","0.007","90","","1373.46","0.19","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Mykhailiuk, Pavel K.; Kubyshkin, Vladimir; Bach, Thorsten; Budisa, Nediljko","Peptidyl-Prolyl Model Study: How Does the Electronic Effect Influence the Amide Bond Conformation?","The Journal of organic chemistry","2017","82","17","8831","8841","10.1021/acs.joc.7b00803","","","0.71073","MoKα","","0.0744","0.0471","","","0.1137","0.1287","","","","","","0.956","","","","has coordinates","200286","2020-10-21","18:00:00",""
"4032707","24.3119","0.0007","24.3119","0.0007","13.9782","0.0008","90","","90","","90","","8262.1","0.6","187","2","187.65","","","","","","","","","3","I 4/m","-I 4","87","","","","- C79 H8 S2 -","- C79 H8 S2 -","- C632 H64 S16 -","8","0.5","","Yang, Wei-Wei; Li, Zong-Jun; Li, Shu-Hui; Wu, Sheng-Li; Shi, Zujin; Gao, Xiang","Reductive Activation of C70 Equatorial Carbons and Structurally Characterized C70 δ-Adduct with Closed [5,6]-Ring Fusion.","The Journal of organic chemistry","2017","82","17","9253","9257","10.1021/acs.joc.7b01756","","","0.71073","MoKα","","0.1036","0.0685","","","0.1555","0.1707","","","","","","1.1","","","","has coordinates,has disorder","200287","2020-10-21","18:00:00",""
"4032708","9.19","0.003","9.284","0.003","15.827","0.005","85.938","0.008","76.094","0.007","63.729","0.007","1174.4","0.7","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H26 O5 -","- C30 H26 O5 -","- C60 H52 O10 -","2","1","","Yang, Shu-Mei; Tsai, Yi-Ling; Reddy, Ganapuram Madhusudhan; Möhlmann, Lennart; Lin, Wenwei","Chemo- and Diastereoselective Michael-Michael-Acetalization Cascade for the Synthesis of 1,3-Indandione-Fused Spiro[4.5]decan Scaffolds.","The Journal of organic chemistry","2017","82","17","9182","9190","10.1021/acs.joc.7b01415","","","0.71073","MoKα","","0.081","0.0488","","","0.1152","0.1329","","","","","","1.037","","","","has coordinates","200288","2020-10-21","18:00:00",""
"4032709","6.0771","0.0002","8.0868","0.0003","21.8099","0.0009","90","","94.06","0.007","90","","1069.14","0.07","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H27 Fe N O3 -","- C26 H27 Fe N O3 -","- C52 H54 Fe2 N2 O6 -","2","1","","Koizumi, Akihiro; Harada, Masato; Haraguchi, Ryosuke; Fukuzawa, Shin-Ichi","Chiral Silver Complex-Catalyzed Diastereoselective and Enantioselective Michael Addition of 1-Pyrroline-5-carboxylates to α-Enones.","The Journal of organic chemistry","2017","82","17","8927","8932","10.1021/acs.joc.7b01335","","","0.71075","MoKα","","0.0456","0.0421","","","0.1095","0.111","","","","","","1","","","","has coordinates","200289","2020-10-21","18:00:00",""
"4032710","13.8556","0.0015","10.2243","0.0011","21.102","0.002","90","","97","0.002","90","","2967.1","0.5","190","","190","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 Cl2 N4 O Pt -","- C35 H22 Cl2 N4 O Pt -","- C140 H88 Cl8 N16 O4 Pt4 -","4","1","","Li, Guijie; Zhao, Xiangdong; Fang, Kun; Li, Jian; She, Yuanbin","CuCl-Catalyzed Hydroxylation of N-Heteroarylcarbazole Bromide: Approach for the Preparation of N-Heteroarylcarbazolyl Phenols and Its Application in the Synthesis of Phosphorescent Emitters.","The Journal of organic chemistry","2017","82","16","8634","8644","10.1021/acs.joc.7b01568","","","0.71073","MoKα","","0.0904","0.0444","","","0.0843","0.0982","","","","","","1.017","","","","has coordinates","200290","2020-10-21","18:00:00",""
"4032711","15.8397","0.0012","12.254","0.0009","8.6865","0.0005","90","","99.967","0.006","90","","1660.6","0.2","170","","170","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0616","0.0411","","","0.087","0.1017","","","","","","1.071","","","","has coordinates","200291","2020-10-21","18:00:00",""
"4032712","17.5747","0.0007","9.0437","0.0004","22.3355","0.0011","90","","90","","90","","3550","0.3","293","2","293.15","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C22 H14 I N O -","- C22 H14 I N O -","- C176 H112 I8 N8 O8 -","8","2","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0488","0.0331","","","0.0753","0.0857","","","","","","1.085","","","","has coordinates","200292","2020-10-21","18:00:00",""
"4032713","8.8756","0.0007","19.3954","0.0011","10.7433","0.0007","90","","94.89","0.007","90","","1842.7","0.2","171.4","","171.4","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 N O -","- C22 H15 N O -","- C88 H60 N4 O4 -","4","1","","Sun, Lang; Liu, Peng; Wang, Jing; Lu, Ping; Wang, Yanguang","Preparation of Spiro[indene-1,1'-isoindolin]-3'-ones via Sulfuric Acid-Promoted Cascade Cyclization.","The Journal of organic chemistry","2017","82","16","8407","8418","10.1021/acs.joc.7b00958","","","0.71073","MoKα","","0.0744","0.0551","","","0.1623","0.1789","","","","","","1.055","","","","has coordinates","200293","2020-10-21","18:00:00",""
"4032714","11.9098","0.0005","11.9888","0.0005","19.7512","0.0009","78.161","0.002","79.589","0.002","85.415","0.002","2712","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H42 N20 -","- C56 H42 N20 -","- C56 H42 N20 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.34139","GaKα","","0.1154","0.1044","","","0.3243","0.3368","","","","","","1.452","","","","has coordinates","200294","2020-10-21","18:00:00",""
"4032715","11.6172","0.0005","14.6794","0.0006","17.7544","0.0008","77.537","0.002","72.168","0.002","81.93","0.002","2805.3","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C98 H128 N20 O21 S3 -","- C98 H128 N20 O21 S3 -","- C98 H128 N20 O21 S3 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0966","0.0945","","","0.2211","0.2222","","","","","","1.021","","","","has coordinates,has disorder","200295","2020-10-21","18:00:00",""
"4032716","11.7748","0.0015","14.6484","0.0019","16.718","0.0022","80.848","0.006","88.264","0.006","79.23","0.006","2796.7","0.6","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","","","- C76 H98 N20 O10 S10 -","- C76 H98 N20 O10 S10 -","- C76 H98 N20 O10 S10 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0645","0.0614","","","0.2141","0.2208","","","","","","1.023","","","","has coordinates,has disorder","200296","2020-10-21","18:00:00",""
"4032717","11.9255","0.0004","11.9827","0.0004","19.5388","0.0007","80.272","0.002","77.044","0.002","85.171","0.002","2678.77","0.16","100","","100","","","","","","","","Synthesized by the authors. See text","3","P -1","-P 1","2","","","","- C28 H21 N10 -","- C28 H21 N10 -","- C56 H42 N20 -","2","1","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0957","0.0864","","","0.2446","0.2523","","","","","","1.048","","","","has coordinates","200297","2020-10-21","18:00:00",""
"4032718","8.1916","0.0005","14.7394","0.001","22.3861","0.0013","98.184","0.004","90.73","0.002","101.655","0.002","2617.8","0.3","100","","100","","","","","","","","Synthesized by the authors. See text","6","P -1","-P 1","2","","","","- C74 H88 Cl6 N20 O8 S8 -","- C74 H88 Cl6 N20 O8 S8 -","- C74 H88 Cl6 N20 O8 S8 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.0827","0.0815","","","0.1984","0.1992","","","","","","1.011","","","","has coordinates,has disorder","200298","2020-10-21","18:00:00",""
"4032719","7.9578","0.0003","14.6936","0.0005","24.4705","0.001","90","","97.184","0.003","90","","2838.84","0.19","293","2","293","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C13 H14 N O4 -","- C13 H14 N O4 -","- C104 H112 N8 O32 -","8","1","","Yu, Yunliang; Kuai, Changsheng; Chauvin, Remi; Tian, Nian; Ma, Shuangshuang; Cui, Xiuling","Rh-Catalyzed Regioselective ortho-C-H Carbenoid Insertion of Diarylazines.","The Journal of organic chemistry","2017","82","16","8611","8616","10.1021/acs.joc.7b01472","","x-ray","0.71073","MoKα","","0.087","0.0711","","","0.2092","0.2257","","","","","","1.074","","","","has coordinates,has disorder","200299","2020-10-21","18:00:00",""
"4032720","12.353","0.002","17.154","0.003","16.604","0.003","90","","102.32","0.002","90","","3437.4","1","173.15","","173.15","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H56 Cl N3 O4 S2 -","- C28 H56 Cl N3 O4 S2 -","- C112 H224 Cl4 N12 O16 S8 -","4","2","","Li, Yao; Yang, Guo-Hui; Shen, Ye-Ye; Xue, Xiao-Song; Li, Xin; Cheng, Jin-Pei","N-tert-Butyl Sulfinyl Squaramide Receptors for Anion Recognition through Assisted tert-Butyl C-H Hydrogen Bonding.","The Journal of organic chemistry","2017","82","16","8662","8667","10.1021/acs.joc.7b01634","","","0.71073","MoKα","","0.0631","0.0591","","","0.1346","0.1375","","","","","","1.101","","","","has coordinates","200300","2020-10-21","18:00:00",""
"4032721","8.9174","0.0004","11.0306","0.0005","13.5851","0.0006","83.681","0.004","82.834","0.004","86.455","0.004","1316.23","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","2","","Kotha, Sambasivarao; Gunta, Rama","Synthesis of Intricate Fused N-Heterocycles via Ring-Rearrangement Metathesis.","The Journal of organic chemistry","2017","82","16","8527","8535","10.1021/acs.joc.7b01299","","","0.71073","MoKα","","0.0781","0.0546","","","0.1226","0.1409","","","","","","1.05","","","","has coordinates","200301","2020-10-21","18:00:00",""
"4032722","20.989","0.0005","21.5927","0.0006","23.4837","0.0005","90","","90","","90","","10643","0.5","100.05","0.1","100.05","0.1","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C50 H59 F12 N3 O14 P2 -","- C47 H53 F12 N3 O13 P2 -","- C376 H424 F96 N24 O104 P16 -","8","1","","Pederson, Adam M.-P.; Price, Jr, Terry L; Slebodnick, Carla; Schoonover, Daniel V.; Gibson, Harry W.","The Long and the Short of It: Regiospecific Syntheses of Isomers of Dicarbomethoxydibenzo-27-crown-9 and Binding Abilities of Their Pyridyl Cryptands.","The Journal of organic chemistry","2017","82","16","8489","8496","10.1021/acs.joc.7b01242","","x-ray","0.71073","MoKα","","0.1744","0.1245","","","0.3188","0.3567","","","","","","1.212","","","","has coordinates,has disorder","200302","2020-10-21","18:00:00",""
"4032723","18.0919","0.001","7.0413","0.0003","13.4921","0.0009","90","","111.573","0.007","90","","1598.37","0.17","100.01","0.1","100.01","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Methyl 2-(4-bromophenyl)-5-(4-nitrophenyl)-1H-pyrrole-3-carboxylate","","- C18 H13 Br N2 O4 -","- C18 H13 Br N2 O4 -","- C72 H52 Br4 N8 O16 -","4","1","","Galenko, Ekaterina E.; Bodunov, Vladimir A.; Galenko, Alexey V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Fe(II)-Catalyzed Isomerization of 4-Vinylisoxazoles into Pyrroles.","The Journal of organic chemistry","2017","82","16","8568","8579","10.1021/acs.joc.7b01351","","","0.71073","MoKα","","0.0389","0.03","","","0.0655","0.0693","","","","","","1.044","","","","has coordinates","200303","2020-10-21","18:00:00",""
"4032724","10.5193","0.0007","14.9054","0.001","17.3335","0.0011","72.95","0.005","89.888","0.006","80.191","0.006","2557","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C55 H29 F12 N5 Ni -","- C55 H29 F12 N5 Ni -","- C110 H58 F24 N10 Ni2 -","2","1","","Sakashita, Ryuichi; Oka, Yasutaka; Akimaru, Hisanori; Kesavan, Praseetha E.; Ishida, Masatoshi; Toganoh, Motoki; Ishizuka, Tomoya; Mori, Shigeki; Furuta, Hiroyuki","Tautomerism-Induced Cis-Trans Isomerization of Pyridylethenyl N-Confused Porphyrin.","The Journal of organic chemistry","2017","82","16","8686","8696","10.1021/acs.joc.7b01770","","","1.54187","CuKα","","0.1384","0.0904","","","0.218","0.2412","","","","","","1.036","","","","has coordinates,has disorder","200304","2020-10-21","18:00:00",""
"4032725","29.698","0.019","16.005","0.01","22.173","0.014","90","","107.336","0.007","90","","10060","11","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C55 H28 Ag F12 N5 -","- C55 H28 Ag F12 N5 -","- C440 H224 Ag8 F96 N40 -","8","1","","Sakashita, Ryuichi; Oka, Yasutaka; Akimaru, Hisanori; Kesavan, Praseetha E.; Ishida, Masatoshi; Toganoh, Motoki; Ishizuka, Tomoya; Mori, Shigeki; Furuta, Hiroyuki","Tautomerism-Induced Cis-Trans Isomerization of Pyridylethenyl N-Confused Porphyrin.","The Journal of organic chemistry","2017","82","16","8686","8696","10.1021/acs.joc.7b01770","","","0.71075","MoKα","","0.1276","0.0863","","","0.1852","0.2131","","","","","","1.074","","","","has coordinates,has disorder","200305","2020-10-21","18:00:00",""
"4032726","16.9866","0.0013","7.995","0.0006","11.8016","0.0009","90","","90","","90","","1602.8","0.2","120","2","120","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C8 H9 N2 O2 -","- C8 H9 N2 O2 -","- C64 H72 N16 O16 -","8","1","","Otevrel, Jan; Bobal, Pavel","Diamine-Tethered Bis(thiourea) Organocatalyst for Asymmetric Henry Reaction.","The Journal of organic chemistry","2017","82","16","8342","8358","10.1021/acs.joc.7b00079","","","0.71073","MoKα","","0.0346","0.0326","","","0.0894","0.091","","","","","","1.058","","","","has coordinates","200306","2020-10-21","18:00:00",""
"4032727","8.6855","0.0006","9.5744","0.0007","11.5557","0.0008","72.188","0.002","79.727","0.002","77.247","0.002","885.94","0.11","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N4 O6 -","- C18 H18 N4 O6 -","- C36 H36 N8 O12 -","2","1","","Otevrel, Jan; Bobal, Pavel","Diamine-Tethered Bis(thiourea) Organocatalyst for Asymmetric Henry Reaction.","The Journal of organic chemistry","2017","82","16","8342","8358","10.1021/acs.joc.7b00079","","","0.71073","MoKα","","0.0351","0.0331","","","0.0939","0.0959","","","","","","1.081","","","","has coordinates","200307","2020-10-21","18:00:00",""
"4032728","8.0603","0.0011","18.448","0.003","10.7581","0.0015","90","","95.777","0.002","90","","1591.6","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 N2 O -","- C20 H18 N2 O -","- C80 H72 N8 O4 -","4","1","","Kinthada, Lakshmana K.; Medisetty, Sai Raghavendra; Parida, Amarchand; Babu, K. Naresh; Bisai, Alakesh","FeCl3-Catalyzed Allylation Reactions onto 3-Hydroxy-2-oxindoles: Formal Total Syntheses of Bis-cyclotryptamine Alkaloids, (±)-Chimonanthine, and (±)-Folicanthine.","The Journal of organic chemistry","2017","82","16","8548","8567","10.1021/acs.joc.7b01232","","","0.71073","MoKα","","0.0776","0.0531","","","0.1485","0.1661","","","","","","1.028","","","","has coordinates","200308","2020-10-21","18:00:00",""
"4032729","7.2895","0.0006","9.234","0.0008","11.6572","0.001","100.23","0.0011","102.319","0.0011","96.3662","0.0012","745.32","0.11","90","2","90","2","","","","","","","","4","P 1","P 1","1","","","","- C40 H30 O3 Si2 -","- C40 H30 O3 Si2 -","- C40 H30 O3 Si2 -","1","1","","Diemoz, Kayla M.; Hein, Jason E.; Wilson, Sean O.; Fettinger, James C.; Franz, Annaliese K.","Reaction Progress Kinetics Analysis of 1,3-Disiloxanediols as Hydrogen-Bonding Catalysts.","The Journal of organic chemistry","2017","82","13","6738","6747","10.1021/acs.joc.7b00875","","","0.71073","MoKα","","0.0379","0.0374","","","0.1012","0.1018","","","","","","1.08","","","","has coordinates","200309","2020-10-21","18:00:00",""
"4032730","8.282","0.006","9.706","0.009","10.928","0.007","113.515","0.011","93.064","0.001","114.23","0.03","709.3","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H28 N2 O4 S2 -","- C34 H28 N2 O4 S2 -","- C34 H28 N2 O4 S2 -","1","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.0491","0.0451","","","0.1225","0.1264","","","","","","1.118","","","","has coordinates","200310","2020-10-21","18:00:00",""
"4032731","13.109","0.003","10.35","0.002","16.408","0.003","90","","94.59","0.03","90","","2219.1","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C52 H60 N2 O6 -","- C52 H60 N2 O6 -","- C104 H120 N4 O12 -","2","0.5","","Anguera, Gonzalo; Kauffmann, Brice; Borrell, José I; Borrós, Salvador; Sánchez-García, David","Stable 5,5'-Substituted 2,2'-Bipyrroles: Building Blocks for Macrocyclic and Materials Chemistry.","The Journal of organic chemistry","2017","82","13","6904","6912","10.1021/acs.joc.7b00961","","","1.54178","CuKα","","0.056","0.0505","","","0.1374","0.1412","","","","","","1.044","","","","has coordinates","200311","2020-10-21","18:00:00",""
"4032732","9.538","0.004","10.565","0.004","11.508","0.005","106.644","0.005","98.183","0.004","103.348","0.005","1053.7","0.8","173.15","","173.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H20 N O P S -","- C25 H20 N O P S -","- C50 H40 N2 O2 P2 S2 -","2","1","","Guo, Wei-Si; Dou, Qian; Hou, Jian; Wen, Li-Rong; Li, Ming","Synthesis of 6-Phosphorylated Phenanthridines by Mn(II)-Promoted Tandem Reactions of 2-Biaryl Isothiocyanates with Phosphine Oxides.","The Journal of organic chemistry","2017","82","13","7015","7022","10.1021/acs.joc.7b00907","","","0.71073","MoKα","","0.0558","0.0507","","","0.1121","0.1152","","","","","","1.164","","","","has coordinates","200312","2020-10-21","18:00:00",""
"4032733","16.045","0.0019","14.1739","0.0016","8.0985","0.0009","90","","96.802","0.009","90","","1828.8","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F2 O4 -","- C21 H16 F2 O4 -","- C84 H64 F8 O16 -","4","1","","Zhang, Yan; Ye, Shangyi; Ji, Mingming; Li, Lisha; Guo, Dongmei; Zhu, Gangguo","Copper-Catalyzed Radical Cascade Difluoromethylation/Cyclization of 2-(3-Arylpropioloyl)benzaldehydes: A Route to Difluoromethylated Naphthoquinones.","The Journal of organic chemistry","2017","82","13","6811","6818","10.1021/acs.joc.7b00964","","","0.71073","MoKα","","0.1897","0.0754","","","0.1748","0.2371","","","","","","1.068","","","","has coordinates","200313","2020-10-21","18:00:00",""
"4032734","8.0848","0.0001","13.4851","0.0001","14.869","0.0002","90","","103.63","0.001","90","","1575.43","0.03","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C11 H31 B N O P -","- C11 H31 B N O P -","- C44 H124 B4 N4 O4 P4 -","4","2","","Salomó, Ernest; Prades, Amparo; Riera, Antoni; Verdaguer, Xavier","Dialkylammonium tert-Butylmethylphosphinites: Stable Intermediates for the Synthesis of P-Stereogenic Ligands.","The Journal of organic chemistry","2017","82","13","7065","7069","10.1021/acs.joc.7b01180","","","0.7107","MoKα","","0.0381","0.0298","","","0.088","0.0927","","","","","","1.023","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4032735","19.8444","0.0009","8.1601","0.0004","15.9017","0.0008","90","","109.063","0.003","90","","2433.8","0.2","296","","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","7-azainzole zinc acetate dimer","","- C22 H24 N4 O8 Zn2 -","- C22 H24 N4 O8 Zn2 -","- C88 H96 N16 O32 Zn8 -","4","0.5","","Ayothiraman, Rajaram; Rangaswamy, Sundaramurthy; Maity, Prantik; Simmons, Eric M.; Beutner, Gregory L.; Janey, Jacob; Treitler, Daniel S.; Eastgate, Martin D.; Vaidyanathan, Rajappa","Zinc Acetate-Promoted Buchwald-Hartwig Couplings of Heteroaromatic Amines.","The Journal of organic chemistry","2017","82","14","7420","7427","10.1021/acs.joc.7b01101","","","0.71073","MoKα","","0.0472","0.0369","","","0.0969","0.1018","","","","","","1.112","","","","has coordinates","200315","2020-10-21","18:00:00",""
"4032736","11.2475","0.0008","11.963","0.0009","23.4408","0.0017","90","","90","","90","","3154","0.4","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H33 Cl N2 O8 -","- C34 H33 Cl N2 O8 -","- C136 H132 Cl4 N8 O32 -","4","1","","Feng, Junjun; Li, Xin","Enantioselective Vinylogous Michael-Michael Cascade Reactions of 3-Alkylidene Oxindoles and Nitroolefin Enoates.","The Journal of organic chemistry","2017","82","14","7317","7323","10.1021/acs.joc.7b00938","","","0.71073","MoKα","","0.0286","0.0257","","","0.0661","0.0673","","","","","","1.048","","","","has coordinates","200316","2020-10-21","18:00:00",""
"4032737","32.034","0.0017","12.9944","0.0008","20.1345","0.0011","90","","124.023","0.001","90","","6946.5","0.7","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C89 H66 Cl2 N8 O4 -","- C89 H66 Cl2 N8 O4 -","- C356 H264 Cl8 N32 O16 -","4","0.5","","Kavala, Veerababurao; Yang, Zonghan; Konala, Ashok; Huang, Chia-Yu; Kuo, Chun-Wei; Yao, Ching-Fa","Synthesis of Benzopyridoindolone Derivatives via a One-Pot Copper Catalyzed Tandem Reaction of 2-Iodobenzamide Derivatives and 2-Iodobenzylcyanides.","The Journal of organic chemistry","2017","82","14","7280","7286","10.1021/acs.joc.7b00862","","","0.71073","MoKα","","0.0681","0.0526","","","0.1482","0.1639","","","","","","1.04","","","","has coordinates","200317","2020-10-21","18:00:00",""
"4032738","8.3866","0.001","11.7585","0.0013","13.8846","0.0016","65.243","0.004","78.191","0.005","74.835","0.005","1193","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 Cl3 N2 -","- C23 H29 Cl3 N2 -","- C46 H58 Cl6 N4 -","2","1","","Dunn, Michelle H.; Konstandaras, Nicholas; Cole, Marcus L.; Harper, Jason B.","Targeted and Systematic Approach to the Study of pKa Values of Imidazolium Salts in Dimethyl Sulfoxide.","The Journal of organic chemistry","2017","82","14","7324","7331","10.1021/acs.joc.7b00716","","x-ray","0.71073","MoKα","","0.09","0.053","","","0.1245","0.1413","","","","","","1.055","","","","has coordinates","200318","2020-10-21","18:00:00",""
"4032739","10.7863","0.0003","11.9749","0.0003","15.8854","0.0004","90","","90","","90","","2051.84","0.09","103.2","","103.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 Br N2 O5 -","- C20 H21 Br N2 O5 -","- C80 H84 Br4 N8 O20 -","4","1","","Ma, Hongli; Xie, Lei; Zhang, Zhenhua; Wu, Lin-Gang; Fu, Bin; Qin, Zhaohai","Enantioselective Conjugate Addition of 2-Acetyl Azaarenes to β,β-Disubstituted Nitroalkene for the Construction of All-Carbon Quaternary Stereocenters.","The Journal of organic chemistry","2017","82","14","7353","7362","10.1021/acs.joc.7b01014","","","1.5418","CuKα","","0.0323","0.0317","","","0.0809","0.0813","","","","","","1.119","","","","has coordinates","200319","2020-10-21","18:00:00",""
"4032740","11.851","0.002","6.5036","0.0013","17.863","0.004","90","","108.35","0.03","90","","1306.8","0.5","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O4 -","- C29 H44 O4 -","- C58 H88 O8 -","2","1","","Hou, Ling-Li; Shi, Yong; Zhang, Zhi-Dan; Wu, Jing-Jing; Yang, Qing-Xiong; Tian, Wei-Sheng","Divergent Synthesis of Solanidine and 22-epi-Solanidine.","The Journal of organic chemistry","2017","82","14","7463","7469","10.1021/acs.joc.7b01133","","","1.54178","CuKα","","0.0424","0.0421","","","0.1137","0.1143","","","","","","1.025","","","","has coordinates","200320","2020-10-21","18:00:00",""
"4032741","7.9933","0.0007","8.6795","0.0007","13.2531","0.0011","78.2587","0.0013","78.0645","0.0013","67.9603","0.0012","825.78","0.12","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C24 H14 O4 -","- C24 H14 O4 -","- C48 H28 O8 -","2","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0506","0.0428","","","0.113","0.1186","","","","","","1.045","","","","has coordinates","200321","2020-10-21","18:00:00",""
"4032742","16.2777","0.0009","8.0337","0.0005","19.5542","0.0011","90","","92.8884","0.0011","90","","2553.9","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 O5 -","- C36 H22 O5 -","- C144 H88 O20 -","4","1","","Dengiz, Cagatay; Luppino, Sarah P.; Gutierrez, Gregory D.; Swager, Timothy M.","Naphthazarin-Polycyclic Conjugated Hydrocarbons and Iptycenes.","The Journal of organic chemistry","2017","82","14","7470","7480","10.1021/acs.joc.7b01170","","","0.71073","MoKα","","0.0682","0.045","","","0.1056","0.1188","","","","","","1.026","","","","has coordinates","200322","2020-10-21","18:00:00",""
"4032743","10.5106","0.0002","4.968","0.0001","44.4015","0.0009","90","","91.325","0.001","90","","2317.88","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1571","","","- C29 H29 N O5 -","- C29 H29 N O5 -","- C116 H116 N4 O20 -","4","1","","Huber, Tatjana; Preuhs, Teresa A.; Gerlinger, Christa K. G.; Magauer, Thomas","Development of a β-C-H Bromination Approach toward the Synthesis of Jerantinine E.","The Journal of organic chemistry","2017","82","14","7410","7419","10.1021/acs.joc.7b01095","","","0.71073","MoKα","","0.0482","0.0395","","","0.0902","0.0946","","","","","","1.038","","","","has coordinates","200323","2020-10-21","18:00:00",""
"4032744","6.6887","0.0005","9.605","0.0007","10.7854","0.0008","99.406","0.003","90.418","0.003","93.521","0.003","682.2","0.09","290","2","290","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H17 N O4 -","- C15 H17 N O4 -","- C30 H34 N2 O8 -","2","1","","Chiou, Wen-Hua; Chen, Po-Chou","Synthesis of (±)-Aphanorphine Using Rh-Catalyzed Cyclohydrocarbonylation.","The Journal of organic chemistry","2017","82","15","8213","8219","10.1021/acs.joc.7b00923","","x-ray","0.71073","MoKα","","0.0639","0.0496","","","0.1407","0.1582","","","","","","1.001","","","","has coordinates","200324","2020-10-21","18:00:00",""
"4032745","16.6953","0.0002","9.71833","0.00014","24.2042","0.0004","90","","107.522","0.0015","90","","3744.93","0.1","110","2","110","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C68 H98 Cu2 F12 N8 O P2 -","- C68 H98 Cu2 F12 N8 O P2 -","- C136 H196 Cu4 F24 N16 O2 P4 -","2","1","","Trammell, Rachel; See, Yi Yang; Herrmann, Aaron T.; Xie, Nan; Díaz, Daniel E; Siegler, Maxime A.; Baran, Phil S.; Garcia-Bosch, Isaac","Decoding the Mechanism of Intramolecular Cu-Directed Hydroxylation of sp(3) C-H Bonds.","The Journal of organic chemistry","2017","82","15","7887","7904","10.1021/acs.joc.7b01069","","","1.54178","CuKα","","0.0463","0.0404","","","0.1024","0.1084","","","","","","1.028","","","","has coordinates,has disorder","200325","2020-10-21","18:00:00",""
"4032746","7.571","0.002","18.848","0.006","12.151","0.004","90","","108.266","0.006","90","","1646.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 F N3 O -","- C20 H16 F N3 O -","- C80 H64 F4 N12 O4 -","4","1","","Yu, Yulan; Cai, Zhiqiang; Yuan, Weiwen; Liu, Ping; Sun, Peipei","Radical Addition/Insertion/Cyclization Cascade Reaction To Assemble Phenanthridines from N-Arylacrylamide Using Cyano as a Bridge under Photoredox Catalysis.","The Journal of organic chemistry","2017","82","15","8148","8156","10.1021/acs.joc.7b01447","","","0.71073","MoKα","","0.1156","0.0585","","","0.1414","0.1719","","","","","","1.037","","","","has coordinates","200326","2020-10-21","18:00:00",""
"4032747","20.918","0.002","6.0208","0.0006","25.025","0.002","90","","111.139","0.01","90","","2939.6","0.5","290","0.4","290","0.4","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H32 N2 O6 S2 -","- C31 H32 N2 O6 S2 -","- C124 H128 N8 O24 S8 -","4","1","","Lu, Jia-Tian; Shi, Zi-Fa; Cao, Xiao-Ping","Total Synthesis of (-)-Chanoclavine I and an Oxygen-Substituted Ergoline Derivative.","The Journal of organic chemistry","2017","82","15","7774","7782","10.1021/acs.joc.7b00573","","","0.7107","MoKα","","0.1187","0.0598","","","0.1127","0.1476","","","","","","1.056","","","","has coordinates","200327","2020-10-21","18:00:00",""
"4032748","10.8586","0.00017","22.1145","0.0004","22.6189","0.0003","93.071","0.0011","90.2646","0.0011","93.6436","0.0013","5412.59","0.15","100.1","0.4","100.1","0.4","","","","","","","","7","P -1","-P 1","2","","","","- C45 H54 Cl3 F6 N3 O19 S2 -","- C45 H54 Cl3 F6 N3 O19 S2 -","- C180 H216 Cl12 F24 N12 O76 S8 -","4","2","","Price, Jr, Terry L; Wessels, Hanlie R.; Slebodnick, Carla; Gibson, Harry W.","High-Yielding Syntheses of Crown Ether-Based Pyridyl Cryptands.","The Journal of organic chemistry","2017","82","15","8117","8122","10.1021/acs.joc.7b01389","","x-ray","1.54184","CuKα","","0.0587","0.0488","","","0.129","0.1395","","","","","","1.043","","","","has coordinates","200328","2020-10-21","18:00:00",""
"4032749","16.89","0.003","8.0184","0.0016","11.924","0.002","90","","94.97","0.03","90","","1608.8","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O3 S -","- C18 H17 N O3 S -","- C72 H68 N4 O12 S4 -","4","1","","Huang, Jiuzhong; Zheng, Jia; Wu, Wanqing; Li, Jianxiao; Ma, Zhiqiang; Ren, Yanwei; Jiang, Huanfeng","Palladium-Catalyzed Intermolecular Oxidative Cyclization of Allyltosylamides with AcOH: Assembly of 3-Pyrrolin-2-ones.","The Journal of organic chemistry","2017","82","15","8191","8198","10.1021/acs.joc.7b00804","","","0.71073","MoKα","","0.1192","0.0586","","","0.1247","0.1507","","","","","","1.006","","","","has coordinates","200329","2020-10-21","18:00:00",""
"4032750","8.9017","0.0017","10.527","0.002","17.992","0.004","90","","90.408","0.008","90","","1686","0.6","173","","173","","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 F28 -","- C42 F28 -","- C84 F56 -","2","0.5","","Sakamoto, Youichi; Suzuki, Toshiyasu","Perfluorinated and Half-Fluorinated Rubrenes: Synthesis and Crystal Packing Arrangements.","The Journal of organic chemistry","2017","82","15","8111","8116","10.1021/acs.joc.7b01383","","","0.7107","MoKα","","","0.045","","","","0.0979","","","","","","0.847","","","","has coordinates","200330","2020-10-21","18:00:00",""
"4032751","8.2318","0.0004","10.7603","0.0009","13.738","0.0007","90","","90.712","0.005","90","","1216.77","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H8 N4 -","- C15 H8 N4 -","- C60 H32 N16 -","4","1","","Zhu, Xinju; Shen, Xiao-Jing; Tian, Zi-Yao; Lu, Shuai; Tian, Lu-Lu; Liu, Wen-Bo; Song, Bing; Hao, Xin-Qi","Rhodium-Catalyzed Direct Bis-cyanation of Arylimidazo[1,2-α]pyridine via Double C-H Activation.","The Journal of organic chemistry","2017","82","12","6022","6031","10.1021/acs.joc.6b03036","","x-ray","1.54184","CuKα","","0.07","0.0552","","","0.1701","0.1919","","","","","","1.069","","","","has coordinates","200331","2020-10-21","18:00:00",""
"4032752","8.6541","0.0002","10.3345","0.0002","14.6137","0.0004","90","","96.5887","0.0018","90","","1298.36","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C56 H46 Br2 N4 O6 -","- C56 H46 Br2 N4 O6 -","- C56 H46 Br2 N4 O6 -","1","0.5","","Ren, Ji-Wei; Wang, Jing; Xiao, Jun-An; Li, Jun; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","L-Pyroglutamic Sulphonamide as Hydrogen-Bonding Organocatalyst: Enantioselective Diels-Alder Cyclization to Construct Carbazolespirooxindoles.","The Journal of organic chemistry","2017","82","12","6441","6449","10.1021/acs.joc.7b00733","","","0.71073","MoKα","","0.0415","0.0368","","","0.0982","0.1004","","","","","","1.056","","","","has coordinates","200332","2020-10-21","18:00:00",""
"4032753","13.0387","0.0006","5.8212","0.0003","22.0905","0.0012","90","","92.372","0.002","90","","1675.25","0.15","100","","100","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H9 F9 O S -","- C17 H9 F9 O S -","- C68 H36 F36 O4 S4 -","4","1","","Yin, Hongfei; Skrydstrup, Troels","Access to Perfluoroalkyl-Substituted Enones and Indolin-2-ones via Multicomponent Pd-Catalyzed Carbonylative Reactions.","The Journal of organic chemistry","2017","82","12","6474","6481","10.1021/acs.joc.7b00942","","","0.56086","AgKα","","0.0521","0.0382","","","0.0881","0.096","","","","","","1.029","","","","has coordinates","200333","2020-10-21","18:00:00",""
"4032754","20.0478","0.0004","7.17097","0.00013","21.1937","0.0004","90","","90","","90","","3046.85","0.1","150","","150","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C136 H176 O32 -","8","2","","Sahu, Raghaba; Singh, Vishwakarma","Cycloaddition of Spiroepoxycyclohexa-2,4-dienones, Radical Cyclization and 1,3-Acyl Shift in Excited State: Aromatics to Sterpuren-4-one.","The Journal of organic chemistry","2017","82","12","6268","6278","10.1021/acs.joc.7b00867","","x-ray","1.54184","CuKα","","0.0563","0.0452","","","0.1167","0.1411","","","","","","1.176","","","","has coordinates","200334","2020-10-21","18:00:00",""
"4032755","5.158","0.004","9.565","0.007","16.058","0.011","87.872","0.011","87.558","0.011","83.708","0.012","786.3","1","296.15","","296.15","","","","","","","","","5","P -1","-P 1","2","","","","- C14.88 H14.76 F3 N2 O3 -","- C14.879 H14.748 F3 N2 O3 -","- C29.758 H29.496 F6 N4 O6 -","2","1","","Chen, Chun-Hua; Liu, Qing-Qing; Ma, Xiao-Pan; Feng, Yu; Liang, Cui; Pan, Cheng-Xue; Su, Gui-Fa; Mo, Dong-Liang","Copper-Catalyzed Selective N-Vinylation of 3-(Hydroxyimino)indolin-2-ones with Alkenyl Boronic Acids: Synthesis of N-Vinyl Nitrones and Spirooxindoles.","The Journal of organic chemistry","2017","82","12","6417","6425","10.1021/acs.joc.7b00620","","","0.71073","MoKα","","0.0976","0.086","","","0.2952","0.3103","","","","","","1.358","","","","has coordinates","200335","2020-10-21","18:00:00",""
"4032756","14.7624","0.0014","7.2144","0.0008","20.8003","0.0019","90","","109.48","0.006","90","","2088.5","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H21 N O -","- C11 H21 N O -","- C88 H168 N8 O8 -","8","2","","Saruengkhanphasit, Rungroj; Collier, Darren; Coldham, Iain","Synthesis of Spirocyclic Amines by Using Dipolar Cycloadditions of Nitrones.","The Journal of organic chemistry","2017","82","12","6489","6496","10.1021/acs.joc.7b00959","","","0.71073","MoKα","","0.0926","0.0514","","","0.1051","0.1256","","","","","","1.019","","","","has coordinates","200336","2020-10-21","18:00:00",""
"4032757","12.0615","0.0005","13.9829","0.0005","11.3318","0.0005","90","","111.927","0.005","90","","1772.91","0.14","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H14 N2 S -","- C24 H14 N2 S -","- C96 H56 N8 S4 -","4","1","","Hua, Ying-Xi; Shao, Yongliang; Wang, Ya-Wen; Peng, Yu","A Series of Fluorescent and Colorimetric Chemodosimeters for Selective Recognition of Cyanide Based on the FRET Mechanism.","The Journal of organic chemistry","2017","82","12","6259","6267","10.1021/acs.joc.7b00850","","","0.71073","MoKα","","0.065","0.0451","","","0.0943","0.1058","","","","","","1.051","","","","has coordinates","200337","2020-10-21","18:00:00",""
"4032758","12.5496","0.0018","13.4577","0.0015","16.944","0.002","105.216","0.011","95.918","0.012","106.899","0.012","2591.7","0.6","150.01","0.1","150.01","0.1","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C22 H15 F3 N2 O -","- C22 H15 F3 N2 O -","- C132 H90 F18 N12 O6 -","6","3","","Alonso, Concepción; González, María; Palacios, Francisco; Rubiales, Gloria","Study of the Hetero-[4+2]-Cycloaddition Reaction of Aldimines and Alkynes. Synthesis of 1,5-Naphthyridine and Isoindolone Derivatives.","The Journal of organic chemistry","2017","82","12","6379","6387","10.1021/acs.joc.7b00977","","x-ray","1.54184","CuKα","","0.1563","0.0987","","","0.2681","0.3081","","","","","","0.991","","","","has coordinates,has disorder","200338","2020-10-21","18:00:00",""
"4032759","5.7218","0.0008","5.9498","0.0008","42.706","0.006","90","","90","","90","","1453.9","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 Br O3 -","- C17 H13 Br O3 -","- C68 H52 Br4 O12 -","4","1","","Balha, Megha; Mondal, Buddhadeb; Sahoo, Subas Chandra; Pan, Subhas Chandra","Organocatalytic Asymmetric Michael-Hemiacetalization Reaction Between 2-Hydroxyacetophenones and Enals: A Route to Chiral β,γ-Disubstituted γ-Butyrolactones.","The Journal of organic chemistry","2017","82","12","6409","6416","10.1021/acs.joc.7b00363","","","0.71073","MoKα","","0.0494","0.0316","","","0.0762","0.0973","","","","","","1.067","","","","has coordinates","200339","2020-10-21","18:00:00",""
"4032760","5.943","0.0002","14.5054","0.0006","25.4785","0.0011","90","","90","","90","","2196.39","0.15","133","2","133","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N6 -","- C26 H30 N6 -","- C104 H120 N24 -","4","1","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.1382","0.0836","","","0.1263","0.1445","","","","","","1.13","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032761","18.3256","0.0002","10.8929","0.0001","21.4142","0.0003","90","","90","","90","","4274.68","0.09","133","2","133","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H26 N6 -","- C22 H26 N6 -","- C176 H208 N48 -","8","1","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.0596","0.047","","","0.1071","0.1139","","","","","","1.101","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032762","15.9473","0.0015","33.829","0.004","6.8715","0.0009","90","","90","","90","","3707","0.7","133","2","133","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C42 H46 N6 O2 -","- C42 H46 N6 O2 -","- C168 H184 N24 O8 -","4","0.5","","Gampe, Dominique Mario; Schramm, Stefan; Ziemann, Steffen; Westerhausen, Matthias; Görls, Helmar; Naumov, Panče; Beckert, Rainer","From Highly Fluorescent Donors to Strongly Absorbing Acceptors: The Tunable Properties of Fluorubines.","The Journal of organic chemistry","2017","82","12","6153","6162","10.1021/acs.joc.7b00676","","","0.71073","MoKα","","0.2107","0.1051","","","0.1767","0.2152","","","","","","1.134","","","","has coordinates","200340","2020-10-21","18:00:00",""
"4032763","7.4869","0.0006","5.5397","0.0005","22.6003","0.0018","90","","90.853","0.001","90","","937.25","0.14","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H9 N O -","- C12 H9 N O -","- C48 H36 N4 O4 -","4","1","","Al-Huniti, Mohammed H; Sullivan, Zachary B.; Stanley, Jarrod L.; Carson, James A.; Hyatt, I. F. Dempsey; Hairston, A. Christina; Croatt, Mitchell P.","Hypervalent Iodonium Alkynyl Triflate Generated Phenylcyanocarbene and Its Reactivity with Aromatic Systems.","The Journal of organic chemistry","2017","82","22","11772","11780","10.1021/acs.joc.7b01608","","","0.71073","MoKα","","0.0499","0.0465","","","0.1263","0.1302","","","","","","1.058","","","","has coordinates,has disorder","204821","2020-10-21","18:00:00",""
"4032764","13.22","0.012","14.636","0.012","14.987","0.014","90","","91.27","0.03","90","","2899","4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18-dimethyl- 21-carbaporphyrin","","- C35 H39 N3 O4 -","- C35 H39 N3 O4 -","- C140 H156 N12 O16 -","4","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0925","0.0624","","","0.1506","0.1633","","","","","","1.137","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032765","9.289","0.0011","11.9696","0.0013","14.6981","0.0014","98.622","0.004","98.649","0.005","98.902","0.007","1570.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18,21-trimethyl- 21-carbaporphyrinato)palladium(II)","","- C36 H39 N3 O4 Pd -","- C36 H39 N3 O4 Pd -","- C72 H78 N6 O8 Pd2 -","2","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0497","0.0323","","","0.0603","0.0651","","","","","","1.031","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032766","9.3067","0.0004","14.4582","0.0006","23.3519","0.0009","91.141","0.003","90.468","0.003","94.066","0.003","3133.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","(8,12,13,17-tetraethyl-2,3-di(methoxycarbonyl)-7,18,21-trimethyl- 21-carbaporphyrinato)nickel(II)","","- C36 H39 N3 Ni O4 -","- C36 H39 N3 Ni O4 -","- C144 H156 N12 Ni4 O16 -","4","2","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.0804","0.0382","","","0.0828","0.0925","","","","","","0.883","","","","has coordinates","202740","2020-10-21","18:00:00",""
"4032767","12.093","0.002","12.1052","0.0019","12.739","0.002","66.264","0.007","71.517","0.008","61.662","0.007","1484","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","8,12,13,17-tetraethyl-2,2-di(methoxycarbonyl)-7,18-dimethyl- 2,3-dihydro-21-carbaporphyrin","","- C35 H41 N3 O4 -","- C35 H41 N3 O4 -","- C70 H82 N6 O8 -","2","1","","Sahota, Navneet; Ferrence, Gregory M.; Lash, Timothy D.","Synthesis and Properties of Carbaporphyrin and Carbachlorin Dimethyl Esters Derived from Cyclopentanedialdehydes.","The Journal of organic chemistry","2017","82","18","9715","9730","10.1021/acs.joc.7b01831","","","0.71073","MoKα","","0.1258","0.0715","","","0.1872","0.2245","","","","","","1.017","","","","has coordinates,has disorder","202740","2020-10-21","18:00:00",""
"4032768","18.2454","0.0008","7.4219","0.0003","18.7073","0.0007","90","","114.262","0.002","90","","2309.51","0.17","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H72 O6 -","- C56 H72 O6 -","- C112 H144 O12 -","2","0.5","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","x-ray","1.54178","CuKα","","0.087","0.0545","","","0.1305","0.1478","","","","","","1.025","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032769","9.2936","0.0004","10.1589","0.0004","17.9869","0.0007","85.729","0.001","79.759","0.002","70.5","0.002","1575.07","0.11","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C37 H48 O4 -","- C37 H48 O4 -","- C74 H96 O8 -","2","1","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","","1.54178","CuKα","","0.0428","0.0366","","","0.0945","0.0992","","","","","","1.032","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032770","16.1982","0.0005","8.0127","0.0003","19.7384","0.0007","90","","96.427","0.003","90","","2545.77","0.15","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H30 O3 -","- C35 H30 O3 -","- C140 H120 O12 -","4","1","","Pan, San-Jiang; Ye, Gang; Jia, Fei; He, Zhenfeng; Ke, Hua; Yao, Huan; Fan, Zhi; Jiang, Wei","Regioselective Synthesis of Methylene-Bridged Naphthalene Oligomers and Their Host-Guest Chemistry.","The Journal of organic chemistry","2017","82","18","9570","9575","10.1021/acs.joc.7b01579","","x-ray","1.54178","CuKα","","0.0855","0.0589","","","0.133","0.1471","","","","","","1.016","","","","has coordinates","202741","2020-10-21","18:00:00",""
"4032771","13.1127","0.0002","21.3124","0.0003","8.87124","0.0001","90","","101.344","","90","","2430.75","0.06","173","","173","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 F6 I N O5 S2 -","- C19 H18 F6 I N O5 S2 -","- C76 H72 F24 I4 N4 O20 S8 -","4","1","","Das, Prajwalita; Shibata, Norio","Electrophilic Triflyl-arylation and Triflyl-pyridylation by Unsymmetrical Aryl/Pyridyl-λ3-iodonium Salts: Synthesis of Aryl and Pyridyl Triflones.","The Journal of organic chemistry","2017","82","22","11915","11924","10.1021/acs.joc.7b01690","","","0.71075","MoKα","","","0.0358","","","","0.1385","","","","","","1.243","","","","has coordinates","204824","2020-10-21","18:00:00",""
"4032772","28.2486","0.0005","9.3345","0.0002","35.1839","0.0009","90","","103.793","0.0009","90","","9010","0.3","100","0.5","100","0.5","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C53 H33 B Cl6 F2 N2 -","- C53 H33 B Cl6 F2 N2 -","- C424 H264 B8 Cl48 F16 N16 -","8","1","","Zhao, Ning; Xuan, Sunting; Zhou, Zehua; Fronczek, Frank R.; Smith, Kevin M.; Vicente, M Graça H","Synthesis and Spectroscopic and Cellular Properties of Near-IR [a]Phenanthrene-Fused 4,4-Difluoro-4-bora-3a,4a-diaza-s-indacenes.","The Journal of organic chemistry","2017","82","18","9744","9750","10.1021/acs.joc.7b01940","","","0.71073","MoKα","","0.1056","0.0549","","","0.1227","0.1435","","","","","","1.018","","","","has coordinates","202738","2020-10-21","18:00:00",""
"4032773","6.61954","0.00008","13.75433","0.00017","16.9835","0.0002","90","","90","","90","","1546.3","0.03","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O2 -","- C19 H23 N O2 -","- C76 H92 N4 O8 -","4","1","","Davies, Stephen G.; Fletcher, Ai M.; Houlsby, Ian T. T.; Roberts, Paul M.; Thomson, James E.","Structural Revision of the Hancock Alkaloid (-)-Galipeine.","The Journal of organic chemistry","2017","82","19","10673","10679","10.1021/acs.joc.7b01720","","","1.54184","CuKα","","0.0308","0.0305","","0.0781","0.0777","0.0781","","","","","","1.0246","","","","has coordinates","202699","2020-10-21","18:00:00",""
"4032774","13.946","0.002","9.9498","0.0009","14.897","0.002","90","","97.21","0.02","90","","2050.8","0.5","295.15","0.1","295.15","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 I2 O4 -","- C22 H18 I2 O4 -","- C88 H72 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.0705","0.0504","","","0.1115","0.1323","","","","","","1.041","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032775","14.4274","0.0007","13.887","0.0006","16.6402","0.0009","90","","109.066","0.006","90","","3151","0.3","296","0.3","296","0.3","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C34 H24 Br2 I2 O4 -","- C34 H24 Br2 I2 O4 -","- C136 H96 Br8 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.71073","MoKα","","0.1234","0.0631","","","0.1342","0.1743","","","","","","1.028","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032776","13.6316","0.0005","11.6665","0.0005","14.3791","0.0007","90","","104.063","0.004","90","","2218.22","0.17","290.58","0.1","290.58","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 I2 O4 -","- C24 H22 I2 O4 -","- C96 H88 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.0614","0.0471","","","0.1103","0.1227","","","","","","1.065","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032777","15.8653","0.0004","9.9024","0.0003","16.176","0.0006","90","","105.381","0.003","90","","2450.3","0.14","239","4","239","4","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 I2 O4 -","- C26 H26 I2 O4 -","- C104 H104 I8 O16 -","4","1","","Wang, Jia; Zhu, Hai-Tao; Chen, Si; Luan, Cheng; Xia, Yu; Shen, Yi; Li, Ying-Xiu; Hua, Yingxi; Liang, Yong-Min","Electrophilic Cyclization and Intermolecular Acetalation of 2-(4-Hydroxybut-1-yn-1-yl)benzaldehydes: Synthesis of Diiodinated Diepoxydibenzo[c,k][1,9]dioxacyclohexadecines.","The Journal of organic chemistry","2017","82","19","10641","10649","10.1021/acs.joc.7b01646","","","0.7107","MoKα","","0.058","0.0424","","","0.0898","0.1026","","","","","","1.043","","","","has coordinates","202685","2020-10-21","18:00:00",""
"4032778","10.2367","0.0004","10.4404","0.0004","21.1129","0.0007","90","","90","","90","","2256.45","0.14","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H24 F3 N O4 -","- C26 H24 F3 N O4 -","- C104 H96 F12 N4 O16 -","4","1","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0259","0.0249","","","0.0612","0.0618","","","","","","1.067","","","","has coordinates","202688","2020-10-21","18:00:00",""
"4032779","8.9326","0.0002","13.1164","0.0003","14.6638","0.0004","90","0","93.0302","0.0012","90","0","1715.66","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H19 F3 N2 O4 -","- C16 H19 F3 N2 O4 -","- C64 H76 F12 N8 O16 -","4","2","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0342","0.0308","","","0.0699","0.0724","","","","","","1.1","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032780","9.0437","0.0002","13.1451","0.0003","15.6669","0.0004","90","","90","","90","","1862.49","0.08","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 F3 N2 O6 -","- C18 H19 F3 N2 O6 -","- C72 H76 F12 N8 O24 -","4","1","","Ben Jamaa, Abdelkhalek; Grellepois, Fabienne","Diastereoselective Ritter-like Reaction on Cyclic Trifluoromethylated N,O-Acetals Derived from l-Tartaric Acid.","The Journal of organic chemistry","2017","82","19","10360","10375","10.1021/acs.joc.7b01814","","","1.54178","CuKα","","0.0299","0.0278","","","0.064","0.0656","","","","","","0.958","","","","has coordinates,has disorder","202688","2020-10-21","18:00:00",""
"4032781","7.5159","0.0002","8.9376","0.0003","12.5585","0.0004","97.164","0.001","94.788","0.001","92.485","0.002","832.87","0.04","120","","120","","","","","","","","","4","P -1","-P 1","2","","Ethyl (±)-2-(((2R*,6R*)-4,4-dimethyl-2-oxido-6-phenyl -1,3,2-dioxaphosphinan-2-yl)oxy)-acrylate","","- C16 H21 O6 P -","- C16 H21 O6 P -","- C32 H42 O12 P2 -","2","1","","Malová Križková, Petra; Prechelmacher, Susanne; Roller, Alexander; Hammerschmidt, Friedrich","Chemical Synthesis of (RP)- and (SP)-[(16)O,(17)O,(18)O]Phosphoenol Pyruvate.","The Journal of organic chemistry","2017","82","19","10310","10318","10.1021/acs.joc.7b01783","","","0.71073","MoKα","","0.0407","0.0345","","","0.0852","0.0893","","","","","","1.04","","","","has coordinates","202690","2020-10-21","18:00:00",""
"4032782","9.2074","0.0017","11.5642","0.0005","9.5785","0.0018","90","","118.017","0.011","90","","900.4","0.3","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H26 O6 -","- C17 H26 O6 -","- C34 H52 O12 -","2","1","","Mondal, Santigopal; Mukherjee, Subrata; Das, Tamal Kanti; Gonnade, Rajesh G.; Biju, Akkattu T.","Enantioselective Synthesis of Functionalized β-Lactones by NHC-Catalyzed Aldol Lactonization of Ketoacids.","The Journal of organic chemistry","2017","82","17","9223","9228","10.1021/acs.joc.7b01526","","","1.54184","CuKα","","0.0226","0.0226","","","0.0652","0.0653","","","","","","1.019","","","","has coordinates","200453","2020-10-21","18:00:00",""
"4032783","6.8762","0.0004","14.6452","0.0008","15.4808","0.0009","90","","101.713","0.004","90","","1526.51","0.15","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Sarkar, Debayan; Rout, Nilendri; Ghosh, Manoj Kumar; Giri, Santanab; Neue, Kornelius; Reuter, Hans","Atom-Economical Palladium Carbon-Catalyzed de Novo Synthesis of Trisubstituted Nicotinonitriles.","The Journal of organic chemistry","2017","82","17","9012","9022","10.1021/acs.joc.7b01332","","","0.71073","MoKα","","0.0786","0.0502","","","0.1199","0.1361","","","","","","1.04","","","","has coordinates","200454","2020-10-21","18:00:00",""
"4032784","21.142","0.002","4.242","0.0004","10.6198","0.001","90","","90","","90","","952.43","0.16","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0333","0.0324","","","0.0788","0.0793","","","","","","1.171","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032785","9.1992","0.0008","4.6213","0.0003","25.2188","0.0018","90","","93.384","0.004","90","","1070.24","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N3 O3 -","- C11 H9 N3 O3 -","- C44 H36 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0694","0.0646","","","0.1787","0.1831","","","","","","1.083","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032786","8.9557","0.0003","26.4849","0.001","4.792","0.0002","90","","90","","90","","1136.62","0.07","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C12 H11 N3 O3 -","- C12 H11 N3 O3 -","- C48 H44 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0496","0.0445","","","0.109","0.1114","","","","","","1.073","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032787","4.8424","0.0002","9.2176","0.0004","27.531","0.0011","90","","90","","90","","1228.85","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H8 F3 N3 O3 -","- C12 H8 F3 N3 O3 -","- C48 H32 F12 N12 O12 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0396","0.0333","","","0.0739","0.0767","","","","","","1.069","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032788","6.9102","0.0002","7.5569","0.0003","21.8746","0.0007","95.895","0.002","96.939","0.002","94.396","0.002","1123.32","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 N3 O2 -","- C12 H11 N3 O2 -","- C48 H44 N12 O8 -","4","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0732","0.0573","","","0.1511","0.1612","","","","","","1.078","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032789","7.693","0.0002","6.6662","0.0002","7.3655","0.0002","90","","101.9","0.0012","90","","369.608","0.018","100","2","100","2","","","","","","","","4","C 1 m 1","C -2y","8","","","","- C6 H9 N3 O2 -","- C6 H9 N3 O2 -","- C12 H18 N6 O4 -","2","0.5","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0232","0.0232","","","0.0606","0.0606","","","","","","1.129","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032790","11.0134","0.0006","9.5835","0.0005","19.539","0.001","90","","90","","90","","2062.28","0.19","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C88 H88 N24 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0446","0.0346","","","0.0827","0.0891","","","","","","1.045","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032791","17.164","0.0007","4.9032","0.0002","11.0678","0.0004","90","","90","","90","","931.45","0.06","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H6 N4 O4 -","- C9 H6 N4 O4 -","- C36 H24 N16 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0346","0.0335","","","0.0868","0.0879","","","","","","1.059","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032792","10.0313","0.001","3.8374","0.0004","25.196","0.002","90","","96.953","0.006","90","","962.76","0.16","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H6 N4 O4 -","- C9 H6 N4 O4 -","- C36 H24 N16 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0491","0.0436","","","0.118","0.1222","","","","","","1.074","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032793","3.7941","0.0002","13.5676","0.001","18.5776","0.0013","90","","90.69","0.004","90","","956.25","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C40 H24 N16 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0417","0.0352","","","0.0907","0.094","","","","","","1.061","","","","has coordinates,has disorder","200456","2020-10-21","18:00:00",""
"4032794","11.9915","0.0003","14.3694","0.0004","11.2447","0.0003","90","","102.04","0.0011","90","","1894.96","0.09","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 N4 O2 -","- C10 H6 N4 O2 -","- C80 H48 N32 O16 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0464","0.0354","","","0.0769","0.0828","","","","","","1.089","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032795","3.79733","0.00006","11.3573","0.0002","26.8872","0.0004","90","","91.2826","0.001","90","","1159.28","0.03","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0396","0.0329","","","0.0796","0.084","","","","","","1.06","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032796","13.7446","0.0009","10.6979","0.0007","16.3339","0.0011","90","","110.418","0.001","90","","2250.8","0.3","100","2","100","2","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C10 H9 N3 O4 S -","- C10 H9 N3 O4 S -","- C80 H72 N24 O32 S8 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0741","0.049","","","0.1272","0.1458","","","","","","1.047","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032797","17.4187","0.0005","4.9357","0.0001","20.9705","0.0006","90","","90","","90","","1802.91","0.08","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C8 H5 N5 O4 -","- C8 H5 N5 O4 -","- C64 H40 N40 O32 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0324","0.028","","","0.069","0.0742","","","","","","1.074","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032798","18.6126","0.0008","26.1321","0.0012","8.1858","0.0004","90","","90","","90","","3981.5","0.3","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C8 H5 N5 O4 -","- C8 H5 N5 O4 -","- C128 H80 N80 O64 -","16","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0388","0.0373","","","0.0983","0.1002","","","","","","1.06","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032799","3.82","0.0003","13.4306","0.0011","17.8756","0.0014","90","","91.917","0.003","90","","916.59","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H5 N5 O2 -","- C9 H5 N5 O2 -","- C36 H20 N20 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0687","0.0522","","","0.1265","0.1441","","","","","","1.192","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032800","6.9695","0.0002","11.9143","0.0003","22.1069","0.0006","90","","90","","90","","1835.68","0.09","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C9 H5 N5 O2 -","- C9 H5 N5 O2 -","- C72 H40 N40 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0398","0.0323","","","0.0774","0.0817","","","","","","1.048","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032801","3.7784","0.0001","24.5524","0.0006","9.8852","0.0003","90","","97.1767","0.0016","90","","909.85","0.04","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H5 Br N4 O2 -","- C8 H5 Br N4 O2 -","- C32 H20 Br4 N16 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0245","0.0213","","","0.0451","0.0461","","","","","","1.152","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032802","16.8784","0.0002","6.79041","0.0001","17.2448","0.0003","90","","105.835","0.0008","90","","1901.45","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H5 I N4 O2 -","- C8 H5 I N4 O2 -","- C64 H40 I8 N32 O16 -","8","2","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.037","0.03","","","0.0597","0.0621","","","","","","1.072","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032803","5.9065","0.0002","23.8475","0.0007","6.561","0.0002","90","","106.476","0.0009","90","","886.2","0.05","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H4 Br N5 O2 -","- C7 H4 Br N5 O2 -","- C28 H16 Br4 N20 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0247","0.0207","","","0.0459","0.0472","","","","","","1.16","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032804","3.9074","0.0001","12.9574","0.0005","18.5066","0.0007","90","","90","","90","","936.98","0.06","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H9 N3 O2 -","- C10 H9 N3 O2 -","- C40 H36 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0397","0.0384","","","0.1072","0.1082","","","","","","1.084","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032805","7.8683","0.0005","11.5556","0.0008","11.5585","0.0008","90","","96.3412","0.0011","90","","1044.5","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H6 F3 N3 O2 -","- C10 H6 F3 N3 O2 -","- C40 H24 F12 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0441","0.038","","","0.0965","0.1021","","","","","","1.042","","","","has coordinates,has disorder","200456","2020-10-21","18:00:00",""
"4032806","3.81","0.0002","26.9866","0.0017","11.1734","0.0007","90","","94.412","0.004","90","","1145.43","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O4 -","- C12 H11 N3 O4 -","- C48 H44 N12 O16 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","1.54178","CuKα","","0.0372","0.0355","","","0.09","0.0911","","","","","","1.061","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032807","11.9252","0.001","11.1719","0.0009","14.2655","0.0012","90","","100.883","0.0014","90","","1866.4","0.3","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H6 Br N3 O2 -","- C9 H6 Br N3 O2 -","- C72 H48 Br8 N24 O16 -","8","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.0248","0.021","","","0.0573","0.0585","","","","","","1.112","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032808","7.2479","0.0008","16.0198","0.0018","10.5934","0.0012","90","","99.1343","0.0018","90","","1214.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 N3 O2 -","- C15 H11 N3 O2 -","- C60 H44 N12 O8 -","4","1","","Huang, Adrian; Wo, Kellie; Lee, So Yeun Christine; Kneitschel, Nika; Chang, Jennifer; Zhu, Kathleen; Mello, Tatsiana; Bancroft, Laura; Norman, Natalie J.; Zheng, Shao-Liang","Regioselective Synthesis, NMR, and Crystallographic Analysis of N1-Substituted Pyrazoles.","The Journal of organic chemistry","2017","82","17","8864","8872","10.1021/acs.joc.7b01006","","","0.71073","MoKα","","0.046","0.0358","","","0.0911","0.0978","","","","","","1.032","","","","has coordinates","200456","2020-10-21","18:00:00",""
"4032809","10.951","0.0007","11.4414","0.0007","11.9203","0.0007","86.741","0.005","63.415","0.006","86.611","0.005","1332.53","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H13 N3 O -","- C16 H13 N3 O -","- C64 H52 N12 O4 -","4","2","","Liu, Yi; Nie, Gang; Zhou, Zhongzhen; Jia, Lihui; Chen, Yunfeng","Copper-Catalyzed Oxidative Cross-Dehydrogenative Coupling/Oxidative Cycloaddition: Synthesis of 4-Acyl-1,2,3-Triazoles.","The Journal of organic chemistry","2017","82","17","9198","9203","10.1021/acs.joc.7b01429","","","0.71073","MoKα","","0.0763","0.0477","","","0.1104","0.1308","","","","","","1.053","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4032810","7.531","0.002","8.12","0.003","23.756","0.008","90","","94.41","0.007","90","","1448.4","0.8","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 N2 O2 -","- C20 H14 N2 O2 -","- C80 H56 N8 O8 -","4","1","","Biswas, Aniruddha; Karmakar, Ujjwal; Nandi, Shiny; Samanta, Rajarshi","Copper-Catalyzed Direct, Regioselective Arylamination of N-Oxides: Studies To Access Conjugated π-Systems.","The Journal of organic chemistry","2017","82","17","8933","8942","10.1021/acs.joc.7b01343","","","0.71073","MoKα","","0.1534","0.0745","","","0.1995","0.2842","","","","","","0.953","","","","has coordinates","200458","2020-10-21","18:00:00",""
"4032811","10.181","0.002","11.283","0.002","18.953","0.004","90","","99.67","0.03","90","","2146.2","0.8","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H23 N O2 -","- C27 H23 N O2 -","- C108 H92 N4 O8 -","4","1","","Liu, Yunyun; Zhang, Yi; Wan, Jie-Ping","Multicomponent Synthesis of Diverse o-Arylated Benzamides via o-Aminophenol (OAP) Directed C(sp(2))-H Arylation.","The Journal of organic chemistry","2017","82","17","8950","8957","10.1021/acs.joc.7b01375","","","0.71073","MoKα","","0.073","0.0432","","","0.1121","0.1331","","","","","","1.093","","","","has coordinates","200459","2020-10-21","18:00:00",""
"4032812","13.3569","0.0002","8.15707","0.00012","17.6178","0.0003","90","","107.156","0.0009","90","","1834.1","0.05","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 Br N O4 -","- C20 H20 Br N O4 -","- C80 H80 Br4 N4 O16 -","4","1","","Garve, Lennart K. B.; Kreft, Alexander; Jones, Peter G.; Werz, Daniel B.","Synthesis of 2-Unsubstituted Pyrrolidines and Piperidines from Donor-Acceptor Cyclopropanes and Cyclobutanes: 1,3,5-Triazinanes as Surrogates for Formylimines.","The Journal of organic chemistry","2017","82","17","9235","9242","10.1021/acs.joc.7b01631","","","1.54184","CuKα","","0.0333","0.0286","","","0.0709","0.0746","","","","","","1.046","","","","has coordinates","200460","2020-10-21","18:00:00",""
"4032813","10.5537","0.0016","8.9576","0.0013","11.7956","0.0019","90","","113.549","0.003","90","","1022.2","0.3","130","","130","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Tang, Mi; Sun, Rengwei; Li, Hao; Yu, Xinhong; Wang, Wei","An Unconventional Redox Cross Claisen Condensation-Aromatization of 4-Hydroxyprolines with Ketones.","The Journal of organic chemistry","2017","82","16","8419","8425","10.1021/acs.joc.7b01033","","","0.71073","MoKα","","0.0734","0.0506","","","0.1206","0.133","","","","","","1.031","","","","has coordinates","200461","2020-10-21","18:00:00",""
"4032814","17.0424","0.0008","5.8162","0.0003","21.1265","0.0012","90","","91.919","0.005","90","","2092.93","0.19","289.86","0.1","289.86","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 N O4 S -","- C25 H19 N O4 S -","- C100 H76 N4 O16 S4 -","4","1","","Zhu, Xin-Yu; Li, Ming; Han, Ya-Ping; Chen, Si; Li, Xue-Song; Liang, Yong-Min","Copper-Catalyzed Oxidative Cyclization of Alkynes with Sulfonylhydrazides Leading to 2-Sulfonated 9H-pyrrolo[1,2-a]indol-9-ones.","The Journal of organic chemistry","2017","82","16","8761","8768","10.1021/acs.joc.7b01497","","","0.71073","MoKα","","0.114","0.0633","","","0.1368","0.1746","","","","","","1.044","","","","has coordinates,has disorder","200462","2020-10-21","18:00:00",""
"4032815","12.2306","0.0004","9.0943","0.0003","13.4271","0.0005","90","","114.092","0.0008","90","","1363.38","0.08","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","(1S,2R,4S,5R)-2-((S)-hydroxy(1-methylquinolin-1-ium-4-yl) methyl)-1-(4-nitrobenzyl)-5-vinylquinuclidin-1-ium Iodide Bromide Monohydrate","","- C27 H33 Br I N3 O4 -","- C27 H33 Br I N3 O4 -","- C54 H66 Br2 I2 N6 O8 -","2","1","","He, Cyndi Qixin; Simon, Adam; Lam, Yu-Hong; Brunskill, Andrew P. J.; Yasuda, Nobuyoshi; Tan, Jiajing; Hyde, Alan M.; Sherer, Edward C.; Houk, K. N.","Model for the Enantioselectivity of Asymmetric Intramolecular Alkylations by Bis-Quaternized Cinchona Alkaloid-Derived Catalysts.","The Journal of organic chemistry","2017","82","16","8645","8650","10.1021/acs.joc.7b01577","","","1.54178","CuKα","","0.0474","0.0474","","","0.1256","0.1256","","","","","","1.064","","","","has coordinates","200463","2020-10-21","18:00:00",""
"4032816","11.377","0.005","30.75","0.014","15.411","0.007","90","","91.92","0.006","90","","5388","4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H36 O5 -","- C29 H36 O5 -","- C232 H288 O40 -","8","2","","Yuan, Zhenbo; Liu, Lina; Pan, Rui; Yao, Hequan; Lin, Aijun","Silver-Catalyzed Cascade 1,6-Addition/Cyclization of para-Quinone Methides with Propargyl Malonates: An Approach to Spiro[4.5]deca-6,9-dien-8-ones.","The Journal of organic chemistry","2017","82","16","8743","8751","10.1021/acs.joc.7b01400","","","0.71073","MoKα","","0.1193","0.0664","","","0.1675","0.1898","","","","","","0.978","","","","has coordinates","200464","2020-10-21","18:00:00",""
"4032817","16.13","0.003","10.2406","0.0018","23.601","0.004","90","","102.039","0.003","90","","3812.7","1.2","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C70 H8 S4 -","- C70 H8 S4 -","- C280 H32 S16 -","4","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.1097","0.083","","","0.2133","0.2273","","","","","","1.114","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032818","10.158","0.0012","19.515","0.002","23.955","0.003","90","","94.195","0.002","90","","4736","0.9","188","2","188","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C79 H16 S6 -","- C79 H16 S6 -","- C316 H64 S24 -","4","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.1171","0.0689","","","0.1627","0.1934","","","","","","1.019","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032819","22.3397","0.0019","10.2812","0.0009","20.0732","0.0017","90","","100.056","0.001","90","","4539.6","0.7","188","2","188","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C39 H9 Cl3 -","- C39 H9 Cl3 -","- C312 H72 Cl24 -","8","1","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","0.71073","MoKα","","0.0791","0.0562","","","0.1321","0.1469","","","","","","1.028","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032820","22.5926","0.0006","17.1813","0.0004","24.2882","0.0006","90","","116.291","0.001","90","","8452.7","0.4","190","2","190","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C82 H22 -","- C82 H22 -","- C656 H176 -","8","2","","Li, Zong-Jun; Wang, Sisi; Li, Shu-Hui; Sun, Tao; Yang, Wei-Wei; Shoyama, Kazutaka; Nakagawa, Takafumi; Jeon, Il; Yang, Xiaoniu; Matsuo, Yutaka; Gao, Xiang","Regiocontrolled Electrosynthesis of [60]Fullerene Bisadducts: Photovoltaic Performance and Crystal Structures of C60 o-Quinodimethane Bisadducts.","The Journal of organic chemistry","2017","82","16","8676","8685","10.1021/acs.joc.7b01732","","","1.54184","CuKα","","0.0672","0.0431","","","0.0994","0.1108","","","","","","1.045","","","","has coordinates","200466","2020-10-21","18:00:00",""
"4032821","12.785","0.006","20.503","0.009","7.913","0.003","90","","96.022","0.013","90","","2062.8","1.5","297","2","297","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H18 Br N O3 -","- C25 H18 Br N O3 -","- C100 H72 Br4 N4 O12 -","4","1","","Xia, Xiao-Feng; Zhang, Guo-Wei; Wang, Dawei; Zhu, Su-Li","Visible-Light Induced and Oxygen-Promoted Oxidative Cyclization of Aromatic Enamines for the Synthesis of Quinolines Derivatives.","The Journal of organic chemistry","2017","82","16","8455","8463","10.1021/acs.joc.7b01206","","","0.71073","MoKα","","0.066","0.0447","","","0.1057","0.1222","","","","","","1.05","","","","has coordinates","200467","2020-10-21","18:00:00",""
"4032822","9.2638","0.0008","10.2009","0.0009","14.8127","0.0012","72.639","0.002","83.77","0.002","65.418","0.002","1214.73","0.18","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H27 O3 P S -","- C27 H27 O3 P S -","- C54 H54 O6 P2 S2 -","2","1","","Luo, Kai; Zhang, Ling; Ma, Jing; Sha, Qiang; Wu, Lei","Acetic Acid Mediated Sulfonylation of Allenylphosphine Oxides: Divergent Synthesis of Bifunctionalized 1,3-Butadienes and Allenes.","The Journal of organic chemistry","2017","82","13","6978","6985","10.1021/acs.joc.7b00813","","","0.71073","MoKα","","0.1004","0.065","","","0.1592","0.1726","","","","","","1.06","","","","has coordinates","200468","2020-10-21","18:00:00",""
"4032823","8.57829","0.00016","18.2622","0.0003","15.8812","0.0003","90","","95.524","0.007","90","","2476.37","0.08","93","","93","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C24 H29 F3 N2 O3 Si -","- C24 H29 F3 N2 O3 Si -","- C96 H116 F12 N8 O12 Si4 -","4","2","","Matsuzawa, Akinobu; Noda, Hidetoshi; Kumagai, Naoya; Shibasaki, Masakatsu","Direct Catalytic Asymmetric Aldol Addition of an α-CF3 Amide to Arylglyoxal Hydrates.","The Journal of organic chemistry","2017","82","15","8304","8308","10.1021/acs.joc.7b01381","","","1.54187","CuKα","","0.0394","0.036","","","0.0949","0.0998","","","","","","1.123","","","","has coordinates","200469","2020-10-21","18:00:00",""
"4032824","10.415","0.002","12.716","0.003","10.387","0.002","90","","110.369","0.005","90","","1289.6","0.5","296","2","296.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O -","- C15 H14 N2 O -","- C60 H56 N8 O4 -","4","1","","Chu, Haoke; Dai, Qiang; Jiang, Yan; Cheng, Jiang","Synthesis of 2-Amino-3-hydroxy-3H-indoles via Palladium-Catalyzed One-Pot Reaction of Isonitriles, Oxygen, and N-Tosylhydrazones Derived from 2-Acylanilines.","The Journal of organic chemistry","2017","82","15","8267","8272","10.1021/acs.joc.7b01195","","","0.71073","MoKα","","0.089","0.058","","","0.1484","0.1724","","","","","","1.042","","","","has coordinates","200470","2020-10-21","18:00:00",""
"4032825","7.3153","0.0001","31.4358","0.0003","7.8245","0.0001","90","","94.8743","0.0008","90","","1792.83","0.04","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H23 O7.5 -","- C18 H23 O7.5 -","- C72 H92 O30 -","4","2","","Buckler, Joshua N.; Taher, Ehab S.; Fraser, Nicolas J.; Willis, Anthony C.; Carr, Paul D.; Jackson, Colin J.; Banwell, Martin G.","The Synthesis of Certain Derivatives and Analogues of (-)- and (+)-Galanthamine and an Assessment of their Capacities to Inhibit Acetylcholine Esterase.","The Journal of organic chemistry","2017","82","15","7869","7886","10.1021/acs.joc.7b01062","","","1.54184","CuKα","","0.0309","0.0306","","0.0788","0.0786","0.0788","","","","","","1","","","","has coordinates","200471","2020-10-21","18:00:00",""
"4032826","8.1119","0.0008","9.8266","0.0011","11.556","0.0012","76.289","0.009","86.458","0.008","78.125","0.009","875.67","0.17","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H19 N3 O3 -","- C20 H19 N3 O3 -","- C40 H38 N6 O6 -","2","1","","Zhao, Xuna; Liu, Tong-Xin; Ma, Nana; Zhang, Guisheng","In Situ Generated TEMPO Oxoammonium Salt Mediated Tandem Cyclization of β-Oxoamides with Amine Hydrochlorides for the Synthesis of Pyrrolin-4-ones.","The Journal of organic chemistry","2017","82","12","6125","6132","10.1021/acs.joc.7b00686","","","1.54184","CuKα","","0.0509","0.039","","","0.0971","0.109","","","","","","1.032","","","","has coordinates","200472","2020-10-21","18:00:00",""
"4032827","14.7063","0.0004","10.0708","0.0003","14.2801","0.0004","90","","101.103","0.001","90","","2075.36","0.1","110","2","110","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H28 N2 S2 -","- C24 H28 N2 S2 -","- C96 H112 N8 S8 -","4","1","","Shokri, Siamak; Li, Jingbai; Manna, Manoj K.; Wiederrecht, Gary P.; Gosztola, David J.; Ugrinov, Angel; Jockusch, Steffen; Rogachev, Andrey Yu; Ayitou, A Jean-Luc","A Naphtho-p-quinodimethane Exhibiting Baird's (Anti)Aromaticity, Broken Symmetry, and Attractive Photoluminescence.","The Journal of organic chemistry","2017","82","19","10167","10173","10.1021/acs.joc.7b01647","","","1.54178","CuKα","","0.0361","0.0331","","","0.0864","0.0888","","","","","","1.067","","","","has coordinates","202684","2020-10-21","18:00:00",""
"4032828","9.136","0.007","8.483","0.007","13.462","0.009","90","","100.47","0.02","90","","1025.9","1.3","199","2","199","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 N2 O4 -","- C24 H26 N2 O4 -","- C48 H52 N4 O8 -","2","0.5","","Shokri, Siamak; Li, Jingbai; Manna, Manoj K.; Wiederrecht, Gary P.; Gosztola, David J.; Ugrinov, Angel; Jockusch, Steffen; Rogachev, Andrey Yu; Ayitou, A Jean-Luc","A Naphtho-p-quinodimethane Exhibiting Baird's (Anti)Aromaticity, Broken Symmetry, and Attractive Photoluminescence.","The Journal of organic chemistry","2017","82","19","10167","10173","10.1021/acs.joc.7b01647","","","0.71073","MoKα","","0.1173","0.0716","","","0.1739","0.2009","","","","","","1.053","","","","has coordinates","202684","2020-10-21","18:00:00",""
"4032829","10.0344","0.0002","10.3739","0.0002","11.6159","0.0002","87.53","0.001","67.052","0.001","61.903","0.001","967.44","0.03","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F3 I O4 S -","- C19 H16 F3 I O4 S -","- C38 H32 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","1.54178","CuKα","","0.0206","0.0205","","","0.0532","0.0533","","","","","","1.035","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032830","9.633","0.0008","9.8645","0.0008","10.6804","0.0009","109.007","0.001","106.612","0.001","93.966","0.001","904.65","0.13","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 F3 I O4 S -","- C18 H14 F3 I O4 S -","- C36 H28 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0147","0.0142","","","0.038","0.0384","","","","","","0.974","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032831","9.9635","0.0004","10.1328","0.0004","11.7246","0.0004","91.875","0.001","111.958","0.001","112.635","0.001","991.46","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H16 F3 I O4 S -","- C19 H16 F3 I O4 S -","- C38 H32 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0149","0.0147","","","0.0427","0.0429","","","","","","1.039","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032832","9.9729","0.0005","10.6715","0.0005","12.206","0.0006","102.541","0.001","111.255","0.001","108.094","0.001","1068.12","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H20 F3 I O4 S -","- C21 H20 F3 I O4 S -","- C42 H40 F6 I2 O8 S2 -","2","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","0.71073","MoKα","","0.0189","0.0178","","","0.0441","0.0447","","","","","","1.08","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032833","14.6631","0.0015","6.8524","0.0007","23.29","0.002","90","","99.566","0.005","90","","2307.6","0.4","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 F9 I O4 S -","- C21 H14 F9 I O4 S -","- C84 H56 F36 I4 O16 S4 -","4","1","","Hinkle, Robert J.; Bredenkamp, Sarah E.; Pike, Robert D.; Cheon, Seong Ik","Electrophilic Cyclization of Phenylalkynediols to Naphthyl(aryl)iodonium Triflates with Chelating Hydroxyls: Preparation and X-ray Analyses.","The Journal of organic chemistry","2017","82","22","11781","11786","10.1021/acs.joc.7b01619","","","1.54178","CuKα","","0.0524","0.0495","","","0.145","0.1477","","","","","","1.133","","","","has coordinates","204823","2020-10-21","18:00:00",""
"4032834","7.1678","0.0009","10.6157","0.0014","14.7091","0.0019","84.423","0.011","85.186","0.011","77.35","0.011","1084.6","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H16 N4 O4 S2 -","- C24 H16 N4 O4 S2 -","- C48 H32 N8 O8 S4 -","2","1","","Patra, Sumit Kumar; Sheet, Sanjoy Kumar; Sen, Bhaskar; Aguan, Kripamoy; Roy, Debesh Ranjan; Khatua, Snehadrinarayan","Highly Sensitive Bifunctional Probe for Colorimetric Cyanide and Fluorometric H2S Detection and Bioimaging: Spontaneous Resolution, Aggregation, and Multicolor Fluorescence of Bisulfide Adduct.","The Journal of organic chemistry","2017","82","19","10234","10246","10.1021/acs.joc.7b01743","","","0.71073","MoKα","","0.141","0.1072","","","0.2896","0.3227","","","","","","1.093","","","","has coordinates,has disorder","202689","2020-10-21","18:00:00",""
"4032835","10.81","0.0008","14.1314","0.0016","8.1358","0.0006","90","","90","","90","","1242.83","0.19","293","2","293","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C12 H10 N2 O2 S2 -","- C12 H10 N2 O2 S2 -","- C48 H40 N8 O8 S8 -","4","1","","Patra, Sumit Kumar; Sheet, Sanjoy Kumar; Sen, Bhaskar; Aguan, Kripamoy; Roy, Debesh Ranjan; Khatua, Snehadrinarayan","Highly Sensitive Bifunctional Probe for Colorimetric Cyanide and Fluorometric H2S Detection and Bioimaging: Spontaneous Resolution, Aggregation, and Multicolor Fluorescence of Bisulfide Adduct.","The Journal of organic chemistry","2017","82","19","10234","10246","10.1021/acs.joc.7b01743","","","0.71073","MoKα","","0.0375","0.0325","","","0.0865","0.0909","","","","","","1.067","","","","has coordinates","202689","2020-10-21","18:00:00",""
"4032836","30.731","0.002","29.5041","0.0019","11.0727","0.0007","90","","95.596","0.002","90","","9991.7","1.1","273","2","273.15","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C52 N4 O4 -","- C52 N4 O4 -","- C416 N32 O32 -","8","2","","Vlasceanu, Alexandru; Frandsen, Benjamin N.; Skov, Anders B.; Hansen, Anne Schou; Rasmussen, Mads Georg; Kjaergaard, Henrik G.; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Photoswitchable Dihydroazulene Macrocycles for Solar Energy Storage: The Effects of Ring Strain.","The Journal of organic chemistry","2017","82","19","10398","10407","10.1021/acs.joc.7b01760","","","0.71073","MoKα","","0.1633","0.1141","","","0.3001","0.3345","","","","","","1.0989","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4032837","10.9966","0.0016","11.7042","0.0016","17.918","0.003","74.512","0.004","86.687","0.004","86.239","0.004","2215.7","0.6","273","2","273.15","","","","","","","","","3","P -1","-P 1","2","","","","- C56 N4 O4 -","- C56 N4 O4 -","- C112 N8 O8 -","2","1","","Vlasceanu, Alexandru; Frandsen, Benjamin N.; Skov, Anders B.; Hansen, Anne Schou; Rasmussen, Mads Georg; Kjaergaard, Henrik G.; Mikkelsen, Kurt V.; Nielsen, Mogens Brøndsted","Photoswitchable Dihydroazulene Macrocycles for Solar Energy Storage: The Effects of Ring Strain.","The Journal of organic chemistry","2017","82","19","10398","10407","10.1021/acs.joc.7b01760","","","0.71073","MoKα","","0.1358","0.0982","","","0.2689","0.3129","","","","","","1.0882","","","","has coordinates,has disorder","202692","2020-10-21","18:00:00",""
"4032838","9.3519","0.0019","9.4398","0.0019","11.185","0.002","95.51","0.004","114.285","0.004","101.901","0.004","862.4","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 Br F2 -","- C24 H13 Br F2 -","- C48 H26 Br2 F4 -","2","1","","Sun, Ning; Chen, Haoyi; Li, Xiangdong; Xu, Murong; Gan, Yi; Zhang, Liangwei; Liu, Yuanhong","PBr3-Mediated Cyclization of 1,7-Diyn-3,6-bis(propargyl carbonate)s: Synthesis of 5-Bromotetracenes.","The Journal of organic chemistry","2017","82","19","10051","10061","10.1021/acs.joc.7b01519","","","0.71073","MoKα","","0.0447","0.0347","","","0.0891","0.0942","","","","","","1.032","","","","has coordinates","202695","2020-10-21","18:00:00",""
"4032839","11.5087","0.0018","12.063","0.0018","13.724","0.002","94.057","0.003","96.328","0.003","118.373","0.003","1649.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H13 Br S -","- C22 H13 Br S -","- C88 H52 Br4 S4 -","4","2","","Sun, Ning; Chen, Haoyi; Li, Xiangdong; Xu, Murong; Gan, Yi; Zhang, Liangwei; Liu, Yuanhong","PBr3-Mediated Cyclization of 1,7-Diyn-3,6-bis(propargyl carbonate)s: Synthesis of 5-Bromotetracenes.","The Journal of organic chemistry","2017","82","19","10051","10061","10.1021/acs.joc.7b01519","","","0.71073","MoKα","","0.0688","0.0455","","","0.1103","0.1216","","","","","","0.99","","","","has coordinates","202695","2020-10-21","18:00:00",""
"4032840","7.0234","0.0003","26.33","0.0009","7.4708","0.0003","90","","90.907","0.004","90","","1381.37","0.09","173","2","173.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","2","","Zhou, Bo; Li, Long; Liu, Xin; Tan, Tong-De; Liu, Jinxian; Ye, Long-Wu","Yttrium-Catalyzed Tandem Intermolecular Hydroalkoxylation/Claisen Rearrangement.","The Journal of organic chemistry","2017","82","19","10149","10157","10.1021/acs.joc.7b01612","","x-ray","1.54184","CuKα","","0.0514","0.0435","","","0.0931","0.1007","","","","","","1.016","","","","has coordinates","202710","2020-10-21","18:00:00",""
"4032841","4.5484","0.0004","12.7871","0.0012","13.9287","0.0014","115.468","0.009","91.873","0.007","97.603","0.007","721.31","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C38 H28 N4 O4 -","2","1","","Li, Ting; Fu, Chen; Ma, Qinge; Sang, Zhipei; Yang, Yuhan; Yang, Hao; Lv, Rongrong; Li, Bo","Cobalt/Copper-Cocatalyzed Synthesis of Imidazo[1,2-a:3,4-a']dipyridiniums from 2H-[1,2'-Bipyridin]-2-ones and 2-Bromoacetophenones.","The Journal of organic chemistry","2017","82","19","10263","10270","10.1021/acs.joc.7b01742","","","0.71073","MoKα","","0.1193","0.0639","","","0.1533","0.1965","","","","","","0.922","","","","has coordinates","202686","2020-10-21","18:00:00",""
"4032842","11.8025","0.0007","20.7261","0.0013","24.3022","0.0015","90","","99.226","0.002","90","","5867.9","0.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55 H68 N7 O24 -","- C55 H68 N7 O24 -","- C220 H272 N28 O96 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.0981","0.0587","","","0.1646","0.21","","","","","","1.029","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032843","38.167","0.005","16.311","0.002","20.656","0.003","90","","109.581","0.004","90","","12116","3","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C55 H69 N7 O24 -","- C55 H69 N7 O24 -","- C440 H552 N56 O192 -","8","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1299","0.0753","","","0.1969","0.2219","","","","","","1.024","","","","has coordinates,has disorder","202704","2020-10-21","18:00:00",""
"4032844","19.851","0.003","14.2576","0.0019","23.979","0.003","90","","101.033","0.003","90","","6661.3","1.6","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C54 H72 N7 O29 -","- C54 H72 N7 O29 -","- C216 H288 N28 O116 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1357","0.09","","","0.2396","0.2672","","","","","","1.088","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032845","12.0232","0.0016","14.837","0.002","21.708","0.003","100.853","0.004","94.193","0.004","107.65","0.004","3588.9","0.8","150","2","150","2","","","","","","","","4","P -1","-P 1","2","PIM","PIM","","- C60 H85 N7 O24 -","- C60 H84 N7 O24 -","- C120 H168 N14 O48 -","2","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.142","0.1178","","","0.3399","0.3754","","","","","","1.661","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032846","12.685","0.002","17.544","0.003","29.713","0.005","90","","104.402","0.007","90","","6404.7","1.8","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C62 H88 N7 O16 -","- C62 H88 N7 O16 -","- C248 H352 N28 O64 -","4","1","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.0901","0.062","","","0.1498","0.1664","","","","","","1.072","","","","has coordinates","202704","2020-10-21","18:00:00",""
"4032847","12.2639","0.0008","12.7251","0.0008","22.7496","0.0015","87.293","0.002","87.843","0.002","79.827","0.002","3489","0.4","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H126 N14 O52 -","- C117 H126 N14 O52 -","- C117 H126 N14 O52 -","1","0.5","","Chakraborty, Sourav; Saha, Subrata; Lima, Luís M P; Warzok, Ulrike; Sarkar, Sayan; Akhuli, Bidyut; Nandi, Mandira; Bej, Somnath; Adarsh, Nayarassery N.; Schalley, Christoph A.; Delgado, Rita; Ghosh, Pradyut","Polyamide-Polyamine Cryptand as Dicarboxylate Receptor: Dianion Binding Studies in the Solid State, in Solution, and in the Gas Phase.","The Journal of organic chemistry","2017","82","19","10007","10014","10.1021/acs.joc.7b01431","","","0.71073","MoKα","","0.1367","0.1078","","","0.3369","0.3703","","","","","","1.463","","","","has coordinates,has disorder","202704","2020-10-21","18:00:00",""
"4032848","16.957","0.003","7.7224","0.0015","18.204","0.004","90","","90","","90","","2383.8","0.8","153.15","","153.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H12 N2 O -","- C16 H12 N2 O -","- C128 H96 N16 O8 -","8","1","","Wang, Xiaoxia; Li, Na; Li, Zhongfeng; Rao, Honghua","Copper-Catalyzed Dehydrogenative C(sp(2))-N Bond Formation via Direct Oxidative Activation of an Anilidic N-H Bond: Synthesis of Benzoimidazo[1,2-a]indoles.","The Journal of organic chemistry","2017","82","19","10158","10166","10.1021/acs.joc.7b01617","","","0.71073","MoKα","","0.0966","0.0801","","","0.1663","0.1864","","","","","","1.209","","","","has coordinates","202677","2020-10-21","18:00:00",""
"4032849","7.3223","0.0013","5.9112","0.0009","16.224","0.005","90","","93.79","0.02","90","","700.7","0.3","291.13","0.1","291.13","0.1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H16 O3 S -","- C15 H16 O3 S -","- C30 H32 O6 S2 -","2","1","","Wang, Yajun; Jiang, Wei; Huo, Congde","One-Pot Synthesis of β-Hydroxysulfones and Its Application in the Preparation of Anticancer Drug Bicalutamide.","The Journal of organic chemistry","2017","82","19","10628","10634","10.1021/acs.joc.7b01371","","x-ray","0.71073","MoKα","","0.315","0.1057","","","0.13","0.216","","","","","","0.979","","","","has coordinates","202673","2020-10-21","18:00:00",""
"4032850","9.4351","0.0007","5.8009","0.0003","13.4209","0.0014","90","","103.224","0.01","90","","715.08","0.1","289.6","0.2","289.6","0.2","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C15 H16 O4 S -","- C15 H16 O4 S -","- C30 H32 O8 S2 -","2","1","","Wang, Yajun; Jiang, Wei; Huo, Congde","One-Pot Synthesis of β-Hydroxysulfones and Its Application in the Preparation of Anticancer Drug Bicalutamide.","The Journal of organic chemistry","2017","82","19","10628","10634","10.1021/acs.joc.7b01371","","","0.71073","MoKα","","0.0873","0.0557","","","0.0817","0.0985","","","","","","1.045","","","","has coordinates","202673","2020-10-21","18:00:00",""
"4032851","5.9265","0.0003","11.8003","0.0006","10.0928","0.0006","90","","98.24","0.006","90","","698.55","0.07","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H16 F3 N O3 -","- C14 H16 F3 N O3 -","- C28 H32 F6 N2 O6 -","2","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0497","0.0436","","","0.1134","0.1192","","","","","","1.062","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032852","5.7347","0.00007","12.45975","0.00015","20.4676","0.0003","90","","90","","90","","1462.47","0.03","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H18 F3 N O3 -","- C15 H18 F3 N O3 -","- C60 H72 F12 N4 O12 -","4","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0376","0.0369","","","0.0979","0.0989","","","","","","1.063","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032853","27.2782","0.0005","27.2782","0.0005","10.61163","0.00018","90","","90","","120","","6838.2","0.2","100","0.1","100","0.1","","","","","","","","5","R 3","R 3","146","","","","- C14 H18 F3 N O2 -","- C14 H18 F3 N O2 -","- C252 H324 F54 N18 O36 -","18","","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0911","0.0826","","","0.2245","0.2364","","","","","","1.064","","","","has coordinates,has disorder","202703","2020-10-21","18:00:00",""
"4032854","9.9857","0.0006","14.0575","0.0007","11.098","0.0006","90","","109.932","0.007","90","","1464.55","0.15","100","0.1","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H18 F3 N O2 -","- C14 H18 F3 N O2 -","- C56 H72 F12 N4 O8 -","4","2","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0619","0.0524","","","0.1372","0.1522","","","","","","1.05","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032855","9.5853","0.00014","10.83863","0.00013","20.3107","0.0002","90","","90","","90","","2110.11","0.04","100","0.1","100","0.1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 F3 N2 O -","- C25 H25 F3 N2 O -","- C100 H100 F12 N8 O4 -","4","1","","Dolfen, Jeroen; Boydas, Esma Birsen; Van Speybroeck, Veronique; Catak, Saron; Van Hecke, Kristof; D'hooghe, Matthias","Asymmetric Synthesis of 3,4-Disubstituted 2-(Trifluoromethyl)pyrrolidines through Rearrangement of Chiral 2-(2,2,2-Trifluoro-1-hydroxyethyl)azetidines.","The Journal of organic chemistry","2017","82","19","10092","10109","10.1021/acs.joc.7b01241","","x-ray","1.54184","CuKα","","0.0523","0.0449","","","0.1081","0.1155","","","","","","1.047","","","","has coordinates","202703","2020-10-21","18:00:00",""
"4032856","11.2751","0.0003","9.9229","0.0003","20.6082","0.0007","90","","101.993","0.0016","90","","2255.36","0.12","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O5 -","- C26 H24 N2 O5 -","- C104 H96 N8 O20 -","4","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.1321","0.0561","","0.1053","0.0668","0.0711","","","","","","1.1","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032857","5.13742","0.00016","9.0247","0.0003","13.0607","0.0005","90","","94.461","0.003","90","","603.71","0.04","150","","150","","","","","","","","","4","P 1 n 1","P -2yac","7","","","","- C14 H19 N O -","- C14 H19 N O -","- C28 H38 N2 O2 -","2","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","1.54184","CuKα","","0.0278","0.0273","","0.0691","0.0686","0.0691","","","","","","1.0091","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032858","6.738","0.0002","9.4072","0.0003","19.3817","0.0008","99.2201","0.0014","98.4462","0.0014","95.3839","0.0018","1190.8","0.07","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N2 O5 -","- C28 H28 N2 O5 -","- C56 H56 N4 O10 -","2","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.0815","0.0656","","0.0871","0.0729","0.0707","","","","","","1.1205","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032859","14.5382","0.0002","10.7629","0.0002","22.8787","0.0004","90","","103.72","0.0008","90","","3477.76","0.1","150","","150","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H25 N O2 -","- C21 H25 N O2 -","- C168 H200 N8 O16 -","8","1","","Brambilla, Marta; Brennan, Méabh B; Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Kennett, Alice M. R.; Lee, James A.; Roberts, Paul M.; Russell, Angela J.; Thomson, James E.","Probing Competitive and Co-operative Hydroxyl and Ammonium Hydrogen-Bonding Directed Epoxidations.","The Journal of organic chemistry","2017","82","19","10297","10309","10.1021/acs.joc.7b01774","","","0.71073","MoKα","","0.0604","0.0396","","0.0903","0.0825","0.0903","","","","","","0.9674","","","","has coordinates","202698","2020-10-21","18:00:00",""
"4032860","6.85883","0.00014","8.78905","0.00014","13.309","0.0002","98.1952","0.0012","100.839","0.001","92.0569","0.0007","778.32","0.02","296","2","296","2","","","","","","","","4","P -1","-P 1","2","YWS-267-2","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C34 H36 N4 O6 -","2","1","","Park, Sangjune; Kim, Hyunseok; Son, Jeong-Yu; Um, Kyusik; Lee, Sooho; Baek, Yonghyeon; Seo, Boram; Lee, Phil Ho","Synthesis of Imidazopyridines via Copper-Catalyzed, Formal Aza-[3 + 2] Cycloaddition Reaction of Pyridine Derivatives with α-Diazo Oxime Ethers.","The Journal of organic chemistry","2017","82","19","10209","10218","10.1021/acs.joc.7b01714","","","0.71073","","","0.1088","0.0601","","","0.1498","0.178","","","","","","1.041","","","","has coordinates","202700","2020-10-21","18:00:00",""
"4032861","10.4633","0.0002","52.1683","0.0012","9.0153","0.0002","90","","105.651","0.0012","90","","4738.57","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","PSJ-2510-up","","","- C17 H13 F3 N2 O2 -","- C17 H13 F3 N2 O2 -","- C204 H156 F36 N24 O24 -","12","3","","Park, Sangjune; Kim, Hyunseok; Son, Jeong-Yu; Um, Kyusik; Lee, Sooho; Baek, Yonghyeon; Seo, Boram; Lee, Phil Ho","Synthesis of Imidazopyridines via Copper-Catalyzed, Formal Aza-[3 + 2] Cycloaddition Reaction of Pyridine Derivatives with α-Diazo Oxime Ethers.","The Journal of organic chemistry","2017","82","19","10209","10218","10.1021/acs.joc.7b01714","","","0.71073","","","0.1725","0.0963","","","0.1424","0.1668","","","","","","1.085","","","","has coordinates","202700","2020-10-21","18:00:00",""
"4032862","8.981","0.0006","9.1535","0.0005","20.8614","0.0014","90","","90","","90","","1714.97","0.19","294","2","294","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C17 H15 Br F N O3 S -","- C17 H15 Br F N O3 S -","- C68 H60 Br4 F4 N4 O12 S4 -","4","1","","Chen, Jiteng; Zhao, Xiaoming; Dan, Wenyan","Diasteroselective and Enantioselective Ir-Catalyzed Allylic Substitutions of 1-Substituted 1-Fluoro-1-(arenesulfonyl)methylene Derivatives.","The Journal of organic chemistry","2017","82","19","10693","10698","10.1021/acs.joc.7b01782","","","0.71073","MoKα","","0.0435","0.0344","","","0.0878","0.0939","","","","","","1.035","","","","has coordinates","202701","2020-10-21","18:00:00",""
"4032863","8.5286","0.0004","10.1752","0.0004","21.0585","0.0007","90","","90","","90","","1827.46","0.13","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br F O4 S -","- C18 H16 Br F O4 S -","- C72 H64 Br4 F4 O16 S4 -","4","1","","Chen, Jiteng; Zhao, Xiaoming; Dan, Wenyan","Diasteroselective and Enantioselective Ir-Catalyzed Allylic Substitutions of 1-Substituted 1-Fluoro-1-(arenesulfonyl)methylene Derivatives.","The Journal of organic chemistry","2017","82","19","10693","10698","10.1021/acs.joc.7b01782","","","0.71073","MoKα","","0.037","0.0289","","","0.0616","0.064","","","","","","1.061","","","","has coordinates","202701","2020-10-21","18:00:00",""
"4032864","11.8453","0.0011","12.0707","0.0012","12.4256","0.0012","88.758","0.002","71.129","0.001","73.239","0.001","1604.7","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H40 N2 -","- C40 H40 N2 -","- C80 H80 N4 -","2","1","","Feng, Ruokun; Ning, Hanqi; Su, Han; Gao, Yuan; Yin, Haotian; Wang, Yudan; Yang, Zhen; Qi, Chenze","Selective Synthesis of Alkynylated Isoquinolines and Biisoquinolines via Rh(III) Catalyzed C-H Activation/1,3-Diyne Strategy.","The Journal of organic chemistry","2017","82","19","10408","10417","10.1021/acs.joc.7b01867","","","0.71073","MoKα","","0.1279","0.0558","","","0.1281","0.1554","","","","","","0.84","","","","has coordinates,has disorder","202711","2020-10-21","18:00:00",""
"4032865","8.4609","0.0007","12.4431","0.0011","8.234","0.0008","90","","99.375","0.002","90","","855.3","0.13","298","2","298","2","","","","","","","","3","P 1 c 1","P -2yc","7","","","","- C24 H17 N -","- C24 H17 N -","- C48 H34 N2 -","2","1","","Feng, Ruokun; Ning, Hanqi; Su, Han; Gao, Yuan; Yin, Haotian; Wang, Yudan; Yang, Zhen; Qi, Chenze","Selective Synthesis of Alkynylated Isoquinolines and Biisoquinolines via Rh(III) Catalyzed C-H Activation/1,3-Diyne Strategy.","The Journal of organic chemistry","2017","82","19","10408","10417","10.1021/acs.joc.7b01867","","","0.71073","MoKα","","0.0831","0.0486","","","0.1286","0.1518","","","","","","1.008","","","","has coordinates","202711","2020-10-21","18:00:00",""
"4032866","9.1169","0.0019","10.066","0.002","13.129","0.003","90","","90","","90","","1204.9","0.4","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","(1'S,2'R,3'S,4'R)-3'-bromo-2',4'-dihydroxy-3',4'-dihydro-2'H,3H-spiro[furan-2,1'-naphthalen]-5(4H)-one","","","- C13 H13 Br O4 -","- C13 H13 Br O4 -","- C52 H52 Br4 O16 -","4","1","","Uyanik, Muhammet; Yasui, Takeshi; Ishihara, Kazuaki","Chiral Hypervalent Organoiodine-Catalyzed Enantioselective Oxidative Spirolactonization of Naphthol Derivatives.","The Journal of organic chemistry","2017","82","22","11946","11953","10.1021/acs.joc.7b01941","","","0.71073","MoKα","","0.0199","0.019","","","0.0456","0.0458","","","","","","1.02","","","","has coordinates","204822","2020-10-21","18:00:00",""
"4032867","9.1853","0.0012","18.882","0.002","13.3012","0.0017","89.973","0.002","92.232","0.002","90.086","0.002","2305.2","0.5","173","2","173","2","","","","","","","","4","P 1","P 1","1","(S)-3'-bromo-2'H,3H-spiro[furan-2,1'-naphthalene]-2',5(4H)-dione","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C104 H72 Br8 O24 -","8","8","","Uyanik, Muhammet; Yasui, Takeshi; Ishihara, Kazuaki","Chiral Hypervalent Organoiodine-Catalyzed Enantioselective Oxidative Spirolactonization of Naphthol Derivatives.","The Journal of organic chemistry","2017","82","22","11946","11953","10.1021/acs.joc.7b01941","","","0.71073","MoKα","","0.0365","0.0285","","","0.0622","0.0645","","","","","","0.912","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4032868","21.23","0.03","4.782","0.007","16.45","0.03","90","","96.883","0.019","90","","1658","5","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Yang, Xing; Pang, Shuai; Cheng, Feng; Zhang, Yue; Lin, Ya-Wei; Yuan, Quan; Zhang, Fang-Lin; Huang, Yi-Yong","Enantioselective Synthesis of 1,3-Disubstituted 1,3-Dihydroisobenzofurans via a Cascade Allylboration/Oxo-Michael Reaction of o-Formyl Chalcones Catalyzed by a Chiral Phosphoric Acid.","The Journal of organic chemistry","2017","82","19","10388","10397","10.1021/acs.joc.7b01856","","","0.71073","MoKα","","0.175","0.0628","","","0.1323","0.1821","","","","","","0.952","","","","has coordinates","202694","2020-10-21","18:00:00",""
"4032869","6.01068","0.00012","50.8074","0.0009","10.7946","0.00019","90","","106.165","0.0004","90","","3166.19","0.1","223","","223","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H47 Br O5 -","- C35 H47 Br O5 -","- C140 H188 Br4 O20 -","4","2","","Kikuchi, Takashi; Horii, Yui; Maekawa, Yukina; Masumoto, Yuki; In, Yasuko; Tomoo, Koji; Sato, Hiroyasu; Yamano, Akihito; Yamada, Takeshi; Tanaka, Reiko","Pleurocins A and B: Unusual 11(9 →7)-abeo-Ergostanes and Eringiacetal B: A 13,14-seco-13,14-Epoxyergostane from Fruiting Bodies of Pleurotus eryngii and Their Inhibitory Effects on Nitric Oxide Production.","The Journal of organic chemistry","2017","82","19","10611","10616","10.1021/acs.joc.7b01259","","","1.54187","CuKα","","0.0895","0.0879","","","0.2491","0.2524","","","","","","1.049","","","","has coordinates","202708","2020-10-21","18:00:00",""
"4032870","4.714","0.0001","9.5506","0.0003","12.6537","0.0003","80.792","0.002","86.831","0.002","76.742","0.002","547.26","0.03","297","2","297","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H12 N8 -","- C10 H12 N8 -","- C20 H24 N16 -","2","1","","Ahmed, Basil M.; Rudell, Nicholas A.; Soto, Ixtlazihuatl; Mezei, Gellert","Reaction of Amines with Aldehydes and Ketones Revisited: Access To a Class of Non-Scorpionate Tris(pyrazolyl)methane and Related Ligands.","The Journal of organic chemistry","2017","82","19","10549","10562","10.1021/acs.joc.7b02070","","","0.71073","MoKα","","0.055","0.0395","","","0.1025","0.1228","","","","","","1.074","","","","has coordinates","202672","2020-10-21","18:00:00",""
"4032871","11.37","0.004","9.159","0.003","21.98","0.007","90","","102.338","0.011","90","","2236.1","1.3","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H27 N O5 -","- C26 H27 N O5 -","- C104 H108 N4 O20 -","4","1","","Zhang, Jiayong; Cheng, Cheng; Wang, Dian; Miao, Zhiwei","Regio- and Diastereoselective Construction of Spirocyclopenteneoxindoles through Phosphine-Catalyzed [3 + 2] Annulation of Methyleneindolinone with Alkynoate Derivatives.","The Journal of organic chemistry","2017","82","19","10121","10128","10.1021/acs.joc.7b01582","","","1.54187","CuKα","","0.0415","0.0405","","","0.1147","0.1156","","","","","","1.078","","","","has coordinates","202682","2020-10-21","18:00:00",""
"4032872","5.14336","0.00016","16.7956","0.0005","18.7002","0.0006","90","","90","","90","","1615.43","0.09","110","2","110","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N3 O3 -","- C15 H23 N3 O3 -","- C60 H92 N12 O12 -","4","1","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","","1.5418","CuKα","","0.0393","0.0352","","","0.0871","0.0905","","","","","","1.039","","","","has coordinates","202697","2020-10-21","18:00:00",""
"4032873","10.5287","0.0004","9.9246","0.0004","14.8794","0.0006","90","","104.141","0.002","90","","1507.68","0.1","100","2","100","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C48 H100 N12 O12 -","4","2","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","x-ray","0.71073","MoKα","","0.0413","0.0355","","","0.0832","0.0869","","","","","","1.0526","","","","has coordinates","278046","2022-09-21","15:45:40",""
"4032874","9.787","0.005","12.007","0.005","27.226","0.005","90","","90","","90","","3199","2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H25 N3 O3 -","- C12 H25 N3 O3 -","- C96 H200 N24 O24 -","8","2","","Moussodia, Ralph-Olivier; Romero, Eugénie; Wenger, Emmanuel; Jamart-Grégoire, Brigitte; Acherar, Samir","Self-Organization Ability of Chiral N(α)-Substituted, N(β)-Boc Protected α-Hydrazinoacetamides in the Crystal and Solution States.","The Journal of organic chemistry","2017","82","19","9937","9945","10.1021/acs.joc.7b01004","","","1.5418","CuKα","","0.0402","0.0383","","","0.0965","0.0986","","","","","","1.0606","","","","has coordinates,has disorder","278046","2022-09-21","15:45:40",""
"4032875","13.1619","0.0008","13.8635","0.0004","8.2762","0.0003","90","","101.23","0.005","90","","1481.24","0.12","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Br N4 Ni -","- C36 H29 Br N4 Ni -","- C72 H58 Br2 N8 Ni2 -","2","0.5","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71075","MoKα","","0.0727","0.0608","","","0.16","0.1702","","","","","","1.087","","","","has coordinates,has disorder","202706","2020-10-21","18:00:00",""
"4032876","12.6966","0.0003","27.8406","0.0007","8.1912","0.0002","90","","98.977","0.002","90","","2859.97","0.12","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H29 Br N4 Ni -","- C36 H29 Br N4 Ni -","- C144 H116 Br4 N16 Ni4 -","4","1","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71075","MoKα","","0.0491","0.0445","","","0.1288","0.1403","","","","","","1.272","","","","has coordinates,has disorder","202706","2020-10-21","18:00:00",""
"4032877","9.723","0.0004","25.4861","0.0011","15.9516","0.0005","90","","106.565","0.004","90","","3788.8","0.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C45 H41 Cl2 N5 Ni -","- C45 H41 Cl2 N5 Ni -","- C180 H164 Cl8 N20 Ni4 -","4","1","","Kawashima, Hiroyuki; Hiroto, Satoru; Shinokubo, Hiroshi","Acid-Mediated Migration of Bromide in an Antiaromatic Porphyrinoid: Preparation of Two Regioisomeric Ni(II) Bromonorcorroles.","The Journal of organic chemistry","2017","82","19","10425","10432","10.1021/acs.joc.7b01899","","","0.71073","MoKα","","0.0651","0.0531","","","0.1257","0.1347","","","","","","1.054","","","","has coordinates","202706","2020-10-21","18:00:00",""
"4032878","8.631","0.0004","6.1744","0.0003","20.4789","0.001","90","","101.241","0.001","90","","1070.41","0.09","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H25 N O3 -","- C28 H25 N O3 -","- C56 H50 N2 O6 -","2","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54184","CuKα","","0.0278","0.0277","","","0.0738","0.0739","","","","","","1.06","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032879","12.6744","0.0007","5.1327","0.0003","16.2796","0.0009","90","","110.498","0.002","90","","992","0.1","296.15","","296.15","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H26 O2 -","- C26 H26 O2 -","- C52 H52 O4 -","2","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54184","CuKα","","0.0274","0.0271","","","0.0711","0.0714","","","","","","1.034","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032880","5.7218","0.0005","14.0188","0.0012","24.109","0.002","90","","90","","90","","1933.8","0.3","273.15","","273.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H20 O3 -","- C26 H20 O3 -","- C104 H80 O12 -","4","1","","Liu, Chao; Liu, Yan-Kai","Asymmetric Organocatalytic One-Pot, Two-Step Sequential Process to Synthesize Chiral Acetal-Containing Polycyclic Derivatives from Cyclic Hemiacetals and Enones.","The Journal of organic chemistry","2017","82","19","10450","10460","10.1021/acs.joc.7b01915","","","1.54178","CuKα","","0.0297","0.0294","","","0.0778","0.078","","","","","","1.103","","","","has coordinates","202687","2020-10-21","18:00:00",""
"4032881","21.309","0.003","23.961","0.003","13.3093","0.0019","90","","121.45","0.002","90","","5797.2","1.4","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H62 B F2 N3 O8 -","- C60 H62 B F2 N3 O8 -","- C240 H248 B4 F8 N12 O32 -","4","0.5","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.0853","0.0591","","","0.173","0.1908","","","","","","1.08","","","","has coordinates,has disorder","202702","2020-10-21","18:00:00",""
"4032882","21.3351","0.0017","25.306","0.002","13.0491","0.001","90","","116.512","0.001","90","","6304.4","0.9","293","2","293","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C60 H60 B Br2 F2 N3 O8 -","- C60 H60 B Br2 F2 N3 O8 -","- C240 H240 B4 Br8 F8 N12 O32 -","4","0.5","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.078","0.0478","","","0.1271","0.1366","","","","","","1.076","","","","has coordinates","202702","2020-10-21","18:00:00",""
"4032883","12.386","0.002","14.229","0.003","16.434","0.003","104.736","0.002","98.092","0.003","97.797","0.003","2728.3","0.9","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C60 H58 B F2 N3 O8 -","- C60 H58 B F2 N3 O8 -","- C120 H116 B2 F4 N6 O16 -","2","1","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.1179","0.0743","","","0.2325","0.2555","","","","","","0.986","","","","has coordinates,has disorder","202702","2020-10-21","18:00:00",""
"4032884","11.7012","0.0015","11.9793","0.0015","20.493","0.003","90.244","0.002","90.127","0.002","116.904","0.002","2561.6","0.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C54 H48 B F2 N3 O2 -","- C54 H48 B F2 N3 O2 -","- C108 H96 B2 F4 N6 O4 -","2","1","","Sheng, Wanle; Cui, Jiuen; Ruan, Zheng; Yan, Lifeng; Wu, Qinghua; Yu, Changjiang; Wei, Yun; Hao, Erhong; Jiao, Lijuan","[a]-Phenanthrene-Fused BF2 Azadipyrromethene (AzaBODIPY) Dyes as Bright Near-Infrared Fluorophores.","The Journal of organic chemistry","2017","82","19","10341","10349","10.1021/acs.joc.7b01803","","","0.71073","MoKα","","0.1421","0.078","","","0.2205","0.2435","","","","","","1.083","","","","has coordinates","202702","2020-10-21","18:00:00",""
"4032885","21.2312","0.0006","7.2323","0.0002","22.3298","0.0007","90","","90","","90","","3428.75","0.17","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C24 H19 N -","- C24 H19 N -","- C192 H152 N8 -","8","1","","Stivanin, Mateus L.; Duarte, Marcelo; Sartori, Camila; Capreti, Naylil M. R.; Angolini, Celio F. F.; Jurberg, Igor D.","An Aminocatalyzed Michael Addition/Iron-Mediated Decarboxylative Cyclization Sequence for the Preparation of 2,3,4,6-Tetrasubstituted Pyridines: Scope and Mechanistic Insights.","The Journal of organic chemistry","2017","82","19","10319","10330","10.1021/acs.joc.7b01789","","","1.54178","CuKα","","0.0558","0.0474","","","0.1315","0.139","","","","","","1.03","","","","has coordinates","202705","2020-10-21","18:00:00",""
"4032886","11.812","0.006","6.112","0.003","14.148","0.008","90","","105.405","0.006","90","","984.7","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 N2 O5 S -","- C19 H24 N2 O5 S -","- C38 H48 N4 O10 S2 -","2","1","","Huang, Wei; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Reaction of Silyllithium, α-Keto N-tert-Butanesulfinyl Imidates and Aldehydes for Asymmetric Synthesis of α-Substituted β-(Silyloxy)-α-hydroxy Acid Derivatives.","The Journal of organic chemistry","2017","82","19","10748","10755","10.1021/acs.joc.7b02214","","","0.71073","MoKα","","0.0486","0.0396","","","0.095","0.1017","","","","","","1.033","","","","has coordinates","202707","2020-10-21","18:00:00",""
"4032887","6.734","0.007","18.45","0.019","12.022","0.012","90","","98.661","0.015","90","","1477","3","296","2","296","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C29 H37 N O5 S Si -","- C29 H37 N O5 S Si -","- C58 H74 N2 O10 S2 Si2 -","2","1","","Huang, Wei; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Reaction of Silyllithium, α-Keto N-tert-Butanesulfinyl Imidates and Aldehydes for Asymmetric Synthesis of α-Substituted β-(Silyloxy)-α-hydroxy Acid Derivatives.","The Journal of organic chemistry","2017","82","19","10748","10755","10.1021/acs.joc.7b02214","","","0.71073","MoKα","","0.1014","0.0524","","","0.0906","0.1109","","","","","","1.025","","","","has coordinates","202707","2020-10-21","18:00:00",""
"4032888","10.969","0.006","14.515","0.006","15.54","0.007","90","","109.929","0.008","90","","2326","1.9","301","2","301","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H24 N2 O3 S -","- C29 H24 N2 O3 S -","- C116 H96 N8 O12 S4 -","4","1","","Santhini, P. V.; Krishnan R, Akhil; Babu, Sheba Ann; Simethy, Betna Shamlin; Das, Gourab; Praveen, Vakayil K.; Varughese, Sunil; John, Jubi","One-Pot MCR-Oxidation Approach toward Indole-Fused Heteroacenes.","The Journal of organic chemistry","2017","82","19","10537","10548","10.1021/acs.joc.7b02039","","","0.71073","MoKα","","0.1157","0.0604","","","0.1638","0.1943","","","","","","0.869","","","","has coordinates","202676","2020-10-21","18:00:00",""
"4032889","7.40246","0.00019","7.5881","0.0002","21.4216","0.0005","90","","90","","90","","1203.26","0.05","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H10 Cl N S2 -","- C12 H10 Cl N S2 -","- C48 H40 Cl4 N4 S8 -","4","1","","Belot, Vincent; Farran, Daniel; Jean, Marion; Albalat, Muriel; Vanthuyne, Nicolas; Roussel, Christian","Steric Scale of Common Substituents from Rotational Barriers of N-(o-Substituted aryl)thiazoline-2-thione Atropisomers.","The Journal of organic chemistry","2017","82","19","10188","10200","10.1021/acs.joc.7b01698","","x-ray","1.54184","CuKα","","0.0237","0.0234","","","0.0644","0.0647","","","","","","1.078","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4032890","20.188","0.002","9.8499","0.0008","10.9975","0.001","90","","102.392","0.003","90","","2135.9","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N2 O3 S -","- C24 H22 N2 O3 S -","- C96 H88 N8 O12 S4 -","4","1","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.0623","0.0448","","","0.1133","0.1218","","","","","","1.055","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032891","9.235","0.0004","10.6767","0.0004","44.894","0.002","90","","92.065","0.001","90","","4423.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H24 N2 O3 S -","- C24 H24 N2 O3 S -","- C192 H192 N16 O24 S8 -","8","2","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.1022","0.0625","","","0.1201","0.1397","","","","","","1.156","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032892","32.959","0.004","8.5274","0.0008","18.548","0.002","90","","109.063","0.004","90","","4927.1","0.9","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 I N2 O4 S -","- C26 H21 I N2 O4 S -","- C208 H168 I8 N16 O32 S8 -","8","1","","Mallick, Rajendra K.; Prabagar, B.; Sahoo, Akhila K.","Regioselective Synthesis of 2,4,5-Trisubstituted Oxazoles and Ketene Aminals via Hydroamidation and Iodo-Imidation of Ynamides.","The Journal of organic chemistry","2017","82","19","10583","10594","10.1021/acs.joc.7b02124","","","0.71073","MoKα","","0.0622","0.037","","","0.0855","0.0942","","","","","","1.097","","","","has coordinates","202683","2020-10-21","18:00:00",""
"4032893","7.0936","0.0003","9.3673","0.0004","10.8449","0.0004","103.189","0.0014","97.273","0.0016","90.9588","0.0016","695.19","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","ye617","","","- C16 H15 N O2 S -","- C16 H15 N O2 S -","- C32 H30 N2 O4 S2 -","2","1","","Seo, Boram; Kim, Hyunseok; Kim, Ya Gob; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","Synthesis of Bicyclic Isothiazoles through an Intramolecular Rhodium-Catalyzed Transannulation of Cyanothiadiazoles.","The Journal of organic chemistry","2017","82","19","10574","10582","10.1021/acs.joc.7b02077","","","0.71073","","","0.0788","0.0732","","","0.2082","0.2182","","","","","","1.096","","","","has coordinates","202696","2020-10-21","18:00:00",""
"4032894","12.274","0.0004","11.8466","0.0004","7.7264","0.0002","90","","105.465","0.0013","90","","1082.78","0.06","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","JBK-477","","","- C12 H9 N O2 S -","- C12 H9 N O2 S -","- C48 H36 N4 O8 S4 -","4","1","","Seo, Boram; Kim, Hyunseok; Kim, Ya Gob; Baek, Yonghyeon; Um, Kyusik; Lee, Phil Ho","Synthesis of Bicyclic Isothiazoles through an Intramolecular Rhodium-Catalyzed Transannulation of Cyanothiadiazoles.","The Journal of organic chemistry","2017","82","19","10574","10582","10.1021/acs.joc.7b02077","","","0.71073","","","0.0762","0.069","","","0.1822","0.1914","","","","","","1.04","","","","has coordinates","202696","2020-10-21","18:00:00",""
"4032895","5.5974","0.0004","19.0054","0.001","17.2544","0.001","90","","90","","90","","1835.54","0.19","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.0703","0.0514","","","0.1076","0.1192","","","","","","1.037","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032896","11.0525","0.0008","11.1109","0.0008","11.4881","0.0008","115.323","0.007","99.995","0.006","110.986","0.007","1097.8","0.2","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N O4 -","- C26 H23 N O4 -","- C52 H46 N2 O8 -","2","1","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","x-ray","0.71073","MoKα","","0.0717","0.0452","","","0.0998","0.1154","","","","","","1.042","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032897","11.6822","0.0007","11.7363","0.0011","17.1486","0.0012","87.187","0.006","89.117","0.005","81.697","0.006","2323.6","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N O5 -","- C26 H23 N O5 -","- C104 H92 N4 O20 -","4","2","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.1146","0.0581","","","0.1342","0.1803","","","","","","1.038","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032898","35.153","0.002","35.153","0.002","8.9968","0.0005","90","","90","","120","","9628.2","0.9","200","2","200","2","","","","","","","","4","R -3","-R 3","148","","","","- C19 H19 N O4 -","- C19 H19 N O4 -","- C342 H342 N18 O72 -","18","","","Shao, Pan-Lin; Li, Zi-Rui; Wang, Zhi-Peng; Zhou, Ming-Hui; Wu, Qi; Hu, Ping; He, Yun","[3 + 2] Cycloaddition of Azaoxyallyl Cations with Cyclic Ketones: Access to Spiro-4-oxazolidinones.","The Journal of organic chemistry","2017","82","19","10680","10686","10.1021/acs.joc.7b01728","","","0.71073","MoKα","","0.0758","0.0533","","","0.1405","0.1538","","","","","","1.047","","","","has coordinates","202680","2020-10-21","18:00:00",""
"4032899","5.608","0.002","8.703","0.003","20.091","0.007","90","","90","","90","","980.6","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 N2 O -","- C11 H10 N2 O -","- C44 H40 N8 O4 -","4","1","","Meng, Fei; Zhang, Honglin; Guo, Kang; Dong, Jiayue; Lu, Ai-Min; Zhu, Yingguang","Access to Cyano-Containing Isoxazolines via Copper-Catalyzed Domino Cyclization/Cyanation of Alkenyl Oximes.","The Journal of organic chemistry","2017","82","19","10742","10747","10.1021/acs.joc.7b02133","","","0.71073","MoKα","","0.0893","0.0481","","","0.099","0.1129","","","","","","1.043","","","","has coordinates","202693","2020-10-21","18:00:00",""
"4032900","9.018","0.002","12.803","0.003","13.586","0.003","92.859","0.004","106.099","0.003","90.084","0.004","1505","0.6","123","","123","","","","","","","","","5","P -1","-P 1","2","","","","- C35 H42 B N O5 -","- C35 H42 B N O5 -","- C70 H84 B2 N2 O10 -","2","1","","Iwamoto, Hiroaki; Ozawa, Yu; Kubota, Koji; Ito, Hajime","Copper(I)-Catalyzed Regio- and Stereoselective Intramolecular Alkylboration of Propargyl Ethers and Amines.","The Journal of organic chemistry","2017","82","19","10563","10573","10.1021/acs.joc.7b02071","","","0.71075","MoKα","","0.1278","0.0529","","","0.1085","0.1629","","","","","","1.078","","","","has coordinates","202709","2020-10-21","18:00:00",""
"4032901","8.8147","0.0015","8.1358","0.0014","20.421","0.004","90","","91.788","0.007","90","","1463.8","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 S -","- C16 H15 N O4 S -","- C64 H60 N4 O16 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0915","0.074","","","0.2208","0.2397","","","","","","1.085","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032902","7.1934","0.0007","7.9479","0.0007","9.7888","0.0009","80.149","0.002","78.645","0.002","89.534","0.002","540.42","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H11 N O4 S -","- C10 H11 N O4 S -","- C20 H22 N2 O8 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0287","0.0273","","","0.0665","0.0674","","","","","","1.043","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032903","10.958","0.003","7.579","0.002","18.911","0.005","90","","106.133","0.005","90","","1508.7","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O5 S -","- C16 H15 N O5 S -","- C64 H60 N4 O20 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.1205","0.0964","","","0.2638","0.2805","","","","","","1.1","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032904","5.676","0.002","9.256","0.004","27.339","0.012","90","","90.107","0.01","90","","1436.3","1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H13 Cl O3 S -","- C15 H13 Cl O3 S -","- C60 H52 Cl4 O12 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.133","0.0676","","","0.1411","0.164","","","","","","1.08","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032905","11.1208","0.0009","11.5061","0.001","11.8471","0.001","90","","102.556","0.002","90","","1479.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Wang, Heui-Sin","Regiocontrolled Synthesis of α-Sulfonylmethyl o-Nitrostyrenes via ZnI2-Mediated Sulfonylation and AgNO2/Pd(PPh3)4-Promoted o-Nitration.","The Journal of organic chemistry","2017","82","19","10601","10610","10.1021/acs.joc.7b02311","","","0.71073","MoKα","","0.0535","0.0426","","","0.1079","0.1143","","","","","","1.052","","","","has coordinates","202675","2020-10-21","18:00:00",""
"4032906","6.7402","0.0002","11.5964","0.0002","24.9844","0.0006","90","","90","","90","","1952.83","0.08","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 F3 N2 O3 -","- C19 H25 F3 N2 O3 -","- C76 H100 F12 N8 O12 -","4","1","","Li, Yifei; Jackson, Kelvin E.; Charlton, Andrew; Le Neve-Foster, Ben; Khurshid, Asma; Rudy, Heinrich-K A; Thompson, Amber L.; Paton, Robert S.; Hodgson, David M.","Asymmetric Induction in C-Alkylation of Tropane-Derived Enamines: Congruence Between Computation and Experiment.","The Journal of organic chemistry","2017","82","19","10479","10488","10.1021/acs.joc.7b01954","","","1.5418","CuKα","","0.0488","0.0465","","0.1275","0.1244","0.1275","","","","","","0.9953","","","","has coordinates,has disorder","202691","2020-10-21","18:00:00",""
"4032907","22.5153","0.0009","8.3136","0.0003","32.1163","0.0013","90","","101.002","0.0018","90","","5901.2","0.4","93","2","93","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C64 H38 F20 N8 O4 -","- C64 H38 F20 N8 O4 -","- C256 H152 F80 N32 O16 -","4","1","","Yoneda, Tomoki; Hoshino, Tyuji; Neya, Saburo","[24]Pentaphyrin(2.1.1.1.1): A Strongly Antiaromatic Pentaphyrin.","The Journal of organic chemistry","2017","82","19","10737","10741","10.1021/acs.joc.7b01998","","","1.54187","CuKα","","0.1314","0.0736","","","0.1722","0.2176","","","","","","1.005","","","","has coordinates","202674","2020-10-21","18:00:00",""
"4032908","15.9571","0.0009","18.4976","0.0011","21.6413","0.0011","80.425","0.005","84.18","0.004","83.638","0.005","6237.6","0.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C134 H94 F40 N10 O9 -","- C134 H94 F40 N10 O9 -","- C268 H188 F80 N20 O18 -","2","1","","Yoneda, Tomoki; Hoshino, Tyuji; Neya, Saburo","[24]Pentaphyrin(2.1.1.1.1): A Strongly Antiaromatic Pentaphyrin.","The Journal of organic chemistry","2017","82","19","10737","10741","10.1021/acs.joc.7b01998","","","1.54184","CuKα","","0.2358","0.1109","","","0.2628","0.3419","","","","","","1.066","","","","has coordinates,has disorder","202674","2020-10-21","18:00:00",""
"4032909","13.431","0.002","8.9297","0.0015","21.363","0.004","90","","106.011","0.002","90","","2462.8","0.7","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N3 O3 -","- C31 H23 N3 O3 -","- C124 H92 N12 O12 -","4","1","","Jiang, Shan; Guo, Hong-Mei; Yao, Sheng; Shi, De-Qing; Xiao, Wen-Jing","Synthesis of Spiro[pyrazolin-3,3'-oxindoles] and 3-Arylcarbonylmethyl Substituted Ylideneoxindoles by 1,3-Dipolar Cycloadditions of 3-Ylideneoxindoles and In-Situ-Generated α-Diazoketones.","The Journal of organic chemistry","2017","82","19","10433","10443","10.1021/acs.joc.7b01907","","","0.71073","MoKα","","0.0868","0.0549","","","0.1545","0.1791","","","","","","0.988","","","","has coordinates","202678","2020-10-21","18:00:00",""
"4032910","8.481","0.002","8.527","0.002","13.607","0.003","102.268","0.003","99.165","0.004","107.023","0.004","893.2","0.4","324","2","324","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H19 N O4 -","- C21 H19 N O4 -","- C42 H38 N2 O8 -","2","1","","Jiang, Shan; Guo, Hong-Mei; Yao, Sheng; Shi, De-Qing; Xiao, Wen-Jing","Synthesis of Spiro[pyrazolin-3,3'-oxindoles] and 3-Arylcarbonylmethyl Substituted Ylideneoxindoles by 1,3-Dipolar Cycloadditions of 3-Ylideneoxindoles and In-Situ-Generated α-Diazoketones.","The Journal of organic chemistry","2017","82","19","10433","10443","10.1021/acs.joc.7b01907","","","0.71073","MoKα","","0.1013","0.0557","","","0.1651","0.2035","","","","","","0.92","","","","has coordinates","202678","2020-10-21","18:00:00",""
"4032911","11.3053","0.0002","13.6069","0.0003","16.3832","0.0004","105.526","0.002","92.8266","0.0019","109.973","0.002","2254.48","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 Fe O6 -","- C26 H22 Fe O6 -","- C104 H88 Fe4 O24 -","4","2","","Brown, Thomas J.; Cumbes, Madeleine; Diorazio, Louis J.; Clarkson, Guy J.; Wills, Martin","Use of (Cyclopentadienone)iron Tricarbonyl Complexes for C-N Bond Formation Reactions between Amines and Alcohols.","The Journal of organic chemistry","2017","82","19","10489","10503","10.1021/acs.joc.7b01990","","x-ray","1.54184","CuKα","","0.0381","0.0359","","","0.0973","0.0994","","","","","","1.032","","","","has coordinates","202681","2020-10-21","18:00:00",""
"4032912","36.553","0.005","10.5914","0.0015","15.847","0.002","90","","90","","90","","6135.1","1.4","93","2","93","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C16 H15 N3 O4 -","- C16 H15 N3 O4 -","- C256 H240 N48 O64 -","16","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","0.71073","MoKα","","0.0404","0.0395","","","0.1059","0.1064","","","","","","1.068","","","","has coordinates","202727","2020-10-21","18:00:00",""
"4032913","28.443","0.009","5.5707","0.0014","15.837","0.008","90","","121.19","0.02","90","","2146.6","1.5","88","2","88","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 N3 O -","- C14 H9 N3 O -","- C112 H72 N24 O8 -","8","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","0.71073","MoKα","","0.0597","0.0407","","","0.101","0.1119","","","","","","1.036","","","","has coordinates","202727","2020-10-21","18:00:00",""
"4032914","19.7261","0.0006","14.1348","0.0004","20.9034","0.0007","90","","112.341","0.0012","90","","5390.9","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C58 H40 Cl4 N12 O6 -","- C58 H40 Cl4 N12 O6 -","- C232 H160 Cl16 N48 O24 -","4","1","","Zhu, Jie S.; Son, Jung-Ho; Teuthorn, Andrew P.; Haddadin, Makhluf J.; Kurth, Mark J.; Tantillo, Dean J.","Diverting Reactive Intermediates Toward Unusual Chemistry: Unexpected Anthranil Products from Davis-Beirut Reaction.","The Journal of organic chemistry","2017","82","20","10875","10882","10.1021/acs.joc.7b01521","","","1.54178","CuKα","","0.0712","0.0667","","","0.1876","0.1934","","","","","","1.039","","","","has coordinates,has disorder","202727","2020-10-21","18:00:00",""
"4032915","11.227","0.0005","11.7648","0.0005","19.8563","0.0009","103.634","0.004","90.221","0.004","110.067","0.004","2383.7","0.2","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","","","","- C50 H60 Cl3 N3 Pd -","- C50 H60 Cl3 N3 Pd -","- C100 H120 Cl6 N6 Pd2 -","2","1","","Lu, Dong-Dong; He, Xu-Xian; Liu, Feng-Shou","Bulky Yet Flexible Pd-PEPPSI-IPent(An) for the Synthesis of Sterically Hindered Biaryls in Air.","The Journal of organic chemistry","2017","82","20","10898","10911","10.1021/acs.joc.7b01711","","x-ray","0.71073","MoKα","","0.0495","0.0383","","","0.0779","0.0835","","","","","","1.026","","","","has coordinates","202730","2020-10-21","18:00:00",""
"4032916","10.935","0.003","15.723","0.004","12.065","0.003","90","","109.012","0.003","90","","1961.2","0.9","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 S -","- C19 H29 N O3 S -","- C76 H116 N4 O12 S4 -","4","2","","Li, Chun-Tian; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Aldol Reaction of N-tert-Butanesulfinyl Imidates under Basic Conditions for Diastereoselective Synthesis of anti-Aldols.","The Journal of organic chemistry","2017","82","20","11253","11261","10.1021/acs.joc.7b01982","","","0.71073","MoKα","","0.1237","0.0555","","","0.1045","0.1382","","","","","","1.038","","","","has coordinates","202732","2020-10-21","18:00:00",""
"4032917","8.696","0.014","9.78","0.015","20.51","0.03","90","","90","","90","","1744","5","296","2","296.15","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C64 H100 N4 O12 S4 -","4","1","","Li, Chun-Tian; Liu, Hui; Xu, Yan-Jun; Lu, Chong-Dao","Aldol Reaction of N-tert-Butanesulfinyl Imidates under Basic Conditions for Diastereoselective Synthesis of anti-Aldols.","The Journal of organic chemistry","2017","82","20","11253","11261","10.1021/acs.joc.7b01982","","","0.71073","MoKα","","0.1142","0.0507","","","0.0919","0.1109","","","","","","0.923","","","","has coordinates","202732","2020-10-21","18:00:00",""
"4032918","10.136","0.01","6.549","0.007","17.967","0.018","90","","92.66","0.06","90","","1191","2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","amcterbutilo","","","- C27 H30 N2 O4 -","- C27 H30 N2 O4 -","- C54 H60 N4 O8 -","2","1","","Molina, Alba; Pascual-Escudero, Ana; Adrio, Javier; Carretero, Juan C.","Catalytic Asymmetric 1,3-Dipolar Cycloaddition/Hydroamination Sequence: Expeditious Access to Enantioenriched Pyrroloisoquinoline Derivatives.","The Journal of organic chemistry","2017","82","20","11238","11246","10.1021/acs.joc.7b01927","","","0.71073","MoKα","","0.1633","0.0697","","","0.1536","0.1957","","","","","","1.006","","","","has coordinates","202722","2020-10-21","18:00:00",""
"4032919","23.815","0.014","5.267","0.003","16.247","0.009","90","","100.81","0.008","90","","2002","2","173.15","","173.15","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 O S -","- C14 H8 O S -","- C112 H64 O8 S8 -","8","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0455","0.044","","","0.105","0.1065","","","","","","1.114","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032920","11.939","0.005","5.977","0.003","19.793","0.009","90","","101.211","0.006","90","","1385.5","1.1","173.15","","173.15","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O S -","- C18 H16 O S -","- C72 H64 O4 S4 -","4","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0506","0.0459","","","0.0949","0.097","","","","","","1.136","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032921","11.504","0.008","3.842","0.002","13.114","0.01","90","","112.364","0.014","90","","536","0.6","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H7 Cl O S -","- C14 H7 Cl O S -","- C28 H14 Cl2 O2 S2 -","2","1","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0607","0.0518","","","0.0866","0.0891","","","","","","1.156","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032922","6.657","0.003","8.177","0.004","12.851","0.005","94.123","0.007","92.155","0.004","108.359","0.008","660.9","0.5","173.15","","173.15","","","","","","","","","4","P -1","-P 1","2","","","","- C30 H38 O2 S2 -","- C30 H38 O2 S2 -","- C30 H38 O2 S2 -","1","0.5","","Chen, Daoliang; Yuan, Dafei; Zhang, Cheng; Wu, Hao; Zhang, Jianyun; Li, Baolin; Zhu, Xiaozhang","Ullmann-Type Intramolecular C-O Reaction Toward Thieno[3,2-b]furan Derivatives with up to Six Fused Rings.","The Journal of organic chemistry","2017","82","20","10920","10927","10.1021/acs.joc.7b01745","","","0.71073","MoKα","","0.0496","0.0451","","","0.1","0.1034","","","","","","1.104","","","","has coordinates","202735","2020-10-21","18:00:00",""
"4032923","7.7884","0.0007","11.6933","0.0011","12.7018","0.0011","76.661","0.002","80.261","0.002","87.702","0.002","1109.35","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H26 O3 S -","- C28 H26 O3 S -","- C56 H52 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0403","0.0344","","","0.0858","0.0895","","","","","","1.023","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032924","7.7512","0.0006","11.678","0.0009","13.0912","0.001","74.837","0.002","79.922","0.002","86.822","0.002","1126.04","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 F O3 S -","- C28 H25 F O3 S -","- C56 H50 F2 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0363","0.0318","","","0.081","0.0841","","","","","","1.048","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032925","11.4491","0.0005","17.7989","0.0006","26.917","0.0011","90","","90","","90","","5485.2","0.4","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C34 H30 O3 S -","- C34 H30 O3 S -","- C272 H240 O24 S8 -","8","2","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.1093","0.0637","","","0.151","0.1854","","","","","","1.032","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032926","7.629","0.0004","11.9937","0.0007","13.0614","0.0006","74.603","0.002","83.167","0.002","87.823","0.002","1144.01","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H28 O3 S -","- C29 H28 O3 S -","- C58 H56 O6 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0348","0.0325","","","0.09","0.0922","","","","","","1.056","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032927","8.365","0.0003","14.5526","0.0005","15.0103","0.0004","90","","90","","90","","1827.24","0.1","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H22 O3 S -","- C22 H22 O3 S -","- C88 H88 O12 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0327","0.0309","","","0.073","0.0742","","","","","","1.037","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032928","8.1348","0.0005","13.0188","0.0007","15.4944","0.0009","110.348","0.003","95.56","0.003","107.969","0.003","1424.64","0.15","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 O4 S -","- C30 H30 O4 S -","- C60 H60 O8 S2 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.062","0.0522","","","0.1615","0.1752","","","","","","1.077","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032929","9.3547","0.0004","15.8152","0.0007","16.7422","0.0008","90","","93.334","0.002","90","","2472.76","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H30 O4 S -","- C30 H30 O4 S -","- C120 H120 O16 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0606","0.0455","","","0.1067","0.1156","","","","","","1.039","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032930","8.1394","0.0006","9.4166","0.0007","19.4343","0.0015","95.957","0.002","97.141","0.002","109.052","0.002","1380.39","0.18","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H34 O5 S2 -","- C31 H34 O5 S2 -","- C62 H68 O10 S4 -","2","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0417","0.0345","","","0.0848","0.0893","","","","","","1.04","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032931","12.4191","0.0008","13.6805","0.001","15.3386","0.0011","90","","103.4","0.002","90","","2535.1","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H27 O3 S -","- C29 H27 O3 S -","- C116 H108 O12 S4 -","4","1","","Chang, Meng-Yang; Hsiao, Yu-Ting","H2SO4-Mediated Stereocontrolled Annulation of Oxygenated Naphthalenes and 4-Alkenols: One-Pot Synthesis of Tetanthrenes.","The Journal of organic chemistry","2017","82","21","11594","11602","10.1021/acs.joc.7b02291","","","0.71073","MoKα","","0.0479","0.038","","","0.097","0.1032","","","","","","1.023","","","","has coordinates","202760","2020-10-21","18:00:00",""
"4032932","14.0786","0.0004","13.1662","0.0004","12.1197","0.0004","90","","102.656","0.003","90","","2191.94","0.12","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 O8.5 -","- C24 H23 O8.5 -","- C96 H92 O34 -","4","1","","Lin, Yu-Feng; Fong, Chi; Peng, Wan-Ling; Tang, Kuei-Chien; Liang, Yi-En; Li, Wen-Tai","Synthesis of 3-(2-Olefinbenzyl)-4H-chromen-4-one through Cyclobenzylation and Catalytic C-H Bond Functionalization Using Palladium(II).","The Journal of organic chemistry","2017","82","20","10855","10865","10.1021/acs.joc.7b01626","","","1.54178","CuKα","","0.0746","0.0584","","","0.1652","0.1831","","","","","","1.031","","","","has coordinates,has disorder","202719","2020-10-21","18:00:00",""
"4032933","7.787","0.0009","9.1541","0.001","21.398","0.002","90","","90","","90","","1525.3","0.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C76 H72 O16 -","4","1","","Sandridge, Matthew J.; McLarney, Brett D.; Williams, Corey W.; France, Stefan","α-Alkylidene-γ-butyrolactone Formation via Bi(OTf)3-Catalyzed, Dehydrative, Ring-Opening Cyclizations of Cyclopropyl Carbinols: Understanding Substituent Effects and Predicting E/Z Selectivity.","The Journal of organic chemistry","2017","82","20","10883","10897","10.1021/acs.joc.7b01706","","","0.71073","MoKα","","0.0386","0.0366","","","0.0912","0.0935","","","","","","1.059","","","","has coordinates","202718","2020-10-21","18:00:00",""
"4032934","13.865","0.004","10.825","0.002","9.0227","0.0014","90","","90.53","0.02","90","","1354.1","0.5","287.51","0.1","287.51","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C68 H60 N4 O8 -","4","1","","Guo, Xin; Han, Jianwei; Liu, Yafeng; Qin, Mingda; Zhang, Xueguo; Chen, Baohua","Synthesis of 2,3-Disubstituted NH Indoles via Rhodium(III)-Catalyzed C-H Activation of Arylnitrones and Coupling with Diazo Compounds.","The Journal of organic chemistry","2017","82","21","11505","11511","10.1021/acs.joc.7b02105","","x-ray","0.71","MoKα","","0.0502","0.0409","","","0.1013","0.1071","","","","","","1.073","","","","has coordinates","202749","2020-10-21","18:00:00",""
"4032935","10.7119","0.0007","12.3681","0.0007","15.6167","0.001","88.64","0.004","76.819","0.004","85.895","0.004","2009.3","0.2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H23 N O3 S -","- C22 H22.5 N O3 S -","- C88 H90 N4 O12 S4 -","4","2","","Zhang, Jian; Wu, Mingchang; Lu, Wei; Wang, Shuaifeng; Zhang, Yan; Cheng, Cungui; Zhu, Gangguo","Preparation of 2-Amino-5-homoallylfurans via Palladium-Catalyzed Tandem Cycloisomerization/Heck-Type Coupling of Homoallenyl Amides with Allyltrialkylsilanes.","The Journal of organic chemistry","2017","82","20","11134","11140","10.1021/acs.joc.7b02131","","","0.71073","MoKα","","0.1621","0.1264","","","0.2489","0.2606","","","","","","1.63","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4032936","9.947","0.007","12.46","0.009","17.683","0.012","90","","94.163","0.012","90","","2186","3","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 S2 -","- C26 H24 S2 -","- C104 H96 S8 -","4","1","","Luo, Qianfu; Cao, Fei; Xiong, Chaochao; Dou, Qingyu; Qu, Da-Hui","Hybrid cis/trans Tetra-arylethenes with Switchable Aggregation-Induced Emission (AIE) and Reversible Photochromism in the Solution, PMMA Film, Solid Powder, and Single Crystal.","The Journal of organic chemistry","2017","82","20","10960","10967","10.1021/acs.joc.7b01877","","","0.71073","MoKα","","0.0802","0.0474","","","0.1365","0.1577","","","","","","1.053","","","","has coordinates","202714","2020-10-21","18:00:00",""
"4032937","5.7562","0.0007","11.7478","0.0014","27.37","0.003","90","","90","","90","","1850.8","0.4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl F N2 O4 -","- C19 H18 Cl F N2 O4 -","- C76 H72 Cl4 F4 N8 O16 -","4","1","","Liu, Yang-Zi; Shang, Shao-Jing; Yang, Wu-Lin; Luo, Xiaoyan; Deng, Wei-Ping","Stereoselective Synthesis of Pyrrolidines Containing a 3-Fluoro Quaternary Stereocenter via Copper(I)-Catalyzed Asymmetric 1,3-Dipolar Cycloaddition.","The Journal of organic chemistry","2017","82","20","11141","11149","10.1021/acs.joc.7b02142","","","0.71073","MoKα","","0.0623","0.0566","","","0.1335","0.1367","","","","","","1.177","","","","has coordinates","202733","2020-10-21","18:00:00",""
"4032938","10.373","0.005","8.148","0.004","11.635","0.006","90","","104.787","0.011","90","","950.8","0.8","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C44 H52 N4 O6 -","2","1","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Total Synthesis of (±)/(+)-Subincanadine E and Determination of Absolute Configuration.","The Journal of organic chemistry","2017","82","20","11126","11133","10.1021/acs.joc.7b02122","","","0.71073","MoKα","","0.1331","0.068","","","0.1302","0.159","","","","","","0.974","","","","has coordinates","202734","2020-10-21","18:00:00",""
"4032939","11.883","0.007","12.219","0.008","14.081","0.008","80.601","0.014","72.761","0.013","62.091","0.013","1724.8","1.8","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17.5 H20.5 Cl1.5 N2 O3 -","- C17.5 H20.5 Cl1.5 N2 O3 -","- C70 H82 Cl6 N8 O12 -","4","2","","Kalshetti, Manojkumar G.; Argade, Narshinha P.","Total Synthesis of (±)/(+)-Subincanadine E and Determination of Absolute Configuration.","The Journal of organic chemistry","2017","82","20","11126","11133","10.1021/acs.joc.7b02122","","","0.71073","MoKα","","0.1577","0.0863","","","0.2226","0.2507","","","","","","1.311","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4032940","13.2066","0.0004","13.9646","0.0004","10.3491","0.0003","90","","114.308","0.0011","90","","1739.42","0.09","296","","296","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H26 N2 O3 S -","- C18 H26 N2 O3 S -","- C72 H104 N8 O12 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0629","","","","0.2437","","","","","","1.01","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032941","9.8135","0.0005","14.7645","0.0008","16.0748","0.0009","90","","99.5803","0.0016","90","","2296.6","0.2","103","","103","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N2 O2 S -","- C25 H34 N2 O2 S -","- C100 H136 N8 O8 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0479","","","","0.1419","","","","","","1.007","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032942","10.5322","0.0005","17.1636","0.0008","12.8157","0.0007","90","","90.7235","0.0017","90","","2316.5","0.2","296","","296","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H34 N2 O2 S -","- C25 H34 N2 O2 S -","- C100 H136 N8 O8 S4 -","4","1","","Sugiura, Masaharu; Kashiwagi, Takeru; Ito, Mai; Kotani, Shunsuke; Nakajima, Makoto","Stereoselective Synthesis of Nitrogen-Containing Compounds from Enamines.","The Journal of organic chemistry","2017","82","20","10968","10979","10.1021/acs.joc.7b01923","","","0.71075","MoKα","","","0.0413","","","","0.1388","","","","","","1.001","","","","has coordinates","202712","2020-10-21","18:00:00",""
"4032943","13.986","0.005","4.9867","0.0017","18.623","0.008","90","","111.799","0.005","90","","1206","0.8","100","2","100","2","","","","","","","","7","P 1 2/c 1","-P 2yc","13","","","","- C11 H8 B Cl F2 N2 O2 -","- C11 H8 B Cl F2 N2 O2 -","- C44 H32 B4 Cl4 F8 N8 O8 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.7824","Synchrotron","","0.1208","0.0872","","","0.2246","0.2622","","","","","","1.058","","","","has coordinates,has disorder","202716","2020-10-21","18:00:00",""
"4032944","8.544","0.003","15.711","0.005","10.064","0.003","90","","97.355","0.005","90","","1339.8","0.8","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 B F2 N2 O3 S -","- C13 H11 B F2 N2 O3 S -","- C52 H44 B4 F8 N8 O12 S4 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0375","0.036","","","0.1013","0.1021","","","","","","1.076","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032945","8.6359","0.0017","10.684","0.002","23.378","0.005","90","","90.516","0.009","90","","2156.9","0.7","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C25 H19 B F2 N2 O3 S -","- C25 H19 B F2 N2 O3 S -","- C100 H76 B4 F8 N8 O12 S4 -","4","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0357","0.034","","","0.0913","0.0923","","","","","","1.025","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032946","30.4109","0.0014","4.9043","0.0003","18.0383","0.0009","90","","122.921","0.003","90","","2258.3","0.2","90","2","90","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C11 H9 B F2 N2 O2 S -","- C11 H9 B F2 N2 O2 S -","- C88 H72 B8 F16 N16 O16 S8 -","8","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.7813","Synchrotron","","0.0865","0.0433","","","0.0853","0.129","","","","","","1.178","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032947","9.624","0.004","11.522","0.005","12.61","0.006","109.022","0.005","112.19","0.005","98.651","0.007","1162.7","0.9","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H16 B2 F4 N4 O4 S2 -","- C22 H16 B2 F4 N4 O4 S2 -","- C44 H32 B4 F8 N8 O8 S4 -","2","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.78291","Synchrotron","","0.2033","0.0555","","","0.1084","0.1761","","","","","","0.712","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032948","8.896","0.003","31.258","0.01","16.54","0.006","90","","95.79","0.005","90","","4576","3","100","2","100","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C47 H34 B2 Cl2 F4 N4 O5 S2 -","- C47 H38 B2 Cl2 F4 N4 O6 S2 -","- C188 H152 B8 Cl8 F16 N16 O24 S8 -","4","0.5","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","0.78291","Synchrotron","","0.2755","0.0983","","","0.2227","0.3156","","","","","","0.891","","","","has coordinates,has disorder","202716","2020-10-21","18:00:00",""
"4032949","12.0568","0.0008","12.3448","0.001","15.0292","0.0008","76.37","0.011","76.907","0.011","80.343","0.016","2101.9","0.3","93","2","93","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H34 B2 Br0 Cl2 F4 N4 O4 S2 -","- C47 H34 B2 Cl2 F4 N4 O4 S2 -","- C94 H68 B4 Cl4 F8 N8 O8 S4 -","2","1","","Sasano, Yoshifumi; Sato, Ryuma; Shigeta, Yasuteru; Yasuda, Nobuhiro; Maeda, Hiromitsu","H-Aggregated π-Systems Based on Disulfide-Linked Dimers of Dipyrrolyldiketone Boron Complexes.","The Journal of organic chemistry","2017","82","20","11166","11172","10.1021/acs.joc.7b02185","","","1.54187","CuKα","","0.0362","0.0315","","","0.0881","0.09","","","","","","1.073","","","","has coordinates","202716","2020-10-21","18:00:00",""
"4032950","10.3699","0.0003","17.3809","0.0005","12.7667","0.0003","90","","96.43","0.002","90","","2286.57","0.11","294","2","294.15","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H23 Cl N2 O6 -","- C23 H23 Cl N2 O6 -","- C92 H92 Cl4 N8 O24 -","4","1","","Liu, Yiyi; Li, Hengyu; Zhou, Xun; He, Zhengjie","P(NMe2)3-Mediated Reductive (1 + 4) Annulation Reaction of Isatins with Nitroalkenes: An Access to Spirooxindolyl Isoxazoline N-Oxides and Their Corresponding Isoxazolines.","The Journal of organic chemistry","2017","82","20","10997","11007","10.1021/acs.joc.7b01962","","x-ray","0.71073","MoKα","","0.0657","0.0533","","","0.1544","0.1643","","","","","","1.091","","","","has coordinates","202721","2020-10-21","18:00:00",""
"4032951","9.196","0.003","10.447","0.003","11.724","0.004","91.395","0.001","110.283","0.005","112.925","0.006","956.3","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H21 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Liu, Yiyi; Li, Hengyu; Zhou, Xun; He, Zhengjie","P(NMe2)3-Mediated Reductive (1 + 4) Annulation Reaction of Isatins with Nitroalkenes: An Access to Spirooxindolyl Isoxazoline N-Oxides and Their Corresponding Isoxazolines.","The Journal of organic chemistry","2017","82","20","10997","11007","10.1021/acs.joc.7b01962","","","0.71073","MoKα","","0.0355","0.0335","","","0.0919","0.0933","","","","","","0.933","","","","has coordinates","202721","2020-10-21","18:00:00",""
"4032952","39.587","0.005","39.587","0.005","9.49","0.003","90","","90","","120","","12880","5","296","2","296","2","","","","","","","","5","R -3 :H","-R 3","148","","","","- C24 H22 S2 Se4 Si2 -","- C24 H22 S2 Se4 Si2 -","- C432 H396 S36 Se72 Si36 -","18","1","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.0697","0.0366","","","0.077","0.0843","","","","","","1","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032953","6.4642","0.0019","20.855","0.006","27.927","0.008","90","","90.498","0.005","90","","3764.7","1.9","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Se3 Si2 -","- C14 H20 Se3 Si2 -","- C112 H160 Se24 Si16 -","8","2","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.1338","0.0577","","","0.1149","0.1307","","","","","","0.923","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032954","16.4144","0.0011","10.1288","0.0007","18.9016","0.0013","90","","114.719","0.001","90","","2854.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 Se6 Si2 -","- C24 H22 Se6 Si2 -","- C96 H88 Se24 Si8 -","4","1","","Xu, Wan; Wu, Longlong; Fang, Maohong; Ma, Zhiying; Shan, Zhen; Li, Chunli; Wang, Hua","Diseleno[2,3-b:3',2'-d]selenophene and Diseleno[2,3-b:3',2'-d] thiophene: Building Blocks for the Construction of [7]Helicenes.","The Journal of organic chemistry","2017","82","20","11192","11197","10.1021/acs.joc.7b01362","","","0.71073","MoKα","","0.0611","0.0392","","","0.098","0.1035","","","","","","1.176","","","","has coordinates","202725","2020-10-21","18:00:00",""
"4032955","8.5868","0.0003","9.9563","0.0005","14.1824","0.0006","87.05","0.004","88.435","0.003","89.106","0.004","1210.31","0.09","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C25 H23 Cl2 N O3 S -","- C25 H23 Cl2 N O3 S -","- C50 H46 Cl4 N2 O6 S2 -","2","1","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","1.54184","CuKα","","0.08","0.0711","","","0.2006","0.2114","","","","","","1.059","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032956","8.3061","0.0005","15.8","0.001","16.4284","0.0011","96.424","0.006","101.261","0.006","103.543","0.006","2027.4","0.2","170","","170","","","","","","","","","5","P -1","-P 1","2","","","","- C25 H21 N O3 S -","- C25 H21 N O3 S -","- C100 H84 N4 O12 S4 -","4","2","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","0.71073","MoKα","","0.1123","0.0855","","","0.2199","0.2492","","","","","","1.057","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032957","8.5361","0.0008","9.5425","0.0009","12.0411","0.0009","81.946","0.007","83.715","0.007","69.347","0.009","906.82","0.15","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 S -","- C20 H18 N2 O5 S -","- C40 H36 N4 O10 S2 -","2","1","","Ren, Anni; Lang, Bo; Lin, Jialun; Lu, Ping; Wang, Yanguang","4-Diazoisochroman-3-imines: A Class of Metal Carbene Precursors for the Synthesis of Isochromene Derivatives.","The Journal of organic chemistry","2017","82","20","10953","10959","10.1021/acs.joc.7b01860","","","0.71073","MoKα","","0.074","0.0513","","","0.1182","0.1401","","","","","","1.052","","","","has coordinates","202723","2020-10-21","18:00:00",""
"4032958","12.0438","0.0011","14.5042","0.0014","22.049","0.003","72.623","0.005","76.291","0.005","77.888","0.005","3530.8","0.7","150","2","150","2","","","","","","","","3","P -1","-P 1","2","Benzoxymethoxy Pillerene","","","- C81 H82 O10 -","- C81 H82 O10 -","- C162 H164 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.2028","0.1038","","","0.2834","0.3483","","","","","","1.001","","","","has coordinates,has disorder","202715","2020-10-21","18:00:00",""
"4032959","12.791","0.004","20.978","0.007","14.779","0.004","90","","98.582","0.007","90","","3921","2","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C44 H48 O12 -","- C44 H48 O12 -","- C176 H192 O48 -","4","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0801","","","","0.232","","","","","","0.967","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032960","43.045","0.01","21.347","0.005","23.043","0.005","90","","104.773","0.007","90","","20474","8","150","2","150","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C110 H140 O10 -","- C110 H140 O10 -","- C880 H1120 O80 -","8","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.2489","0.148","","","0.3802","0.4289","","","","","","1.094","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032961","16.62","0.003","16.686","0.003","16.858","0.003","95.191","0.007","117.822","0.008","114.325","0.008","3528.1","1.2","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H110 O10 -","- C75 H110 O10 -","- C150 H220 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.4213","0.1323","","","0.2936","0.4465","","","","","","0.888","","","","has coordinates,has disorder","202715","2020-10-21","18:00:00",""
"4032962","12.31","0.03","16.48","0.04","18.98","0.04","83.427","0.016","80.887","0.014","69.254","0.017","3548","14","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C81 H84 O10 -","- C81 H84 O10 -","- C162 H168 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0892","","","","0.3047","","","","","","1.018","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032963","14.289","0.003","23.102","0.006","20.977","0.006","90","","108.428","0.008","90","","6570","3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C42 H46 O11 -","- C42 H46 O11 -","- C252 H276 O66 -","6","3","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.158","0.0925","","","0.2471","0.2924","","","","","","0.855","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032964","16.77","0.04","21.69","0.05","18.89","0.04","90","","93.48","0.04","90","","6858","3","150","","150","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C164 H170 O24 -","- C164 H170 O24 -","- C328 H340 O48 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.0751","","","","0.2118","","","","","","1.013","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032965","12.2178","0.001","15.0675","0.0014","20.9593","0.0017","78.186","0.006","85.869","0.006","67.284","0.005","3483.6","0.5","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C82 H86 Cl2 O10 -","- C82 H86 Cl2 O10 -","- C164 H172 Cl4 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","","0.1051","","","","0.3493","","","","","","1.293","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032966","14.89","0.008","18.123","0.008","21.671","0.01","81.371","0.006","82.134","0.009","87.707","0.013","5726","5","150","2","150","2","","","","","","","","4","P -1","-P 1","2","OctoxyBenzoxyPillerene_3","","","- C119 H158 Cl9 O10 -","- C119 H158 Cl9 O10 -","- C238 H316 Cl18 O20 -","2","1","","Al-Azemi, Talal F; Vinodh, Mickey; Alipour, Fatemeh H.; Mohamod, Abdirahman A.","Constitutional Isomers of Pentahydroxy-Functionalized Pillar[5]arenes: Synthesis, Characterization, and Crystal Structures.","The Journal of organic chemistry","2017","82","20","10945","10952","10.1021/acs.joc.7b01837","","","0.71075","MoKα","","0.1761","0.111","","","0.3038","0.3479","","","","","","1.042","","","","has coordinates","202715","2020-10-21","18:00:00",""
"4032967","15.204","0.005","11.261","0.004","11.977","0.004","90","","99.928","0.008","90","","2019.9","1.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H21 N -","- C29 H21 N -","- C116 H84 N4 -","4","1","","Zhao, Yulei; Yuan, Yang; Wang, Xiaoyu; Li, Yanzhong","Synthesis of Polycyclic Benzo[b]indolo[3,2,1-de]acridines via Sequential Allenylation, Diels-Alder Cyclization, and Hydrogen Migration Reaction.","The Journal of organic chemistry","2017","82","20","11198","11205","10.1021/acs.joc.7b01614","","","0.71073","MoKα","","0.0593","0.0444","","","0.1108","0.1193","","","","","","1.032","","","","has coordinates","202726","2020-10-21","18:00:00",""
"4032968","9.15","0.003","13.424","0.004","15.319","0.004","90","","104.868","0.006","90","","1818.6","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 F N O -","- C23 H20 F N O -","- C92 H80 F4 N4 O4 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0632","0.0494","","","0.1443","0.1626","","","","","","1.029","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032969","8.439","0.002","22.732","0.006","12.15","0.003","90","","115.339","0.013","90","","2106.6","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 N0 O3 -","- C27 H26 O3 -","- C108 H104 O12 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.1194","0.0794","","","0.2165","0.2501","","","","","","1.038","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032970","8.136","0.011","22.01","0.03","11.172","0.014","90","","106.04","0.02","90","","1923","4","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br N O3 -","- C22 H18 Br N O3 -","- C88 H72 Br4 N4 O12 -","4","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.093","0.0456","","","0.1079","0.1302","","","","","","0.997","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032971","6.7473","0.0014","11.771","0.003","12.597","0.003","62.242","0.005","77.949","0.006","84.286","0.006","865.8","0.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H14 Br N O3 -","- C21 H14 Br N O3 -","- C42 H28 Br2 N2 O6 -","2","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0766","0.0477","","","0.1414","0.1943","","","","","","1.019","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032972","8.8342","0.0015","10.3235","0.0018","11.2424","0.0019","90.781","0.004","107.441","0.004","101.41","0.004","955.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H18 Br N O -","- C25 H18 Br N O -","- C50 H36 Br2 N2 O2 -","2","1","","Liu, Li; Bai, Shu-Hua; Li, Yang; Wang, Li-Xun; Hu, Yang; Sung, Hui-Ling; Li, Jian","Synthesis of 2,3-Diarylisoindolin-1-one by Copper-Catalyzed Cascade Annulation of 2-Formylbenzonitriles, Arenes, and Diaryliodonium Salts.","The Journal of organic chemistry","2017","82","20","11084","11090","10.1021/acs.joc.7b02035","","","0.71073","MoKα","","0.0577","0.0435","","","0.129","0.1723","","","","","","1.013","","","","has coordinates","202713","2020-10-21","18:00:00",""
"4032973","6.3872","0.0005","13.6568","0.0009","18.5349","0.0012","90","","90","","90","","1616.8","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O2 Si -","- C16 H26 O2 Si -","- C64 H104 O8 Si4 -","4","1","","Pantin, Mathilde; Hubert, Jonathan G.; Söhnel, Tilo; Brimble, Margaret A.; Furkert, Daniel P.","Stereochemical Characterization of Polyketide Stereotriads Synthesized via Hydrogen-Mediated Asymmetric syn-Crotylation.","The Journal of organic chemistry","2017","82","20","11225","11229","10.1021/acs.joc.7b01820","","x-ray","0.71073","MoKα","","0.0821","0.0462","","","0.0819","0.0916","","","","","","0.982","","","","has coordinates","202717","2020-10-21","18:00:00",""
"4032974","6.923","0.0012","9.2252","0.0016","13.527","0.002","85.237","0.007","84.232","0.007","76.806","0.007","835.2","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C16 H26 O2 Si -","- C16 H26 O2 Si -","- C32 H52 O4 Si2 -","2","2","","Pantin, Mathilde; Hubert, Jonathan G.; Söhnel, Tilo; Brimble, Margaret A.; Furkert, Daniel P.","Stereochemical Characterization of Polyketide Stereotriads Synthesized via Hydrogen-Mediated Asymmetric syn-Crotylation.","The Journal of organic chemistry","2017","82","20","11225","11229","10.1021/acs.joc.7b01820","","x-ray","0.71073","MoKα","","0.0593","0.0472","","","0.1167","0.1254","","","","","","0.998","","","","has coordinates","202717","2020-10-21","18:00:00",""
"4032975","16.5149","0.0011","14.6947","0.001","9.2256","0.0006","90","","97.975","0.002","90","","2217.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 O4 Si -","- C24 H32 O4 Si -","- C96 H128 O16 Si4 -","4","1","","Basak, Shyam; Mal, Dipakranjan","Applications of [4+2] Anionic Annulation and Carbonyl-Ene Reaction in the Synthesis of Anthraquinones, Tetrahydroanthraquinones, and Pyranonaphthoquinones.","The Journal of organic chemistry","2017","82","20","11035","11051","10.1021/acs.joc.7b01987","","","0.71073","MoKα","","0.0757","0.0597","","","0.1648","0.1822","","","","","","1.086","","","","has coordinates","202731","2020-10-21","18:00:00",""
"4032976","11.5351","0.0005","16.0352","0.0007","11.5477","0.0005","90","","116.978","0.003","90","","1903.52","0.15","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 F2 N2 O5 S -","- C16 H22 F2 N2 O5 S -","- C64 H88 F8 N8 O20 S4 -","4","1","","Soley, Jacob; Chiu, Edmond; Chung, Ryan; Green, Jeremy; Hein, Jason E.; Taylor, Scott D.","Synthesis of β-Ketosulfonamides Derived from Amino Acids and Their Conversion to β-Keto-α,α-difluorosulfonamides via Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","20","11157","11165","10.1021/acs.joc.7b02179","","","0.71073","MoKα","","0.1869","0.0605","","","0.0771","0.094","","","","","","0.992","","","","has coordinates","202729","2020-10-21","18:00:00",""
"4032977","17.635","0.004","13.489","0.003","18.963","0.004","90","0.03","115.43","0.03","90","0.03","4073.8","1.9","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 F5 N S -","- C24 H18 F5 N S -","- C192 H144 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1152","0.0554","","","0.132","0.1758","","","","","","1.042","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032978","26.646","0.002","8.0632","0.0007","22.2653","0.0018","90","","113.291","0.002","90","","4393.9","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H20 F5 N S -","- C26 H20 F5 N S -","- C208 H160 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.101","0.049","","","0.1218","0.1622","","","","","","1.051","","","","has coordinates,has disorder","202720","2020-10-21","18:00:00",""
"4032979","25.9225","0.0019","8.1786","0.0006","22.3161","0.0017","90","","112.605","0.001","90","","4367.8","0.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C26 H18 F5 N S -","- C26 H18 F5 N S -","- C208 H144 F40 N8 S8 -","8","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.0806","0.0474","","","0.1074","0.1254","","","","","","1.016","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032980","53.283","0.019","10.846","0.004","9.606","0.004","90","","91.686","0.005","90","","5549","4","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H22 F5 N S -","- C34 H22 F5 N S -","- C272 H176 F40 N8 S8 -","8","2","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1922","0.0816","","","0.1684","0.2232","","","","","","1.016","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032981","51.849","0.009","10.9446","0.0018","9.8186","0.0015","90","","91.817","0.012","90","","5568.9","1.6","200","2","200","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C34 H26 F5 N S -","- C34 H26 F5 N S -","- C272 H208 F40 N8 S8 -","8","2","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1762","0.1","","","0.263","0.3137","","","","","","1.041","","","","has coordinates,has disorder","202720","2020-10-21","18:00:00",""
"4032982","9.7623","0.0016","12.653","0.002","13.845","0.002","69.164","0.002","78.669","0.002","84.175","0.002","1566.2","0.4","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H20 F5 N S2 -","- C32 H20 F5 N S2 -","- C64 H40 F10 N2 S4 -","2","1","","Gautam, Prabhat; Yu, Craig P.; Zhang, Guoxian; Hillier, Victoria E.; Chan, Julian M. W.","Pulling with the Pentafluorosulfanyl Acceptor in Push-Pull Dyes.","The Journal of organic chemistry","2017","82","20","11008","11020","10.1021/acs.joc.7b01972","","","0.71073","MoKα","","0.1114","0.0532","","","0.1177","0.1437","","","","","","1.009","","","","has coordinates","202720","2020-10-21","18:00:00",""
"4032983","17.456","0.002","9.1464","0.0009","7.771","0.0011","90","","97.656","0.012","90","","1229.7","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Wu, Ting; Chen, Min; Yang, Yuzhu","Synthesis of Indolizines via Palladium Catalyzed Annulation of Propargyl Carbonates and 2-(Pyridin-2-yl)acetonitrile Derivatives.","The Journal of organic chemistry","2017","82","20","11304","11309","10.1021/acs.joc.7b02278","","","0.71073","MoKα","","0.0906","0.0533","","","0.1098","0.1284","","","","","","1.038","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032984","9.919","0.0009","10.0507","0.0009","16.6196","0.0018","90","","97.173","0.008","90","","1643.9","0.3","295","","295","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 -","- C22 H16 N2 -","- C88 H64 N8 -","4","1","","Wu, Ting; Chen, Min; Yang, Yuzhu","Synthesis of Indolizines via Palladium Catalyzed Annulation of Propargyl Carbonates and 2-(Pyridin-2-yl)acetonitrile Derivatives.","The Journal of organic chemistry","2017","82","20","11304","11309","10.1021/acs.joc.7b02278","","x-ray","0.71073","MoKα","","0.0861","0.0512","","","0.1088","0.1278","","","","","","1.044","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4032985","11.1863","0.0005","11.1863","0.0005","6.106","0.0003","90","","90","","120","","661.7","0.05","100","","100","","","","","","","","","3","P 32","P 32","145","","","","- C10 H12 O2 -","- C10 H12 O2 -","- C30 H36 O6 -","3","1","","Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew","One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis.","The Journal of organic chemistry","2017","82","21","11585","11593","10.1021/acs.joc.7b02287","","","1.54178","CuKα","","0.028","0.0276","","","0.0698","0.07","","","","","","1.031","","","","has coordinates","202751","2020-10-21","18:00:00",""
"4032986","7.7296","0.0003","7.7296","0.0003","18.3472","0.0009","90","","90","","120","","949.32","0.07","290","","290","","","","","","","","","4","P 32","P 32","145","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C42 H57 N3 O6 -","3","1","","Faggyas, Réka J; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew","One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Brønsted Acid and Palladium Catalysis.","The Journal of organic chemistry","2017","82","21","11585","11593","10.1021/acs.joc.7b02287","","","1.54178","CuKα","","0.0309","0.0307","","","0.08","0.0801","","","","","","0.986","","","","has coordinates","202751","2020-10-21","18:00:00",""
"4032987","9.3182","0.0004","9.6671","0.0005","13.948","0.0007","71.774","0.003","71.026","0.003","61.633","0.003","1026.41","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 N O3 S -","- C23 H27 N O3 S -","- C46 H54 N2 O6 S2 -","2","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0439","0.0392","","","0.1048","0.1105","","","","","","0.887","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032988","11.726","0.006","25.881","0.012","6.436","0.003","90","","90","","90","","1953.2","1.6","200","2","200","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C22 H24 F N O3 S -","- C22 H24 F N O3 S -","- C88 H96 F4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0681","0.0467","","","0.1125","0.1282","","","","","","0.873","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032989","10.3792","0.0008","21.1918","0.0016","10.5653","0.0008","90","","116.235","0.002","90","","2084.5","0.3","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H24 Cl N O3 S -","- C22 H24 Cl N O3 S -","- C88 H96 Cl4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0591","0.0437","","","0.1109","0.1194","","","","","","1.037","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032990","8.1794","0.0007","33.379","0.003","7.782","0.0007","90","","104.036","0.004","90","","2061.2","0.3","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0666","0.0481","","","0.1215","0.1325","","","","","","1.01","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032991","13.4105","0.0008","8.0327","0.0004","18.4137","0.0011","90","","102.93","0.002","90","","1933.28","0.19","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H23 N O3 S -","- C22 H23 N O3 S -","- C88 H92 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0818","0.0568","","","0.1171","0.1294","","","","","","1.035","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032992","13.0445","0.0006","7.8561","0.0004","20.2474","0.0012","90","","107.757","0.002","90","","1976.08","0.18","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H22 Cl N O3 S -","- C22 H22 Cl N O3 S -","- C88 H88 Cl4 N4 O12 S4 -","4","1","","Tung, Po-Ting; Zhong, Chang-Zhi; Chien, Tzu-Chiang; Yeh, Ming-Chang P","Synthesis of Spirolactams and Fused Bicyclic Lactams via Acid-Promoted Cyclolactamization of (Ethynyl(tosyl)amino)methyl-Tethered Cyclohex-2-enols.","The Journal of organic chemistry","2017","82","21","11543","11557","10.1021/acs.joc.7b02158","","","0.71073","MoKα","","0.0387","0.0341","","","0.0921","0.0966","","","","","","1.048","","","","has coordinates","202756","2020-10-21","18:00:00",""
"4032993","10.413","0.0007","10.5191","0.0007","12.1153","0.0006","96.996","0.005","115.161","0.006","109.448","0.006","1077.34","0.15","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C54 H44 N4 O6 -","2","1","","Zhang, Bing; Wang, Tao; Zhang, Zunting","Gold-Catalyzed Synthesis of 1-(Furan-3-yl)-1,2-diones.","The Journal of organic chemistry","2017","82","21","11644","11654","10.1021/acs.joc.7b01997","","","1.54178","CuKα","","0.0474","0.0412","","","0.1159","0.122","","","","","","1.059","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4032994","20.693","0.003","36.935","0.001","23.506","0.002","90","","107.018","0.003","90","","17179","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C163 H245.65 N16 O19.5 -","- C163 H245.65 N16 O19.5 -","- C652 H982.6 N64 O78 -","4","1","","Teixeira, Filipa A.; Marcos, Paula M.; Ascenso, José R; Brancatelli, Giovanna; Hickey, Neal; Geremia, Silvano","Selective Binding of Spherical and Linear Anions by Tetraphenyl(thio)urea-Based Dihomooxacalix[4]arene Receptors.","The Journal of organic chemistry","2017","82","21","11383","11390","10.1021/acs.joc.7b01801","","","0.85","","","0.1481","0.1389","","","0.3624","0.3705","","","","","","1.062","","","","has coordinates,has disorder","202744","2020-10-21","18:00:00",""
"4032995","8.0101","0.0002","19.8721","0.0005","7.4121","0.0002","90","","111.141","0.001","90","","1100.43","0.05","173","","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H5 Cl3 N2 O -","- C10 H5 Cl3 N2 O -","- C40 H20 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0529","0.0383","","","0.0928","0.1091","","","","","","1.074","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032996","7.4103","0.0003","8.3251","0.0003","9.0266","0.0003","86.17","0.002","83.778","0.002","80.605","0.003","545.47","0.04","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C9 H4 Cl3 N3 O -","- C9 H4 Cl3 N3 O -","- C18 H8 Cl6 N6 O2 -","2","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0689","0.0498","","","0.0991","0.115","","","","","","1.012","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032997","41.9318","0.0018","10.6612","0.0005","9.9175","0.0004","90","","90","","90","","4433.6","0.3","173","","173","","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C9 H4 Cl3 N3 O -","- C9 H4 Cl3 N3 O -","- C144 H64 Cl48 N48 O16 -","16","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0555","0.0412","","","0.0865","0.0989","","","","","","1.01","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032998","7.42034","0.00013","21.1494","0.0004","7.77399","0.00015","90","","90.237","0.0012","90","","1220.01","0.04","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H7 Cl3 N2 O -","- C11 H7 Cl3 N2 O -","- C44 H28 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.0427","0.0346","","","0.0863","0.1","","","","","","1.056","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4032999","8.1387","0.0003","9.4496","0.0003","20.2855","0.0008","90","","101.92","0.002","90","","1526.47","0.1","173","","173","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H9 Cl3 N2 O -","- C16 H9 Cl3 N2 O -","- C64 H36 Cl12 N8 O4 -","4","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.1377","0.0737","","","0.1379","0.1931","","","","","","1.073","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033000","6.79356","0.00016","8.7199","0.0002","11.4031","0.0003","83.3108","0.0015","77.0843","0.0015","85.4068","0.0014","652.92","0.03","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C12 H9 Cl3 N2 O -","- C12 H9 Cl3 N2 O -","- C24 H18 Cl6 N4 O2 -","2","1","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","0.1638","0.0836","","","0.1459","0.209","","","","","","1.352","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033001","11.8833","0.0002","13.2072","0.0002","14.4036","0.0003","65.5529","0.001","74.6958","0.0009","85.3427","0.0011","1983.91","0.06","173","","173","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H13 Cl3 N2 O -","- C22 H13 Cl3 N2 O -","- C88 H52 Cl12 N8 O4 -","4","2","","Takahashi, Yuka; Ikeda, Hirotaka; Kanase, Yuki; Makino, Kosho; Tabata, Hidetsugu; Oshitari, Tetsuta; Inagaki, Satoshi; Otani, Yuko; Natsugari, Hideaki; Takahashi, Hideyo; Ohwada, Tomohiko","Elucidation of the E-Amide Preference of N-Acyl Azoles.","The Journal of organic chemistry","2017","82","21","11370","11382","10.1021/acs.joc.7b01759","","","1.54187","CuKα","","","0.0694","","","","0.2375","","","","","","1.845","","","","has coordinates","202755","2020-10-21","18:00:00",""
"4033002","10.261","0.005","10.261","0.005","18.417","0.005","90","0.005","90","0.005","90","0.005","1939.1","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","rk","","","- C25 H18 N2 S -","- C25 H18 N2 S -","- C100 H72 N8 S4 -","4","1","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.0887","0.0529","","","0.1265","0.152","","","","","","0.915","","","","has coordinates","202758","2020-10-21","18:00:00",""
"4033003","19.569","0.005","7.808","0.005","24.645","0.005","90","0.005","95.082","0.005","90","0.005","3751","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N3 O2 -","- C23 H21 N3 O2 -","- C184 H168 N24 O16 -","8","2","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.1331","0.0816","","","0.2041","0.2416","","","","","","1.053","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4033004","9.405","0.015","9.59","0.02","9.93","0.013","76.25","0.16","85.06","0.12","86.46","0.16","866","3","293","2","293","2","","","","","","","","3","P 1","P 1","1","","","","- C21 H19 N3 -","- C21 H19 N3 -","- C42 H38 N6 -","2","2","","Kumar, Ritush; Asthana, Mrityunjaya; Singh, Radhey M.","Pd-Catalyzed One-Pot Stepwise Synthesis of Benzo[b][1,6]naphthyridines from 2-Chloroquinoline-3-carbonitriles Using Sulfur and Amines As Nucleophiles.","The Journal of organic chemistry","2017","82","21","11531","11542","10.1021/acs.joc.7b02147","","","0.71073","MoKα","","0.0845","0.0514","","","0.0545","0.1773","","","","","","0.983","","","","has coordinates","202758","2020-10-21","18:00:00",""
"4033005","14.2174","0.0005","5.7053","0.0002","31.5369","0.0011","90","","90","","90","","2558.1","0.16","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H11 Br N2 O2 -","- C14 H11 Br N2 O2 -","- C112 H88 Br8 N16 O16 -","8","1","","Chen, Yu-Feng; Chen, Jing; Lin, Li-Jen; Chuang, Gary Jing","Synthesis of Azoxybenzenes by Reductive Dimerization of Nitrosobenzene.","The Journal of organic chemistry","2017","82","21","11626","11630","10.1021/acs.joc.7b01887","","","0.71073","MoKα","","0.0383","0.0267","","","0.067","0.0952","","","","","","1.176","","","","has coordinates","202762","2020-10-21","18:00:00",""
"4033006","11.9896","0.0014","8.0336","0.0009","14.0539","0.0016","90","","98.25","0.002","90","","1339.7","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 F2 N O4 -","- C15 H11 F2 N O4 -","- C60 H44 F8 N4 O16 -","4","1","","Li, Jiaheng; Xu, Cong; Wei, Na; Wang, Mang","Synthesis of 2,2-Difluorinated 4-Isoflavanols/4-Thioisoflavanols via a Base-Catalyzed [4 + 2] Annulation Reaction of gem-Difluoroolefins.","The Journal of organic chemistry","2017","82","21","11348","11357","10.1021/acs.joc.7b01635","","","0.71073","MoKα","","0.055","0.044","","","0.1129","0.1207","","","","","","1.037","","","","has coordinates","202746","2020-10-21","18:00:00",""
"4033007","15.5352","0.0011","7.2602","0.0005","23.4507","0.0017","90","","90","","90","","2645","0.3","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C14 H10 Br N3 O -","- C14 H10 Br N3 O -","- C112 H80 Br8 N24 O8 -","8","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions.","The Journal of organic chemistry","2017","82","21","11487","11493","10.1021/acs.joc.7b02023","","","0.71073","MoKα","","0.0855","0.0447","","","0.0953","0.1077","","","","","","1.045","","","","has coordinates","202750","2020-10-21","18:00:00",""
"4033008","6.8573","0.0006","11.8742","0.001","19.7672","0.0019","90","","90","","90","","1609.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C72 H76 N12 O4 -","4","1","","Chandrasekhar, Attoor; Sankararaman, Sethuraman","Selective Synthesis of 3-Arylbenzo-1,2,3-triazin-4(3H)-ones and 1-Aryl-(1H)-benzo-1,2,3-triazoles from 1,3-Diaryltriazenes through Pd(0) Catalyzed Annulation Reactions.","The Journal of organic chemistry","2017","82","21","11487","11493","10.1021/acs.joc.7b02023","","","0.71073","MoKα","","0.0657","0.0415","","","0.0867","0.0995","","","","","","1.043","","","","has coordinates,has disorder","202750","2020-10-21","18:00:00",""
"4033009","12.141","0.006","16.578","0.008","15.645","0.008","90","","111.516","0.007","90","","2929","3","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C74 H72 O4 -","- C74 H72 O4 -","- C148 H144 O8 -","2","0.5","","Chen, Ke; Liu, Shuai; Wang, Dan; Hao, Wen-Juan; Zhou, Peng; Tu, Shu-Jiang; Jiang, Bo","Silver/Scandium-Cocatalyzed Bicyclization of β-Alkynyl Ketones Leading to Benzo[c]xanthenes and Naphtho[1,2-b]benzofurans.","The Journal of organic chemistry","2017","82","21","11524","11530","10.1021/acs.joc.7b02134","","","0.71073","MoKα","","0.1523","0.0505","","","0.0684","0.0786","","","","","","0.941","","","","has coordinates","202752","2020-10-21","18:00:00",""
"4033010","5.5783","0.0006","25.05","0.003","25.622","0.003","90","","90","","90","","3580.3","0.7","99","2","99","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H31 N3 O10 -","- C40 H31 N3 O10 -","- C160 H124 N12 O40 -","4","1","","Neralkar, Mahesh; Mishra, Bijoyananda; Hotha, Srinivas","Nucleofuge Generating Glycosidations by the Remote Activation of Hydroxybenzotriazolyl Glycosides.","The Journal of organic chemistry","2017","82","21","11494","11504","10.1021/acs.joc.7b02027","","","0.71073","MoKα","","0.1757","0.0782","","","0.1851","0.2318","","","","","","1.122","","","","has coordinates","202742","2020-10-21","18:00:00",""
"4033011","18.6401","0.0012","14.9843","0.001","12.6094","0.0009","90","","112.356","0.003","90","","3257.2","0.4","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C17 H17 Br N2 S -","- C17 H17 Br N2 S -","- C136 H136 Br8 N16 S8 -","8","1","","Pathak, Ambika; Justin Thomas, K. R.; Singh, Meenu; Jou, Jwo-Huei","Fine-Tuning of Photophysical and Electroluminescence Properties of Benzothiadiazole-Based Emitters by Methyl Substitution.","The Journal of organic chemistry","2017","82","21","11512","11523","10.1021/acs.joc.7b02127","","","0.71073","MoKα","","0.1207","0.0434","","","0.1067","0.1435","","","","","","0.987","","","","has coordinates","202747","2020-10-21","18:00:00",""
"4033012","7.341","","10.055","","21.981","","90","","90","","90","","1622.5","","100","0.1","100","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H18 O9 -","- C17 H18 O9 -","- C68 H72 O36 -","4","1","","Padiyar, Laxmansingh T.; Zulueta, Medel Manuel L.; Sabbavarapu, Narayana Murthy; Hung, Shang-Cheng","Yb(OTf)3-Catalyzed Desymmetrization of myo-Inositol 1,3,5-Orthoformate and Its Application in the Synthesis of Chiral Inositol Phosphates.","The Journal of organic chemistry","2017","82","21","11418","11430","10.1021/acs.joc.7b01919","","","0.71073","MoKα","","0.0458","0.0362","","","0.0714","0.0766","","","","","","1.04","","","","has coordinates","202754","2020-10-21","18:00:00",""
"4033013","11.5153","0.0008","14.7212","0.001","17.6408","0.0012","90","","102.172","0.001","90","","2923.2","0.3","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H35 N3 O5 -","- C34 H35 N3 O5 -","- C136 H140 N12 O20 -","4","1","","Hurtley, Anna E.; Stone, Elizabeth A.; Metrano, Anthony J.; Miller, Scott J.","Desymmetrization of Diarylmethylamido Bis(phenols) through Peptide-Catalyzed Bromination: Enantiodivergence as a Consequence of a 2 amu Alteration at an Achiral Residue within the Catalyst.","The Journal of organic chemistry","2017","82","21","11326","11336","10.1021/acs.joc.7b02339","","","1.54178","CuKα","","0.0345","0.0302","","","0.0783","0.0801","","","","","","1.07","","","","has coordinates","202761","2020-10-21","18:00:00",""
"4033014","11.4675","0.0003","17.311","0.0004","23.6038","0.0006","82.207","0.0018","89.031","0.002","82.4628","0.0019","4602.3","0.2","93","2","93","2","","","","","","","","5","P 1","P 1","1","","","","- C34 H34 Br N3 O5 -","- C34 H34 Br N3 O5 -","- C204 H204 Br6 N18 O30 -","6","6","","Hurtley, Anna E.; Stone, Elizabeth A.; Metrano, Anthony J.; Miller, Scott J.","Desymmetrization of Diarylmethylamido Bis(phenols) through Peptide-Catalyzed Bromination: Enantiodivergence as a Consequence of a 2 amu Alteration at an Achiral Residue within the Catalyst.","The Journal of organic chemistry","2017","82","21","11326","11336","10.1021/acs.joc.7b02339","","","1.54184","CuKα","","0.0688","0.0654","","","0.1671","0.1719","","","","","","1.026","","","","has coordinates","202761","2020-10-21","18:00:00",""
"4033015","14.0424","0.0008","17.427","0.0008","20.7378","0.0009","90","","90","","90","","5074.9","0.4","293","0.2","293","0.2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O2 P -","- C33 H25 O2 P -","- C264 H200 O16 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.0975","0.057","","","0.1211","0.1499","","","","","","1.058","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033016","18.1366","0.001","13.9563","0.0006","19.6941","0.0009","90","","90","","90","","4985","0.4","288.78","0.1","288.78","0.1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C33 H25 O3 P -","- C33 H25 O3 P -","- C264 H200 O24 P8 -","8","1","","Li, Xue-Song; Han, Ya-Ping; Zhu, Xin-Yu; Li, Ming; Wei, Wan-Xu; Liang, Yong-Min","Synthesis of Organophosphorus Compounds through Copper-Catalyzed Annulation Involving C-O and C-P Bond Formations.","The Journal of organic chemistry","2017","82","21","11636","11643","10.1021/acs.joc.7b01947","","","0.71073","MoKα","","0.1169","0.0634","","","0.1245","0.1585","","","","","","1.046","","","","has coordinates","202759","2020-10-21","18:00:00",""
"4033018","13.409","0.003","22.975","0.005","14.825","0.003","90","","90.869","0.003","90","","4566.6","1.7","93","","93","","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C76 H10 Cl2 F6 Li N O4 S2 -","- C75.9963 H9.9926 Cl1.9926 F6 Li N O4 S2 -","- C303.985 H39.9704 Cl7.9704 F24 Li4 N4 O16 S8 -","4","1","","Ueno, Hiroshi; Okada, Hiroshi; Aoyagi, Shinobu; Matsuo, Yutaka","Synthesis and Crystal Structure of Li(+)@Fluoreno[60]fullerene: Effect of Encapsulated Lithium Ion on Electrochemistry of Spiroannelated Fullerene.","The Journal of organic chemistry","2017","82","21","11631","11635","10.1021/acs.joc.7b01893","","","0.71075","MoKα","","0.0601","0.0482","","","0.1374","0.1506","","","","","","1.069","","","","has coordinates,has disorder","202753","2020-10-21","18:00:00",""
"4033019","26.35","0.005","12.971","0.003","26.783","0.005","90","","117.97","0.03","90","","8085","4","293","2","293","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","","","- C21 H28 Br N O -","- C21 H28 Br N O -","- C336 H448 Br16 N16 O16 -","16","4","","Liu, Yu; Yi, Xiangli; Luo, Xuewei; Xi, Chanjuan","MeOTf-Mediated Annulation of Alkylnitriles and Arylalkynes Leading to Polysubstituted NH-Pyrroles.","The Journal of organic chemistry","2017","82","21","11391","11398","10.1021/acs.joc.7b01845","","","0.71073","MoKα","","0.149","0.1055","","","0.1851","0.2035","","","","","","1.207","","","","has coordinates","254431","2020-10-21","18:00:00",""
"4033020","7.6298","0.0015","8.2139","0.0016","13.786","0.003","85.2","0.03","78.12","0.03","89.03","0.03","842.5","0.3","173.15","","173.15","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl N O -","- C20 H18 Cl N O -","- C40 H36 Cl2 N2 O2 -","2","1","","Liu, Yu; Yi, Xiangli; Luo, Xuewei; Xi, Chanjuan","MeOTf-Mediated Annulation of Alkylnitriles and Arylalkynes Leading to Polysubstituted NH-Pyrroles.","The Journal of organic chemistry","2017","82","21","11391","11398","10.1021/acs.joc.7b01845","","","0.71073","MoKα","","0.0552","0.0519","","","0.1474","0.1505","","","","","","1.105","","","","has coordinates","202757","2020-10-21","18:00:00",""
"4033021","14.3407","0.0004","12.2598","0.0004","25.881","0.0008","90","","90","","90","","4550.2","0.2","103.4","","103.4","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H31 N O5 -","- C25 H31 N O5 -","- C200 H248 N8 O40 -","8","1","","Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei","Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).","The Journal of organic chemistry","2017","82","21","11474","11486","10.1021/acs.joc.7b02010","","","1.5418","CuKα","","0.0438","0.0389","","","0.0957","0.0995","","","","","","1.038","","","","has coordinates","202745","2020-10-21","18:00:00",""
"4033022","10.838","0.0002","10.16461","0.00019","19.4057","0.0004","90","","105.682","0.002","90","","2058.23","0.07","102.8","","102.8","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O4 -","- C24 H27 N O4 -","- C96 H108 N4 O16 -","4","1","","Han, Junjie; Liu, Congcong; Li, Li; Zhou, Hui; Liu, Li; Bao, Li; Chen, Qian; Song, Fuhang; Zhang, Lixin; Li, Erwei; Liu, Ling; Pei, Yunfei; Jin, Cheng; Xue, Yanfen; Yin, Wenbing; Ma, Yanhe; Liu, Hongwei","Decalin-Containing Tetramic Acids and 4-Hydroxy-2-pyridones with Antimicrobial and Cytotoxic Activity from the Fungus Coniochaeta cephalothecoides Collected in Tibetan Plateau (Medog).","The Journal of organic chemistry","2017","82","21","11474","11486","10.1021/acs.joc.7b02010","","","1.5418","CuKα","","0.0426","0.0393","","","0.0982","0.1009","","","","","","1.054","","","","has coordinates","202745","2020-10-21","18:00:00",""
"4033023","5.71","0.002","9.405","0.003","20.359","0.007","88.572","0.006","88.944","0.006","76.822","0.006","1064.1","0.6","273","2","273.15","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H22 Cl O2 P -","- C27 H22 Cl O2 P -","- C54 H44 Cl2 O4 P2 -","2","1","","Shan, Changkai; Chen, Fushan; Pan, Jiaoting; Gao, Yuxing; Xu, Pengxiang; Zhao, Yufen","Zn(OTf)2-Catalyzed Phosphinylation of Propargylic Alcohols: Access to γ-Ketophosphine Oxides.","The Journal of organic chemistry","2017","82","21","11659","11666","10.1021/acs.joc.7b02164","","","0.71073","MoKα","","0.0676","0.0554","","","0.1344","0.1426","","","","","","1.081","","","","has coordinates","202748","2020-10-21","18:00:00",""
"4033024","14.49","0.003","11.438","0.003","20.816","0.004","90","","90","","90","","3450","1.3","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H17 N O5 -","- C20 H17 N O5 -","- C160 H136 N8 O40 -","8","1","","Zhao, Xiaoyuan; Zhang, Yong; Deng, Jun; Zhang-Negrerie, Daisy; Du, Yunfei","TBHP/TBAI-Mediated Oxidative Cascade Reaction Consisting of Dimerization, Cyclization, and 1,2-Aryl Migration: Metal-Free Synthesis of Pyrrolin-4-ones and Highly Substituted Pyrroles.","The Journal of organic chemistry","2017","82","23","12682","12690","10.1021/acs.joc.7b02491","","","0.71073","MoKα","","0.0686","0.0541","","","0.1291","0.1381","","","","","","1.062","","","","has coordinates","204862","2020-10-21","18:00:00",""
"4033025","18.3954","0.0006","10.8878","0.0004","19.5641","0.0007","90","","94.55","0.003","90","","3906.1","0.2","100.01","0.1","100.01","0.1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H24 F3 N O4.5 P -","- C17 H24 F3 N O4.5 P -","- C136 H192 F24 N8 O36 P8 -","8","2","","Wu, Wanqing; Lin, Zhiming; Zhu, Chuanle; Chen, Pengquan; Li, Jiawei; Jiang, Huanfeng","Transition-Metal-Free [3+2] Cycloaddition of Dehydroaminophosphonates and N-Tosylhydrazones: Access to Aminocyclopropanephosphonates with Adjacent Quaternary-Tetrasubstituted Carbon Centers.","The Journal of organic chemistry","2017","82","23","12746","12756","10.1021/acs.joc.7b01862","","x-ray","1.54184","CuKα","","0.0635","0.056","","","0.1429","0.15","","","","","","1.036","","","","has coordinates","204863","2020-10-21","18:00:00",""
"4033026","10.2112","0.0002","17.8559","0.0005","21.0675","0.0004","90","","90","","90","","3841.24","0.15","100","0.1","100","0.1","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 F3 N O4 P -","- C17 H23 F3 N O4 P -","- C136 H184 F24 N8 O32 P8 -","8","2","","Wu, Wanqing; Lin, Zhiming; Zhu, Chuanle; Chen, Pengquan; Li, Jiawei; Jiang, Huanfeng","Transition-Metal-Free [3+2] Cycloaddition of Dehydroaminophosphonates and N-Tosylhydrazones: Access to Aminocyclopropanephosphonates with Adjacent Quaternary-Tetrasubstituted Carbon Centers.","The Journal of organic chemistry","2017","82","23","12746","12756","10.1021/acs.joc.7b01862","","x-ray","1.54184","CuKα","","0.041","0.0394","","","0.1051","0.1071","","","","","","1.006","","","","has coordinates","204863","2020-10-21","18:00:00",""
"4033027","13.433","0.001","8.4143","0.0006","20.157","0.0014","90","","90.985","0.007","90","","2278","0.3","293","2","293","2","","","","","","","Synthesis","5","P 1 21/n 1","-P 2yn","14","","Unknown","","- C28 H23 N O3 S -","- C28 H23 N O3 S -","- C112 H92 N4 O12 S4 -","4","1","","Chandra Sahoo, Subas; Joshi, Mayank; Chandra Pan, Subhas","Diastereoselective Desymmetrization of Prochiral Cyclopentenediones via Cycloaddition Reaction with N-Phenacylbenzothiazolium Bromides.","The Journal of organic chemistry","2017","82","23","12763","12770","10.1021/acs.joc.7b01964","","x-ray","0.71073","MoKα","","0.0708","0.0483","","","0.1185","0.1335","","","","","","1.094","","","","has coordinates","204868","2020-10-21","18:00:00",""
"4033028","12.2788","0.0005","13.5044","0.0005","15.3335","0.0004","105.77","0.003","110.274","0.003","90.739","0.003","2279.07","0.15","100","0.2","100","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H25 N O4 S -","- C29 H25 N O4 S -","- C116 H100 N4 O16 S4 -","4","2","","Chandra Sahoo, Subas; Joshi, Mayank; Chandra Pan, Subhas","Diastereoselective Desymmetrization of Prochiral Cyclopentenediones via Cycloaddition Reaction with N-Phenacylbenzothiazolium Bromides.","The Journal of organic chemistry","2017","82","23","12763","12770","10.1021/acs.joc.7b01964","","x-ray","0.71073","MoKα","","0.0806","0.0542","","","0.148","0.1576","","","","","","0.97","","","","has coordinates","204868","2020-10-21","18:00:00",""
"4033029","5.0386","0.0003","24.2827","0.0013","12.1901","0.0006","90","","94.863","0.004","90","","1486.1","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 N O5 -","- C16 H19 N O5 -","- C64 H76 N4 O20 -","4","1","","Lepitre, Thomas; Denhez, Clement; Moncol, Jan; Othman, Mohamed; Lawson, Ata Martin; Daïch, Adam","Structure-Based Kinetic Control in a Domino Process: A Powerful Tool Toward Molecular Diversity in Chromone Series.","The Journal of organic chemistry","2017","82","23","12188","12201","10.1021/acs.joc.7b01996","","","1.54186","CuKα","","0.0532","0.0456","","","0.1187","0.1224","","","","","","1.035","","","","has coordinates,has disorder","204857","2020-10-21","18:00:00",""
"4033030","4.9377","0.0008","11.3507","0.0019","18.673","0.003","72.387","0.003","88.787","0.003","85.279","0.004","994.1","0.3","296","2","296","","","","","","","","","5","P 1","P 1","1","","","","- C23 H17 I N2 O3 -","- C23 H17 I N2 O3 -","- C46 H34 I2 N4 O6 -","2","2","","Chai, Guo-Li; Han, Jian-Wei; Wong, Henry N. C.","Asymmetric Darzens Reaction of Isatins with Diazoacetamides Catalyzed by Chiral BINOL-Titanium Complex.","The Journal of organic chemistry","2017","82","23","12647","12654","10.1021/acs.joc.7b02439","","","0.71073","MoKα","","0.0982","0.0407","","","0.0456","0.0569","","","","","","0.922","","","","has coordinates","204870","2020-10-21","18:00:00",""
"4033031","5.0548","0.0007","8.0834","0.001","37.866","0.005","90","","90","","90","","1547.2","0.4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H13 I N2 O3 -","- C17 H13 I N2 O3 -","- C68 H52 I4 N8 O12 -","4","1","","Chai, Guo-Li; Han, Jian-Wei; Wong, Henry N. C.","Asymmetric Darzens Reaction of Isatins with Diazoacetamides Catalyzed by Chiral BINOL-Titanium Complex.","The Journal of organic chemistry","2017","82","23","12647","12654","10.1021/acs.joc.7b02439","","","0.71073","MoKα","","0.0392","0.0363","","","0.0828","0.0841","","","","","","1.121","","","","has coordinates","204870","2020-10-21","18:00:00",""
"4033032","31.771","0.002","7.3683","0.0006","16.5063","0.0011","90","","100.174","0.006","90","","3803.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N O -","- C26 H23 N O -","- C208 H184 N8 O8 -","8","1","","Wojcik, Laurianne; Michaud, François; Gauthier, Sébastien; Cabon, Nolwenn; Le Poul, Pascal; Gloaguen, Frederic; Le Poul, Nicolas","Reversible Redox Switching of Chromophoric Phenylmethylenepyrans by Carbon-Carbon Bond Making/Breaking.","The Journal of organic chemistry","2017","82","23","12395","12405","10.1021/acs.joc.7b02199","","x-ray","0.71073","MoKα","","0.0938","0.0551","","","0.1075","0.1257","","","","","","1.058","","","","has coordinates,has disorder","288505","2023-12-22","15:12:01",""
"4033033","10.2518","0.0003","11.019","0.0003","11.4871","0.0003","84.87","0.001","86.994","0.001","86.549","0.001","1288.65","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2-(4-(benzylamino)furo[2,3-c]pyridazin-6-yl)ethan-1-ol","","- C15 H15 N3 O2 -","- C15 H15 N3 O2 -","- C60 H60 N12 O8 -","4","2","","Ganley, Jacob M.; Waller, David L.","Synthesis of Furo[2,3-c]pyridazines via Tandem Transition-Metal Catalysis.","The Journal of organic chemistry","2017","82","23","12740","12745","10.1021/acs.joc.7b01819","","","1.54178","CuKα","","0.0414","0.0367","","","0.0886","0.092","","","","","","1.04","","","","has coordinates","204836","2020-10-21","18:00:00",""
"4033034","7.59159","0.00019","20.3087","0.0003","21.5684","0.0004","90","","90","","90","","3325.32","0.11","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H46 N2 O5 -","- C35 H46 N2 O5 -","- C140 H184 N8 O20 -","4","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Fowler, Thomas R.; Kennedy, Matthew S.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of 3-Deoxy-3-aminosphingoid Bases: Approaches Based on Parallel Kinetic Resolution and Double Asymmetric Induction.","The Journal of organic chemistry","2017","82","23","12447","12466","10.1021/acs.joc.7b02233","","","1.5418","CuKα","","0.0657","0.0631","","0.1824","0.1771","0.1822","","","","","","0.9538","","","","has coordinates","204841","2020-10-21","18:00:00",""
"4033035","7.10434","0.00019","10.684","0.0003","11.6324","0.0004","82.814","0.003","75.572","0.002","76.583","0.002","829.62","0.04","150","","150","","","","","","","","","4","P 1","P 1","1","","","","- C38 H46 N2 O3 -","- C38 H46 N2 O3 -","- C38 H46 N2 O3 -","1","1","","Csatayová, Kristína; Davies, Stephen G.; Fletcher, Ai M.; Fowler, Thomas R.; Kennedy, Matthew S.; Roberts, Paul M.; Thomson, James E.","Asymmetric Syntheses of 3-Deoxy-3-aminosphingoid Bases: Approaches Based on Parallel Kinetic Resolution and Double Asymmetric Induction.","The Journal of organic chemistry","2017","82","23","12447","12466","10.1021/acs.joc.7b02233","","","1.54184","CuKα","","0.037","0.0356","","0.0959","0.094","0.0956","","","","","","0.9992","","","","has coordinates","204841","2020-10-21","18:00:00",""
"4033036","7.2555","0.0004","6.3055","0.0004","19.0027","0.001","90","","96.908","0.005","90","","863.05","0.09","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Zhi, Wubin; Li, Jingya; Zou, Dapeng; Wu, Yusheng; Wu, Yangjie","Palladium-Catalyzed Diastereoselective Synthesis of 3-Arylbutanoic Acid Derivatives.","The Journal of organic chemistry","2017","82","23","12286","12293","10.1021/acs.joc.7b02104","","x-ray","1.54184","CuKα","","0.0382","0.035","","","0.0904","0.0942","","","","","","1.029","","","","has coordinates","204845","2020-10-21","18:00:00",""
"4033037","16.35","0.003","5.9252","0.0012","17.079","0.003","90","","115.06","0.03","90","","1498.8","0.6","292","2","292","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H26 B N -","- C15 H26 B N -","- C60 H104 B4 N4 -","4","1","","Mateo, Pierre; Cinqualbre, Joséphine E; Meyer Mojzes, Melinda; Schenk, Kurt; Renaud, Philippe","Reductive Alkylation of Tertiary Lactams via Addition of Organocopper (RCu) Reagents to Thioiminium Ions.","The Journal of organic chemistry","2017","82","23","12318","12327","10.1021/acs.joc.7b02150","","x-ray","0.71073","MoKα","","0.1305","0.0705","","","0.1799","0.2107","","","","","","1.027","","","","has coordinates","204848","2020-10-21","18:00:00",""
"4033038","5.7278","0.0006","17.5633","0.0019","21.791","0.002","90","","90","","90","","2192.2","0.4","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 N0 O2 P -","- C23 H31 O2 P -","- C92 H124 O8 P4 -","4","1","","Liu, Li-Juan; Wang, Wei-Min; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Xu, Hao; Xu, Zhong-Yuan; Li, Qiang; Zhao, Chang-Qiu; Han, Li-Biao","Reinvestigation of the Substitutions Reaction of Stereogenic Phosphoryl Compounds: Stereochemistry, Mechanism, and Applications.","The Journal of organic chemistry","2017","82","23","11990","12002","10.1021/acs.joc.7b01326","","","0.71073","MoKα","","0.1436","0.0522","","","0.1184","0.1655","","","","","","0.669","","","","has coordinates","204849","2020-10-21","18:00:00",""
"4033039","12.4777","0.0011","5.797","0.0007","15.419","0.0019","90","","100.727","0.001","90","","1095.8","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H31 N0 O2 P -","- C23 H31 O2 P -","- C46 H62 O4 P2 -","2","1","","Liu, Li-Juan; Wang, Wei-Min; Yao, Lan; Meng, Fan-Jie; Sun, Yong-Ming; Xu, Hao; Xu, Zhong-Yuan; Li, Qiang; Zhao, Chang-Qiu; Han, Li-Biao","Reinvestigation of the Substitutions Reaction of Stereogenic Phosphoryl Compounds: Stereochemistry, Mechanism, and Applications.","The Journal of organic chemistry","2017","82","23","11990","12002","10.1021/acs.joc.7b01326","","","0.71073","MoKα","","0.0877","0.0658","","","0.1567","0.1697","","","","","","0.89","","","","has coordinates","211179","2020-10-21","18:00:00",""
"4033040","5.5617","0.0002","9.7074","0.0004","10.4167","0.0003","88.569","0.002","85.582","0.002","77.614","0.002","547.65","0.03","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H15 N O4 -","- C10 H15 N O4 -","- C20 H30 N2 O8 -","2","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","1.54178","CuKα","","0.0441","0.0401","","","0.1005","0.1031","","","","","","1.091","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033041","9.5142","0.0002","9.6019","0.0003","10.1754","0.0002","63.556","0.001","71.826","0.002","68.914","0.001","763.67","0.03","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H23 Cl N2 O6 -","- C12 H23 Cl N2 O6 -","- C24 H46 Cl2 N4 O12 -","2","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","0.71073","MoKα","","0.0324","0.0314","","","0.0783","0.0792","","","","","","1.035","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033042","10.2719","0.0003","10.6899","0.0003","16.9891","0.0005","90","","90","","90","","1865.5","0.09","102","2","102","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C6 H14 Cl N O4 -","- C6 H14 Cl N O4 -","- C48 H112 Cl8 N8 O32 -","8","1","","Feskov, Illia O.; Chernykh, Anton V.; Kondratov, Ivan S.; Klyachina, Mariya; Daniliuc, Constantin G.; Haufe, Günter","Cyclobutyl-Containing Rigid Analogues of Threonine: Synthesis and Physical Chemical Properties.","The Journal of organic chemistry","2017","82","23","12863","12868","10.1021/acs.joc.7b02259","","","1.54178","CuKα","","0.0329","0.0324","","","0.0793","0.0799","","","","","","1.103","","","","has coordinates","204864","2020-10-21","18:00:00",""
"4033043","9.0352","0.0003","10.3936","0.0003","19.7212","0.0006","90","","100.661","0.003","90","","1820.02","0.1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 N2 O3 S -","- C22 H16 N2 O3 S -","- C88 H64 N8 O12 S4 -","4","1","","Bai, Peirong; Sun, Suyan; Li, Zexian; Qiao, Huijie; Su, Xiaoxue; Yang, Fan; Wu, Yusheng; Wu, Yangjie","Ru/Cu Photoredox or Cu/Ag Catalyzed C4-H Sulfonylation of 1-Naphthylamides at Room Temperature.","The Journal of organic chemistry","2017","82","23","12119","12127","10.1021/acs.joc.7b01917","","x-ray","1.54184","CuKα","","0.0491","0.0413","","","0.1047","0.1127","","","","","","1.051","","","","has coordinates","204866","2020-10-21","18:00:00",""
"4033044","18.263","0.003","18.263","0.003","61.044","0.009","90","","90","","90","","20360","6","173.15","","173.15","","","","","","","","","3","I 41/a","-I 4ad","88","","","","- C65 H41 N5 -","- C65 H41 N5 -","- C1040 H656 N80 -","16","","","Huang, Fu; Wang, Guangxia; Ma, Lishuang; Wang, Ying; Chen, Xuebo; Che, Yanke; Jiang, Hua","Molecular Spur Gears Based on a Switchable Quinquepyridine Foldamer Acting as a Stator.","The Journal of organic chemistry","2017","82","23","12106","12111","10.1021/acs.joc.7b01864","","","0.71073","MoKα","","0.1372","0.1042","","","0.2564","0.2727","","","","","","1.449","","","","has coordinates","204835","2020-10-21","18:00:00",""
"4033045","12.3456","0.0009","8.7625","0.0005","19.7466","0.0014","90","","101.307","0.003","90","","2094.7","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H12 N O3 -","- C17 H12 N O3 -","- C102 H72 N6 O18 -","6","3","","Sivamuthuraman, Koilpitchai; Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Diastereo- and Enantioselective Synthesis of 2,2-Disubstituted Benzofuran-3-one Bearing Adjacent Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2017","82","20","10812","10822","10.1021/acs.joc.7b01105","","","0.71073","MoKα","","0.1142","0.0548","","","0.1262","0.1493","","","","","","1.028","","","","has coordinates","202602","2020-10-21","18:00:00",""
"4033046","9.0459","0.0006","15.6351","0.0012","24.8362","0.0014","90","","90","","90","","3512.7","0.4","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C18 H14 Br N O6 -","- C18 H14 Br N O6 -","- C144 H112 Br8 N8 O48 -","8","1","","Sivamuthuraman, Koilpitchai; Kumarswamyreddy, Nandarapu; Kesavan, Venkitasamy","Diastereo- and Enantioselective Synthesis of 2,2-Disubstituted Benzofuran-3-one Bearing Adjacent Quaternary and Tertiary Stereocenters.","The Journal of organic chemistry","2017","82","20","10812","10822","10.1021/acs.joc.7b01105","","","0.71073","MoKα","","0.0752","0.0376","","","0.0671","0.076","","","","","","0.974","","","","has coordinates","202603","2020-10-21","18:00:00",""
"4033047","8.3051","0.0004","10.1444","0.0005","12.8453","0.0005","90","","91.577","0.003","90","","1081.81","0.09","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H44 F8 N4 O8 -","- C44 H44 F8 N4 O8 -","- C44 H44 F8 N4 O8 -","1","0.25","","Zhao, Qinglan; Xiang, Haoyue; Xiao, Jun-An; Xia, Peng-Ju; Wang, Jun-Jie; Chen, Xiaoqing; Yang, Hua","Selectfluor-Triggered Tandem Cyclization of o-Hydroxyarylenaminones To Access Difluorinated 2-Amino-Substituted Chromanones.","The Journal of organic chemistry","2017","82","18","9837","9843","10.1021/acs.joc.7b01339","","","0.71073","MoKα","","0.0479","0.0363","","","0.0953","0.104","","","","","","1.041","","","","has coordinates","202604","2020-10-21","18:00:00",""
"4033048","4.2219","0.0002","16.5496","0.0008","20.8964","0.0009","90","","91.288","0.004","90","","1459.68","0.12","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","6-bromo-1(5-chloro-2-hydroxy-4-methoxy-phenyl)napthalene-2-ol","6-bromo-1(5-chloro-2-hydroxy-4-methoxy-phenyl)napthalene-2-ol","","- C17 H12 Br Cl O3 -","- C17 H12 Br Cl O3 -","- C68 H48 Br4 Cl4 O12 -","4","1","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.0699","0.0443","","","0.0921","0.1047","","","","","","1.023","","","","has coordinates","202605","2020-10-21","18:00:00",""
"4033049","8.7526","0.0004","9.017","0.0004","19.8984","0.0007","90.101","0.002","90.003","0.002","102.3","0.002","1534.37","0.11","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H14 Br Cl O4 -","- C15 H14 Br Cl O4 -","- C60 H56 Br4 Cl4 O16 -","4","2","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.1185","0.0433","","","0.0819","0.1004","","","","","","0.973","","","","has coordinates","202606","2020-10-21","18:00:00",""
"4033050","7.704","0.005","9.207","0.005","16.462","0.005","92.799","0.005","102.322","0.005","90.028","0.005","1139.3","1","296","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H28 O8 -","- C25 H28 O8 -","- C50 H56 O16 -","2","1","","Sharma, Shivangi; Parumala, Santosh Kumar Reddy; Peddinti, Rama Krishna","Lewis Acid-Mediated Site-Selective Synthesis of Oxygenated Biaryls from Methoxyphenols and Electron-Rich Arenes.","The Journal of organic chemistry","2017","82","18","9367","9383","10.1021/acs.joc.7b00684","","","0.71073","MoKα","","0.0696","0.0452","","","0.1133","0.1292","","","","","","1.035","","","","has coordinates","202607","2020-10-21","18:00:00",""
"4033051","8.366","0.003","10.586","0.004","18.446","0.006","90","","90","","90","","1633.6","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H21 N O -","- C20 H21 N O -","- C80 H84 N4 O4 -","4","1","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.2447","0.0667","","","0.1175","0.1674","","","","","","0.809","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033052","12.846","0.002","7.3513","0.0009","13.544","0.002","90","","116.45","0.02","90","","1145.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl N -","- C12 H16 Cl N -","- C48 H64 Cl4 N4 -","4","1","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.1542","0.0743","","","0.1912","0.2366","","","","","","0.879","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033053","9.5079","0.0003","9.5079","0.0003","32.2672","0.0019","90","","90","","120","","2526.16","0.19","293","2","293","2","","","","","","","","5","P 32","P 32","145","","","","- C20 H20 F N O -","- C20 H20 F N O -","- C120 H120 F6 N6 O6 -","6","2","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.2139","0.0553","","","0.0842","0.1142","","","","","","0.811","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033054","6.143","0.003","9.618","0.003","55.166","0.013","90","","90","","90","","3259","2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 F N O -","- C20 H20 F N O -","- C160 H160 F8 N8 O8 -","8","2","","Denisenko, Aleksandr V.; Druzhenko, Tetiana; Skalenko, Yevhen; Samoilenko, Maryna; Grygorenko, Oleksandr O.; Zozulya, Sergey; Mykhailiuk, Pavel K.","Photochemical Synthesis of 3-Azabicyclo[3.2.0]heptanes: Advanced Building Blocks for Drug Discovery.","The Journal of organic chemistry","2017","82","18","9627","9636","10.1021/acs.joc.7b01678","","","0.71073","MoKα","","0.1855","0.0755","","","0.1376","0.1854","","","","","","0.796","","","","has coordinates","202608","2020-10-21","18:00:00",""
"4033055","13.9502","0.0016","7.9101","0.0009","11.5513","0.0015","90","","104.996","0.004","90","","1231.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F2 O4 -","- C13 H12 F2 O4 -","- C52 H48 F8 O16 -","4","1","","Sha, Wanxing; Zhang, Wenzhong; Ni, Shengyang; Mei, Haibo; Han, Jianlin; Pan, Yi","Photoredox-Catalyzed Cascade Difluoroalkylation and Intramolecular Cyclization for Construction of Fluorinated γ-Butyrolactones.","The Journal of organic chemistry","2017","82","18","9824","9831","10.1021/acs.joc.7b01279","","","0.71073","MoKα","","0.0448","0.0376","","","0.0948","0.0994","","","","","","1.034","","","","has coordinates","202609","2020-10-21","18:00:00",""
"4033056","8.8364","0.0004","9.5204","0.0004","13.5931","0.0005","81.065","0.002","87.232","0.002","78.031","0.002","1104.95","0.08","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H18 N2 O5 -","- C27 H18 N2 O5 -","- C54 H36 N4 O10 -","2","1","","Sharma, Nitika; Peddinti, Rama Krishna","Iodine-Catalyzed Regioselective Synthesis of Multisubstiuted Pyrrole Polyheterocycles Free from Rotamers and Keto-Enol Tautomers.","The Journal of organic chemistry","2017","82","18","9360","9366","10.1021/acs.joc.7b01538","","","0.71073","MoKα","","0.0673","0.0427","","","0.1104","0.1256","","","","","","0.977","","","","has coordinates","202610","2020-10-21","18:00:00",""
"4033057","6.269","0.0003","27.3913","0.0011","7.1608","0.0004","90","","113.19","0.006","90","","1130.28","0.11","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C50 H68 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0647","0.0491","","","0.1119","0.1245","","","","","","0.995","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033058","6.1751","0.0006","13.4968","0.0011","13.5761","0.0007","90","","90.834","0.007","90","","1131.37","0.15","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H36 O6 -","- C25 H36 O6 -","- C50 H72 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0937","0.0611","","","0.1511","0.1695","","","","","","1.115","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033059","6.7453","0.0005","11.8927","0.001","14.4914","0.0013","90","","101.28","0.009","90","","1140.04","0.17","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H34 O6 -","- C25 H34 O6 -","- C50 H68 O12 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.099","0.0642","","","0.1514","0.1774","","","","","","0.895","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033060","6.1762","0.0004","15.9914","0.0007","7.1677","0.0004","90","","114.107","0.007","90","","646.18","0.07","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O2 -","- C15 H22 O2 -","- C30 H44 O4 -","2","1","","Huang, Sheng-Han; Liang, Kai-Hsiang; Lu, Jia-Syun; Chang, Wei-Sheng; Su, Ming-Der; Yang, Te-Fang","Total Synthesis of (+)-Antrocin and Its Diastereomer and Clarification of the Absolute Stereochemistry of (-)-Antrocin.","The Journal of organic chemistry","2017","82","18","9576","9584","10.1021/acs.joc.7b01600","","","1.54178","CuKα","","0.0591","0.0483","","","0.1314","0.1418","","","","","","0.894","","","","has coordinates","202611","2020-10-21","18:00:00",""
"4033061","8.2539","0.0006","9.3035","0.0006","15.4181","0.001","94.023","0.003","94.343","0.003","95.709","0.003","1171.1","0.14","296","2","296","2","","","","","","","","6","P -1","-P 1","2","KSH-2733","","","- C26 H23 Br N2 O2 S -","- C26 H23 Br N2 O2 S -","- C52 H46 Br2 N4 O4 S2 -","2","1","","Kim, Sanghyuck; Kim, Hyunseok; Um, Kyusik; Lee, Phil Ho","Synthesis of Azepinoindoles via Rhodium-Catalyzed Formal Aza-[4 + 3] Cycloaddition Reaction of 3-Diazoindolin-2-imines with 1,3-Dienes in One-Pot.","The Journal of organic chemistry","2017","82","18","9808","9815","10.1021/acs.joc.7b01150","","","0.71073","","","0.1653","0.1524","","","0.3515","0.3597","","","","","","0.861","","","","has coordinates","202612","2020-10-21","18:00:00",""
"4033062","7.937","0.003","9.671","0.004","11.189","0.004","82.485","0.009","77.888","0.008","74.91","0.017","808.1","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O6 -","- C19 H22 O6 -","- C38 H44 O12 -","2","1","","Mehl, Lea-Marina; Maier, Martin E.","A Radical-Based Synthesis of Lingzhiol.","The Journal of organic chemistry","2017","82","18","9844","9850","10.1021/acs.joc.7b01416","","","0.71073","MoKα","","0.0434","0.0385","","","0.1026","0.1068","","","","","","1.041","","","","has coordinates","202613","2020-10-21","18:00:00",""
"4033063","8.8975","0.0006","9.7369","0.0005","10.996","0.0009","96.23","0.006","112.79","0.007","112.251","0.006","775.65","0.12","291","2","291.15","","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","1","","Cheng, Guolin; Xue, Lulu; Weng, Yunxiang; Cui, Xiuling","Transition-Metal-Free Cascade Approach toward 2-Alkoxy/2-Sulfenylpyridines and Dihydrofuro[2,3-b]pyridines by Trapping In Situ Generated 1,4-Oxazepine.","The Journal of organic chemistry","2017","82","18","9515","9524","10.1021/acs.joc.7b01541","","","1.54184","CuKα","","0.0485","0.0409","","","0.11","0.1164","","","","","","1.05","","","","has coordinates","202614","2020-10-21","18:00:00",""
"4033064","14.4488","0.0013","7.0914","0.0006","12.1819","0.0011","90","","96.893","0.001","90","","1239.16","0.19","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","Dimethyl 2-(2-hydroxyphenyl)cyclopropane-1,1-dicarboxylate","","- C13 H14 O5 -","- C13 H14 O5 -","- C52 H56 O20 -","4","1","","Ivanov, Konstantin L.; Villemson, Elena V.; Latyshev, Gennadij V.; Bezzubov, Stanislav I.; Majouga, Alexander G.; Melnikov, Mikhail Ya; Budynina, Ekaterina M.","Regioselective Hydrogenolysis of Donor-Acceptor Cyclopropanes with Zn-AcOH Reductive System.","The Journal of organic chemistry","2017","82","18","9537","9549","10.1021/acs.joc.7b01549","","","0.71073","MoKα","","0.0456","0.0365","","","0.089","0.0951","","","","","","1.039","","","","has coordinates","202615","2020-10-21","18:00:00",""
"4033065","8.1826","0.0003","11.3714","0.0006","12.6284","0.0007","73.609","0.005","85.465","0.004","89.729","0.004","1123.57","0.1","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(Z)-ethyl 3-((methoxycarbonyl)amino)-4-methyl-2-(3-(4-nitrophenyl)- 5-oxoisoxazol-4(5H)-ylidene)-2,3-dihydrothiazole-5-carboxylate compound with methanol (1:1)","","- C19 H20 N4 O9 S -","- C19 H20 N4 O9 S -","- C38 H40 N8 O18 S2 -","2","1","","Santeusanio, Stefania; Majer, Roberta; Perrulli, Francesca Romana; De Crescentini, Lucia; Favi, Gianfranco; Giorgi, Gianluca; Mantellini, Fabio","Divergent Approach to Thiazolylidene Derivatives: A Perspective on the Synthesis of a Heterocyclic Skeleton from β-Amidothioamides Reactivity.","The Journal of organic chemistry","2017","82","18","9773","9778","10.1021/acs.joc.7b02135","","","0.71073","MoKα","","0.0708","0.043","","","0.1074","0.1146","","","","","","0.957","","","","has coordinates,has disorder","202616","2020-10-21","18:00:00",""
"4033066","5.575","0.006","10.617","0.012","10.854","0.012","88.562","0.019","89.239","0.019","77.545","0.018","627.1","1.2","298","1","298","1","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O3 -","- C14 H20 O3 -","- C28 H40 O6 -","2","1","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.0921","0.0718","","","0.2009","0.2288","","","","","","0.961","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033067","5.631","0.001","7.857","0.002","41.046","0.008","90","","90","","90","","1816","0.7","296","1","296","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H26 O -","- C24 H26 O -","- C96 H104 O4 -","4","1","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.0718","0.0654","","","0.1488","0.1528","","","","","","1.167","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033068","23.131","0.004","8.671","0.002","13.663","0.002","90","","104.576","0.003","90","","2652.2","0.9","150","1","150","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 O -","- C17 H20 O -","- C136 H160 O8 -","8","2","","Lankri, David; Mostinski, Yelena; Tsvelikhovsky, Dmitry","Palladium-Catalyzed Cascade Assembly of Tricyclic Spiroethers from Diene-Alcohol Precursors.","The Journal of organic chemistry","2017","82","18","9452","9463","10.1021/acs.joc.7b01481","","","0.71073","MoKα","","0.079","0.0679","","","0.1404","0.1459","","","","","","1.168","","","","has coordinates","202617","2020-10-21","18:00:00",""
"4033069","11.742","0.002","5.365","0.002","29.118","0.006","90","","93.44","0.03","90","","1831","0.8","208","2","208","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2,6-Di(4'-methoxyphenyl)anilinium chloride","","- C20 H22 Cl N O3 -","- C20 H22 Cl N O3 -","- C80 H88 Cl4 N4 O12 -","4","1","","Simó Padial, Joan; Poater, Jordi; Nguyen, D. Thao; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions.","The Journal of organic chemistry","2017","82","18","9418","9424","10.1021/acs.joc.7b01406","","","0.71073","MoKα","","0.0616","0.0518","","","0.1283","0.1325","","","","","","1.212","","","","has coordinates","202618","2020-10-21","18:00:00",""
"4033070","7.4384","0.0008","11.371","0.0008","22.6158","0.0019","90","","90","","90","","1912.9","0.3","208","2","208","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","2,6-Di(4'-methoxyphenyl)anilinium perchlorate","","- C20 H20 Cl N O6 -","- C20 H20 Cl N O6 -","- C80 H80 Cl4 N4 O24 -","4","1","","Simó Padial, Joan; Poater, Jordi; Nguyen, D. Thao; Tinnemans, Paul; Bickelhaupt, F. Matthias; Mecinović, Jasmin","Stabilization of 2,6-Diarylanilinum Cation by Through-Space Cation-π Interactions.","The Journal of organic chemistry","2017","82","18","9418","9424","10.1021/acs.joc.7b01406","","","0.71073","MoKα","","0.044","0.0374","","","0.0904","0.0939","","","","","","1.054","","","","has coordinates","202619","2020-10-21","18:00:00",""
"4033071","9.8054","0.0019","10.1259","0.0019","10.558","0.002","89.345","0.003","88.968","0.004","70.63","0.003","988.8","0.3","296","2","296.15","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C42 H46 N6 O8 -","2","1","","Cheng, Bin; Wei, Jian; Zu, Bing; Zhao, Jianfei; Wang, Taimin; Duan, Xiaoguang; Wang, Renqi; Li, Yun; Zhai, Hongbin","A Chemoselective N-Arylation Reaction of 2-Aminopyridine Derivatives with Arynes.","The Journal of organic chemistry","2017","82","18","9410","9417","10.1021/acs.joc.7b01405","","","0.71073","MoKα","","0.126","0.0638","","","0.1621","0.1957","","","","","","1.046","","","","has coordinates,has disorder","202620","2020-10-21","18:00:00",""
"4033072","27.4647","0.0017","9.7877","0.0006","17.8406","0.0011","90","","98.419","0.003","90","","4744.2","0.5","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C25 H35 O5.5 -","- C25 H35 O5.5 -","- C200 H280 O44 -","8","2","","Jiménez, Fermín; Fernández, Antonio; Boulifa, Ettahir; Mansour, Ahmed Ibn; Alvarez-Manzaneda, Ramón; Chahboun, Rachid; Alvarez-Manzaneda, Enrique","Diastereoselective Intramolecular Heck Reaction Assisted by an Acetate Group: Synthesis of the Decahydrobenzofluorene Derivative Dasyscyphin E.","The Journal of organic chemistry","2017","82","18","9550","9559","10.1021/acs.joc.7b01551","","","0.71069","MoKα","","0.0373","0.0322","","","0.0721","0.0751","","","","","","1.07","","","","has coordinates","255262","2020-10-21","18:00:00",""
"4033073","9.4863","0.0002","11.1115","0.0003","38.056","0.0011","90","","90","","90","","4011.37","0.18","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H45 N3 O6 S -","- C45 H45 N3 O6 S -","- C180 H180 N12 O24 S4 -","4","1","","Vishwanatha, Thimmalapura M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cysteine Isocyanide in Multicomponent Reaction: Synthesis of Peptido-Mimetic 1,3-Azoles.","The Journal of organic chemistry","2017","82","18","9585","9594","10.1021/acs.joc.7b01615","","","1.54184","CuKα","","0.0639","0.0575","","","0.1524","0.1596","","","","","","1.055","","","","has coordinates","202622","2020-10-21","18:00:00",""
"4033074","8.6788","0.0006","9.5182","0.0006","21.2735","0.0015","79.873","0.006","88.99","0.006","70.685","0.006","1631","0.2","129.95","0.1","129.95","0.1","","","","","","","","5","P 1","P 1","1","","","","- C36 H37 N3 O6 S -","- C36 H37 N3 O6 S -","- C72 H74 N6 O12 S2 -","2","2","","Vishwanatha, Thimmalapura M.; Kurpiewska, Katarzyna; Kalinowska-Tłuścik, Justyna; Dömling, Alexander","Cysteine Isocyanide in Multicomponent Reaction: Synthesis of Peptido-Mimetic 1,3-Azoles.","The Journal of organic chemistry","2017","82","18","9585","9594","10.1021/acs.joc.7b01615","","x-ray","1.54184","CuKα","","0.083","0.0641","","","0.1667","0.204","","","","","","1.012","","","","has coordinates","204142","2020-10-21","18:00:00",""
"4033075","8.512","0.002","12.733","0.004","16.119","0.004","85.958","0.006","81.538","0.006","76.058","0.006","1676","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H15 Cl N2 O2 S -","- C19 H15 Cl N2 O2 S -","- C76 H60 Cl4 N8 O8 S4 -","4","2","","Rassokhina, Irina V.; Tikhonova, Tatyana A.; Kobylskoy, Sergey G.; Babkin, Igor Yu; Shirinian, Valerii Z.; Gevorgyan, Vladimir; Zavarzin, Igor V.; Volkova, Yulia A.","Synthesis of Imidazo[2,1-b]thiazoles via Copper-Catalyzed A(3)-Coupling in Batch and Continuous Flow.","The Journal of organic chemistry","2017","82","18","9682","9692","10.1021/acs.joc.7b01762","","","0.71073","MoKα","","0.089","0.0496","","","0.1075","0.1276","","","","","","0.941","","","","has coordinates","202624","2020-10-21","18:00:00",""
"4033076","6.7758","0.0008","9.5853","0.0011","11.3689","0.0013","69.107","0.011","76.089","0.01","74.028","0.011","654.83","0.14","294","","294","","","","","","","","","4","P -1","-P 1","2","","(E)-Ethyl 3-(4,6-dimethyl-3-oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)acrylate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C26 H28 N4 O8 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0763","0.0496","","","0.1449","0.1678","","","","","","1.044","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033077","4.0791","0.0001","8.7997","0.0002","19.3763","0.0004","90","","92.115","0.002","90","","695.04","0.03","297.4","0.14","297.4","0.14","","","","","","","","4","P 1 21 1","P 2yb","4","","(E)-Ethyl 3-(4,6-dimethyl-3- oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)but-2-enoate (2b)","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C28 H32 N4 O8 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","1.54184","CuKα","","0.0327","0.0315","","","0.0819","0.0834","","","","","","1.059","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033078","4.98625","0.00015","15.4076","0.0005","14.7032","0.0005","90","","97.361","0.003","90","","1120.28","0.06","130.15","","130.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(E)-4,6-Dimethyl-1-(3-oxobut-1-enyl)isoxazolo[3,4-b]pyridin-3(1H)-one","","- C12 H12 N2 O3 -","- C12 H12 N2 O3 -","- C48 H48 N8 O12 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","","1.54184","CuKα","","0.0416","0.0372","","","0.1005","0.1042","","","","","","1.06","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033079","12.5735","0.0006","6.9794","0.0003","15.562","0.0008","90","","107.943","0.005","90","","1299.23","0.11","294.67","0.1","294.67","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(Z)-Ethyl 3-(4,6-dimethyl-3-oxoisoxazolo[3,4-b]pyridin-1(3H)-yl)acrylate","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C52 H56 N8 O16 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0903","0.0527","","","0.1346","0.157","","","","","","1.058","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033080","3.83581","0.00005","9.67555","0.0001","31.0045","0.0004","90","","90.1572","0.0011","90","","1150.68","0.02","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(E)-1-(3-Oxobut-1-enyl)isoxazolo[3,4-b]quinolin-3(1H)-one","","- C14 H10 N2 O3 -","- C14 H10 N2 O3 -","- C56 H40 N8 O12 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","1.54184","CuKα","","0.0415","0.0388","","","0.0999","0.1027","","","","","","1.041","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033081","8.2258","0.0004","11.9963","0.0006","14.8642","0.0008","79.378","0.004","77.597","0.004","76.203","0.004","1377.45","0.13","294.74","0.1","294.74","0.1","","","","","","","","4","P -1","-P 1","2","","(2E,3E)-Diethyl 2-(((E)-3-ethoxy-3-oxoprop-1-enyloxy)methylene)-3-((3-(ethoxycarbonyl)-4,6-dimethylpyridin-2-ylamino)methylene)succinate","","- C25 H32 N2 O9 -","- C25 H32 N2 O9 -","- C50 H64 N4 O18 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0973","0.0641","","","0.1604","0.1825","","","","","","1.035","","","","has coordinates","202625","2020-10-21","18:00:00",""
"4033082","8.8727","0.0006","11.1374","0.0007","15.4529","0.0009","100.611","0.005","95.091","0.005","112.613","0.006","1363.95","0.17","294.74","0.1","294.74","0.1","","","","","","","","4","P -1","-P 1","2","","(2E,3E)-Diethyl 2-(((E)-3-ethoxy-3-oxoprop-1-enyloxy)methylene)-3-((3-(ethoxycarbonyl)quinolin-2-ylamino)methylene)succinate","","- C27 H30 N2 O9 -","- C27 H30 N2 O9 -","- C54 H60 N4 O18 -","2","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0659","0.0453","","","0.1138","0.128","","","","","","1.038","","","","has coordinates,has disorder","202625","2020-10-21","18:00:00",""
"4033083","10.9426","0.0006","17.63","0.0011","8.9922","0.0005","90","","112.155","0.005","90","","1606.68","0.17","294","","294","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-ethoxy-3-oxopropanamido)-4,6-dimethylnicotinate","","- C15 H20 N2 O5 -","- C15 H20 N2 O5 -","- C60 H80 N8 O20 -","4","1","","Sączewski, Jarosław; Fedorowicz, Joanna; Gdaniec, Maria; Wiśniewska, Paulina; Sieniawska, Emilia; Drażba, Zuzanna; Rzewnicka, Justyna; Balewski, Łukasz","The Elusive Paal-Knorr Intermediates in the Trofimov Synthesis of Pyrroles: Experimental and Theoretical Studies.","The Journal of organic chemistry","2017","82","18","9737","9743","10.1021/acs.joc.7b01851","","x-ray","0.71073","MoKα","","0.0787","0.05","","","0.123","0.1396","","","","","","1.033","","","","has coordinates,has disorder","202625","2020-10-21","18:00:00",""
"4033084","11.124","0.002","9.3717","0.0019","19.35","0.004","90","","92.32","0.03","90","","2015.6","0.7","113","2","113","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H19 O P S -","- C26 H19 O P S -","- C104 H76 O4 P4 S4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0482","0.0392","","","0.1062","0.1115","","","","","","1.062","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033085","9.7031","0.0008","10.2466","0.0005","12.6418","0.001","112.471","0.005","90.022","0.007","107.012","0.006","1101.65","0.15","113","2","113.15","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 O P S -","- C26 H31 O P S -","- C52 H62 O2 P2 S2 -","2","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0303","0.0285","","","0.0793","0.0803","","","","","","1.053","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033086","9.728","0.003","15.946","0.004","13.081","0.003","90","","105.066","0.007","90","","1959.4","0.9","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 O2 P -","- C26 H19 O2 P -","- C104 H76 O8 P4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0408","0.0344","","","0.0882","0.0928","","","","","","1.026","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033087","16.654","0.005","16.844","0.004","16.96","0.005","90","","113.798","0.006","90","","4353","2","113","2","113","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 O2 P S -","- C27 H21 O2 P S -","- C216 H168 O16 P8 S8 -","8","2","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0345","0.0304","","","0.0811","0.083","","","","","","1.037","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033088","16.615","0.002","16.577","0.002","16.859","0.003","90","","113.608","0.003","90","","4254.8","1.1","113","2","113","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 Cl O P S -","- C26 H18 Cl O P S -","- C208 H144 Cl8 O8 P8 S8 -","8","2","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0302","0.0271","","","0.0755","0.0766","","","","","","1.062","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033089","12.193","0.002","12.336","0.002","14.229","0.002","90","","99.021","0.005","90","","2113.8","0.6","113","2","113","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H31 O P -","- C26 H31 O P -","- C104 H124 O4 P4 -","4","1","","Wang, Huanan; Wang, Baiquan; Li, Bin","Synthesis of 3-Arylbenzofuran-2-ylphosphines via Rhodium-Catalyzed Redox-Neutral C-H Activation and Their Applications in Palladium-Catalyzed Cross-Coupling of Aryl Chlorides.","The Journal of organic chemistry","2017","82","18","9560","9569","10.1021/acs.joc.7b01566","","","0.71073","MoKα","","0.0345","0.0305","","","0.0829","0.0854","","","","","","1.059","","","","has coordinates","202626","2020-10-21","18:00:00",""
"4033090","8.8777","0.0002","10.5133","0.0003","10.7419","0.0003","92.713","0.001","109.356","0.001","114.653","0.001","839.32","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C44 H38 N2 O6 -","2","1","","Srinivas, Kolluru; Sharma, Rashmi; Ramana, Chepuri V.","Interrupting Base-Mediated Benzofuran Ring Transformation with Michael Acceptors.","The Journal of organic chemistry","2017","82","18","9816","9823","10.1021/acs.joc.7b01267","","","0.71073","MoKα","","0.0491","0.0463","","","0.116","0.118","","","","","","1.049","","","","has coordinates","202627","2020-10-21","18:00:00",""
"4033091","12.2869","0.0011","6.2004","0.0005","15.4191","0.0011","90","","90","","90","","1174.68","0.16","293","2","293","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C15 H11 N O2 -","- C15 H11 N O2 -","- C60 H44 N4 O8 -","4","1","","Bai, Dachang; Jia, Qingqian; Xu, Teng; Zhang, Qiuqiu; Wu, Fen; Ma, Chaorui; Liu, Bingxian; Chang, Junbiao; Li, Xingwei","Rhodium(III)-Catalyzed C-H Activation of Nitrones and Annulative Coupling with Nitroalkenes.","The Journal of organic chemistry","2017","82","18","9877","9884","10.1021/acs.joc.7b01574","","","0.71073","MoKα","","0.0433","0.0379","","","0.1007","0.107","","","","","","1.041","","","","has coordinates","202628","2020-10-21","18:00:00",""
"4033092","5.58762","0.00007","8.03454","0.00008","25.9706","0.0003","90","","90","","90","","1165.92","0.02","150","0.1","150","0.1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 N2 -","- C14 H16 N2 -","- C56 H64 N8 -","4","1","","Yu, Yue; Chen, Yang; Huang, Wei; Wu, Wanqing; Jiang, Huanfeng","One-Pot Synthesis of Spirocyclic or Fused Pyrazoles from Cyclic Ketones: Calcium Carbide as the Carbon Source in Ring Expansion.","The Journal of organic chemistry","2017","82","18","9479","9486","10.1021/acs.joc.7b01496","","x-ray","1.54184","CuKα","","0.0305","0.0293","","","0.0741","0.075","","","","","","1.084","","","","has coordinates","202629","2020-10-21","18:00:00",""
"4033093","5.751","0.0002","8.5852","0.0004","41.6195","0.0017","90","","90","","90","","2054.9","0.15","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H31 O P -","- C23 H31 O P -","- C92 H124 O4 P4 -","4","1","","Nie, Shao-Zhen; Zhou, Zhong-Yang; Wang, Ji-Ping; Yan, Hui; Wen, Jing-Hong; Ye, Jing-Jing; Cui, Yun-Yao; Zhao, Chang-Qiu","Nonepimerizing Alkylation of H-P Species to Stereospecifically Generate P-Stereogenic Phosphine Oxides: A Shortcut to Bidentate Tertiary Phosphine Ligands.","The Journal of organic chemistry","2017","82","18","9425","9434","10.1021/acs.joc.7b01413","","","1.54184","CuKα","","0.0466","0.0434","","","0.1019","0.1036","","","","","","1.138","","","","has coordinates","202630","2020-10-21","18:00:00",""
"4033094","10.2211","0.0007","18.2509","0.0011","10.5603","0.0006","90","","107.925","0.002","90","","1874.3","0.2","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H20 N2 O5 -","- C20 H20 N2 O5 -","- C80 H80 N8 O20 -","4","1","","Jiang, Shengsheng; Li, Kai; Yan, Jun; Shi, Kuangxi; Zhao, Chengtao; Yang, Limin; Zhong, Guofu","Synthetic Access to Oxazolidin-4-ones via Elimination/[3+2] Cycloaddition Reaction.","The Journal of organic chemistry","2017","82","18","9779","9785","10.1021/acs.joc.7b00547","","","0.71073","MoKα","","0.1112","0.0522","","","0.0871","0.1165","","","","","","1.004","","","","has coordinates","202631","2020-10-21","18:00:00",""
"4033095","9.9297","0.0006","20.0787","0.0015","8.6718","0.0007","90","","102.943","0.002","90","","1685","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H21 N O3 -","- C17 H21 N O3 -","- C68 H84 N4 O12 -","4","1","","Jiang, Shengsheng; Li, Kai; Yan, Jun; Shi, Kuangxi; Zhao, Chengtao; Yang, Limin; Zhong, Guofu","Synthetic Access to Oxazolidin-4-ones via Elimination/[3+2] Cycloaddition Reaction.","The Journal of organic chemistry","2017","82","18","9779","9785","10.1021/acs.joc.7b00547","","","0.71073","MoKα","","0.1391","0.0787","","","0.1264","0.1497","","","","","","1.001","","","","has coordinates","202632","2020-10-21","18:00:00",""
"4033096","18.2219","0.0007","8.5559","0.0003","21.5811","0.0008","90","","90.875","0.002","90","","3364.2","0.2","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C32 H33 Br N2 O8 S -","- C32 H33 Br N2 O8 S -","- C128 H132 Br4 N8 O32 S4 -","4","1","","Zheng, Yu; Wang, Jing; Xia, Peng-Ju; Zhao, Qing-Lan; Xiao, Jun-An; Xiang, Hao-Yue; Chen, Xiao-Qing; Yang, Hua","Organocatalytic Asymmetric Allylic Alkylation of Morita-Baylis-Hillman Carbonates with Diethyl 2-Aminomalonate Assisted by In Situ Protection.","The Journal of organic chemistry","2017","82","23","12202","12208","10.1021/acs.joc.7b02064","","","0.71073","MoKα","","0.0623","0.0499","","","0.1305","0.1355","","","","","","1.124","","","","has coordinates","258458","2020-10-21","18:00:00",""
"4033097","9.9789","0.0007","7.0934","0.0005","11.0379","0.0007","90","","115.725","0.0012","90","","703.87","0.08","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Br N O5 -","- C14 H14 Br N O5 -","- C28 H28 Br2 N2 O10 -","2","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.0424","0.0397","","","0.0978","0.0993","","","","","","1.049","","","","has coordinates","204840","2020-10-21","18:00:00",""
"4033098","9.9791","0.0006","7.0599","0.0004","10.8562","0.0007","90","","115.146","0.001","90","","692.35","0.07","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H14 Cl N O5 -","- C14 H14 Cl N O5 -","- C28 H28 Cl2 N2 O10 -","2","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.0355","0.0335","","","0.0818","0.0832","","","","","","1.024","","","","has coordinates","204840","2020-10-21","18:00:00",""
"4033099","28.295","0.004","4.8587","0.0006","13.2","0.0017","90","","97.994","0.002","90","","1797.1","0.4","200","2","200","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H26 O7 -","- C18 H26 O7 -","- C72 H104 O28 -","4","1","","Hsieh, Yu-You; Raja, Arun; Hong, Bor-Cherng; Kotame, Prakash; Chang, Wan-Chen; Lee, Gene-Hsiang","Organocatalytic Enantioselective Michael-Acetalization-Henry Reaction Cascade of 2-Hydroxynitrostyrene and 5-Oxohexanal for the Entry to the Hexahydro-6H-benzo[c]chromenones with Four Consecutive Stereogenic Centers and an Approach to Aflatoxin Analogues.","The Journal of organic chemistry","2017","82","23","12840","12848","10.1021/acs.joc.7b02178","","","0.71073","MoKα","","0.1156","0.0716","","","0.1599","0.1924","","","","","","1.019","","","","has coordinates,has disorder","204840","2020-10-21","18:00:00",""
"4033100","8.8038","0.0014","17.766","0.003","13.229","0.002","90","","105.812","0.005","90","","1990.8","0.6","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 Cl N2 O2 -","- C23 H23 Cl N2 O2 -","- C92 H92 Cl4 N8 O8 -","4","1","","Balalaie, Saeed; Ramezani Kejani, Reihaneh; Ghabraie, Elmira; Darvish, Fatemeh; Rominger, Frank; Hamdan, Fatima; Bijanzadeh, Hamid Reza","Diastereoselective Synthesis of Functionalized Diketopiperazines through Post-transformational Reactions.","The Journal of organic chemistry","2017","82","23","12141","12152","10.1021/acs.joc.7b01855","","","0.71073","MoKα","","0.077","0.0515","","","0.0971","0.1111","","","","","","1.06","","","","has coordinates","204846","2020-10-21","18:00:00",""
"4033101","9.0717","0.0011","11.0319","0.0012","13.525","0.0018","89.234","0.003","71.16","0.003","75.601","0.003","1237.5","0.3","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O2 -","- C30 H30 N2 O2 -","- C60 H60 N4 O4 -","2","1","","Balalaie, Saeed; Ramezani Kejani, Reihaneh; Ghabraie, Elmira; Darvish, Fatemeh; Rominger, Frank; Hamdan, Fatima; Bijanzadeh, Hamid Reza","Diastereoselective Synthesis of Functionalized Diketopiperazines through Post-transformational Reactions.","The Journal of organic chemistry","2017","82","23","12141","12152","10.1021/acs.joc.7b01855","","","0.71073","MoKα","","0.0846","0.0557","","","0.1107","0.131","","","","","","1.111","","","","has coordinates","204846","2020-10-21","18:00:00",""
"4033102","6.2831","0.0007","12.7652","0.0014","13.3011","0.0014","83.604","0.008","84.3","0.009","89.56","0.009","1054.9","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H29 N O -","- C25 H29 N O -","- C50 H58 N2 O2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1829","0.0932","","","0.1957","0.2463","","","","","","0.975","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033103","10.3709","0.0013","16.766","0.002","10.7394","0.0013","90","","114.581","0.006","90","","1698.1","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 N S -","- C22 H19 N S -","- C88 H76 N4 S4 -","4","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.0925","0.0566","","","0.2041","0.2349","","","","","","0.906","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033104","8.4733","0.001","8.8139","0.001","32.111","0.003","90","","92.043","0.011","90","","2396.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 N O4 -","- C31 H27 N O4 -","- C124 H108 N4 O16 -","4","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1216","0.0642","","","0.1657","0.2271","","","","","","0.918","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033105","9.1124","0.0009","9.1345","0.001","10.9267","0.0012","113.534","0.007","97.413","0.007","108.934","0.007","752.86","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.089","0.0463","","","0.1006","0.1168","","","","","","0.976","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033106","7.3419","0.0007","15.3072","0.0012","14.5765","0.0014","90","","90.222","0.01","90","","1638.2","0.3","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C40 H40 Cl N O2 -","- C40 H40 Cl N O2 -","- C80 H80 Cl2 N2 O4 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.0664","0.0448","","","0.101","0.1185","","","","","","1.014","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033107","10.2452","0.0008","10.4468","0.0008","10.9779","0.0009","77.834","0.007","86.634","0.007","71.187","0.007","1087.16","0.16","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H31 N -","- C28 H31 N -","- C56 H62 N2 -","2","1","","Gattu, Radhakrishna; Bagdi, Prasanta Ray; Basha, R. Sidick; Khan, Abu T.","Camphorsulfonic Acid Catalyzed One-Pot Three-Component Reaction for the Synthesis of Fused Quinoline and Benzoquinoline Derivatives.","The Journal of organic chemistry","2017","82","23","12416","12429","10.1021/acs.joc.7b02159","","","0.71073","MoKα","","0.1074","0.064","","","0.1483","0.1841","","","","","","1.039","","","","has coordinates","204853","2020-10-21","18:00:00",""
"4033108","13.167","0.003","3.8642","0.0006","25.147","0.004","90","","99.037","0.008","90","","1263.6","0.4","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H11 N3 O2 -","- C16 H11 N3 O2 -","- C64 H44 N12 O8 -","4","1","","Mishra, Aniket; Vats, Tripta Kumari; Nair, Mahesh P.; Das, Arindam; Deb, Indubhusan","Rhodium-Catalyzed sp2 C-H Acetoxylation of N-Aryl Azaindoles/N-Heteroaryl Indolines.","The Journal of organic chemistry","2017","82","23","12406","12415","10.1021/acs.joc.7b02203","","","0.71073","MoKα","","0.0577","0.0389","","","0.1039","0.1106","","","","","","1.05","","","","has coordinates","204871","2020-10-21","18:00:00",""
"4033109","10.9695","0.0003","14.7196","0.0003","15.6452","0.0004","90","","90","","90","","2526.18","0.11","296","2","296.15","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 N3 O2 -","- C14 H13 N3 O2 -","- C112 H104 N24 O16 -","8","1","","Mishra, Aniket; Vats, Tripta Kumari; Nair, Mahesh P.; Das, Arindam; Deb, Indubhusan","Rhodium-Catalyzed sp2 C-H Acetoxylation of N-Aryl Azaindoles/N-Heteroaryl Indolines.","The Journal of organic chemistry","2017","82","23","12406","12415","10.1021/acs.joc.7b02203","","","0.71073","MoKα","","0.0425","0.0379","","","0.0964","0.1009","","","","","","1.069","","","","has coordinates","204871","2020-10-21","18:00:00",""
"4033110","5.774","","14.657","","12.222","","90","","101.02","","90","","1015.27","","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N4 O2 S -","- C22 H19 N4 O2 S -","- C44 H38 N8 O4 S2 -","2","1","","Zheng, Guangfan; Sun, Jiaqiong; Liu, Yang; Yang, Shengbiao; Li, Yan; Sun, Haizhu; Zhang, Qian","Copper-Catalyzed Azidative Multifunctionalization of Alkynes.","The Journal of organic chemistry","2017","82","23","12813","12820","10.1021/acs.joc.7b02148","","","0.71073","MoKα","","0.0865","0.0509","","","0.1267","0.1517","","","","","","0.859","","","","has coordinates","204828","2020-10-21","18:00:00",""
"4033111","17.066","0.003","12.178","0.002","16.125","0.003","90","","90","","90","","3351.3","1","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C12 H12 B N O2 -","- C12 H12 B N O2 -","- C144 H144 B12 N12 O24 -","12","1.5","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0809","0.0686","","","0.1909","0.2038","","","","","","1.065","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033112","7.6993","0.0011","16.097","0.002","13.712","0.002","90","","94.426","0.008","90","","1694.3","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B N O -","- C18 H24 B N O -","- C72 H96 B4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0996","0.0597","","","0.159","0.1841","","","","","","1.039","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033113","7.6038","0.0005","16.0985","0.001","13.4899","0.0009","90","","93.173","0.002","90","","1648.76","0.19","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 B N2 O -","- C17 H23 B N2 O -","- C68 H92 B4 N8 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.1194","0.0776","","","0.1893","0.2094","","","","","","1.04","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033114","13.233","0.006","7.758","0.003","16.663","0.007","90","","105.564","0.011","90","","1647.9","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H19 B I N O -","- C16 H19 B I N O -","- C64 H76 B4 I4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0448","0.0367","","","0.0901","0.0944","","","","","","1.079","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033115","6.201","0.003","14.303","0.005","15.463","0.007","90","","90","","90","","1371.5","1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 B N O2 -","- C16 H14 B N O2 -","- C64 H56 B4 N4 O8 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.1119","0.0603","","","0.1448","0.1708","","","","","","0.948","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033116","7.764","0.003","21.061","0.008","8.476","0.003","90","","111.392","0.011","90","","1290.5","0.8","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H14 B N O -","- C16 H14 B N O -","- C64 H56 B4 N4 O4 -","4","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0434","0.0399","","","0.1078","0.1112","","","","","","1.043","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033117","8.1911","0.0005","9.4733","0.0006","12.3973","0.0007","111.95","0.002","97.068","0.002","93.448","0.003","879.57","0.09","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 B N O2 -","- C22 H18 B N O2 -","- C44 H36 B2 N2 O4 -","2","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0639","0.043","","","0.1064","0.1195","","","","","","1.021","","","","has coordinates,has disorder","204834","2020-10-21","18:00:00",""
"4033118","7.5743","0.0003","9.7671","0.0003","11.9956","0.0004","74.985","0.001","82.007","0.001","70.923","0.001","808.61","0.05","170","2","170","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H22 B N O -","- C18 H22 B N O -","- C36 H44 B2 N2 O2 -","2","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","0.71073","MoKα","","0.0564","0.0484","","","0.1331","0.1404","","","","","","1.047","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033119","13.9639","0.0018","9.1183","0.0011","16.431","0.002","90","","90","","90","","2092.1","0.4","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C12 H12 B N O -","- C12 H12 B N O -","- C96 H96 B8 N8 O8 -","8","1","","Zhang, Ying; Sun, Feiye; Dan, Wenyan; Fang, Xiangdong","Friedel-Crafts Acylation Reactions of BN-Substituted Arenes.","The Journal of organic chemistry","2017","82","23","12877","12887","10.1021/acs.joc.7b02343","","","1.54178","CuKα","","0.0806","0.0655","","","0.1815","0.1941","","","","","","1.065","","","","has coordinates","204834","2020-10-21","18:00:00",""
"4033120","23.2457","0.001","9.0807","0.0004","18.6858","0.0009","90","","96.79","0.004","90","","3916.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C200 H168 N8 O16 -","8","2","","Xia, Yu; Wang, Li-Jing; Wang, Jia; Chen, Si; Shen, Yi; Guo, Chun-Huan; Liang, Yong-Min","Palladium-Catalyzed Construction of Tetracyclic Scaffolds via the 1,7-Enyne Carbocyclization/Iodophenol Dearomatization Cascade.","The Journal of organic chemistry","2017","82","23","12386","12394","10.1021/acs.joc.7b02196","","","0.71073","MoKα","","0.1279","0.0678","","","0.1329","0.1689","","","","","","1.044","","","","has coordinates","254835","2020-10-21","18:00:00",""
"4033121","7.8728","0.0009","6.9222","0.0008","13.1511","0.0015","90","","96.888","0.002","90","","711.52","0.14","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C30 H52 O4 -","2","1","","Ota, Koichiro; Yamazaki, Ikuma; Saigoku, Takahiro; Fukui, Mei; Miyata, Tomoki; Kamaike, Kazuo; Shirahata, Tatsuya; Mizuno, Fumi; Asada, Yoshihisa; Hirotani, Masao; Ino, Chieko; Yoshikawa, Takafumi; Kobayashi, Yoshinori; Miyaoka, Hiroaki","Phellilane L, Sesquiterpene Metabolite of Phellinus linteus: Isolation, Structure Elucidation, and Asymmetric Total Synthesis.","The Journal of organic chemistry","2017","82","23","12377","12385","10.1021/acs.joc.7b02141","","","0.71073","MoKα","","0.0375","0.0349","","","0.0799","0.0817","","","","","","1.061","","","","has coordinates","204858","2020-10-21","18:00:00",""
"4033122","7.7181","0.0004","7.1084","0.0004","26.189","0.0015","90","","98.083","0.001","90","","1422.54","0.14","90","","90","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H26 O2 -","- C15 H26 O2 -","- C60 H104 O8 -","4","2","","Ota, Koichiro; Yamazaki, Ikuma; Saigoku, Takahiro; Fukui, Mei; Miyata, Tomoki; Kamaike, Kazuo; Shirahata, Tatsuya; Mizuno, Fumi; Asada, Yoshihisa; Hirotani, Masao; Ino, Chieko; Yoshikawa, Takafumi; Kobayashi, Yoshinori; Miyaoka, Hiroaki","Phellilane L, Sesquiterpene Metabolite of Phellinus linteus: Isolation, Structure Elucidation, and Asymmetric Total Synthesis.","The Journal of organic chemistry","2017","82","23","12377","12385","10.1021/acs.joc.7b02141","","","0.71073","MoKα","","0.0421","0.0348","","","0.0829","0.087","","","","","","1.036","","","","has coordinates","204858","2020-10-21","18:00:00",""
"4033123","8.8336","0.0001","17.8733","0.0002","9.143","0.0001","90","","111.478","0.001","90","","1343.31","0.03","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","K1250","","","- C17 H14 N2 O3 -","- C17 H14 N2 O3 -","- C68 H56 N8 O12 -","4","1","","Takagi, Koji; Ito, Kaede; Yamada, Yoshihiro; Nakashima, Takuya; Fukuda, Ryoichi; Ehara, Masahiro; Masu, Hyuma","Synthesis and Optical Properties of Excited-State Intramolecular Proton Transfer Active π-Conjugated Benzimidazole Compounds: Influence of Structural Rigidification by Ring Fusion.","The Journal of organic chemistry","2017","82","23","12173","12180","10.1021/acs.joc.7b01967","","","1.54178","CuKα","","0.0352","0.0335","","","0.0917","0.0932","","","","","","1.068","","","","has coordinates","204860","2020-10-21","18:00:00",""
"4033124","4.9539","0.00008","21.3695","0.0003","11.9647","0.0002","90","","98.6035","0.001","90","","1252.36","0.03","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","C-dash","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Takagi, Koji; Ito, Kaede; Yamada, Yoshihiro; Nakashima, Takuya; Fukuda, Ryoichi; Ehara, Masahiro; Masu, Hyuma","Synthesis and Optical Properties of Excited-State Intramolecular Proton Transfer Active π-Conjugated Benzimidazole Compounds: Influence of Structural Rigidification by Ring Fusion.","The Journal of organic chemistry","2017","82","23","12173","12180","10.1021/acs.joc.7b01967","","","1.54178","CuKα","","0.0353","0.0336","","","0.0905","0.0923","","","","","","1.047","","","","has coordinates","204860","2020-10-21","18:00:00",""
"4033126","9.4609","0.0005","9.552","0.0004","12.1087","0.0005","90","","89.67","0.004","90","","1094.25","0.09","293","2","293.15","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H24 N2 O8 S2 -","- C18 H24 N2 O8 S2 -","- C36 H48 N4 O16 S4 -","2","1","","Wang, Zhi-Peng; Li, Zi-Rui; Wu, Qi; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Enantioselective Synthesis of Alkylthioetherpyrrolidine Derivatives via [3+2] Cycloaddition of α-Thioacrylates with Isocyanoacetates.","The Journal of organic chemistry","2017","82","23","12869","12876","10.1021/acs.joc.7b02266","","x-ray","0.71073","MoKα","","0.0513","0.0438","","","0.1019","0.109","","","","","","1.037","","","","has coordinates","204829","2020-10-21","18:00:00",""
"4033127","7.2342","0.0002","7.6993","0.0002","34.2572","0.0007","90","","90","","90","","1908.07","0.08","298","2","298","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H15 Cl N2 O6 -","- C21 H15 Cl N2 O6 -","- C84 H60 Cl4 N8 O24 -","4","1","","Wang, Zhi-Peng; Li, Zi-Rui; Wu, Qi; Peng, Xiao-Jiao; Shao, Pan-Lin; He, Yun","Enantioselective Synthesis of Alkylthioetherpyrrolidine Derivatives via [3+2] Cycloaddition of α-Thioacrylates with Isocyanoacetates.","The Journal of organic chemistry","2017","82","23","12869","12876","10.1021/acs.joc.7b02266","","","0.71073","MoKα","","0.0614","0.0457","","","0.091","0.0965","","","","","","1.091","","","","has coordinates","204829","2020-10-21","18:00:00",""
"4033128","12.1792","0.0012","12.9193","0.0013","20.73","0.002","78.567","0.002","85.489","0.002","69.326","0.002","2991.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17.33 Br O4 S -","- C22 H17.3333 Br O4 S -","- C132 H104 Br6 O24 S6 -","6","3","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.096","0.051","","","0.1196","0.1389","","","","","","1.024","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033129","9.3081","0.0005","10.4852","0.0005","11.7136","0.0006","73.869","0.002","81.276","0.002","68.067","0.002","1017.25","0.09","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C24 H22 O4 S -","- C24 H22 O4 S -","- C48 H44 O8 S2 -","2","2","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0442","0.0434","","","0.1219","0.1229","","","","","","1.025","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033130","13.5515","0.001","7.0685","0.0006","20.9049","0.0016","90","","103.256","0.004","90","","1949.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H21 N O6 S -","- C22 H21 N O6 S -","- C88 H84 N4 O24 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0412","0.0344","","","0.0824","0.0862","","","","","","1.044","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033131","17.0858","0.0017","7.1245","0.0008","16.5916","0.0017","90","","96.18","0.002","90","","2007.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 O5 S -","- C23 H24 O5 S -","- C92 H96 O20 S4 -","4","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.0443","0.0354","","","0.0867","0.0922","","","","","","1.034","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033132","8.2965","0.0006","10.5328","0.0008","10.7598","0.0008","97.171","0.002","100.4","0.002","104.731","0.002","879.88","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H16 O5 S -","- C21 H16 O5 S -","- C42 H32 O10 S2 -","2","1","","Chang, Meng-Yang; Chen, Han-Yu; Chen, Yu-Hsin","Synthesis of 2-Aryl-3-sulfonylchromans via Knoevenagel Condensation and Reduction Protocol.","The Journal of organic chemistry","2017","82","23","12631","12639","10.1021/acs.joc.7b02392","","","0.71073","MoKα","","0.04","0.0341","","","0.0798","0.0831","","","","","","1.054","","","","has coordinates","204843","2020-10-21","18:00:00",""
"4033133","11.495","0.002","17.271","0.004","12.383","0.003","90","","101.31","0.03","90","","2410.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O7 -","- C25 H27 N O7 -","- C100 H108 N4 O28 -","4","1","","Huang, Zhusheng; Bao, Yishu; Zhang, Yu; Yang, Fulai; Lu, Tao; Zhou, Qingfa","Hydroxy-Assisted Regio- and Stereoselective Synthesis of Functionalized 4-Methylenepyrrolidine Derivatives via Phosphine-Catalyzed [3 + 2] Cycloaddition of Allenoates with o-Hydroxyaryl Azomethine Ylides.","The Journal of organic chemistry","2017","82","23","12726","12734","10.1021/acs.joc.7b02560","","","0.71073","MoKα","","0.422","0.1642","","","0.2729","0.3796","","","","","","1.191","","","","has coordinates","204854","2020-10-21","18:00:00",""
"4033134","11.1968","0.0009","11.258","0.001","12.7572","0.0011","93.18","0.004","100.48","0.004","98.749","0.004","1557.1","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H19 N O6 -","- C15 H19 N O6 -","- C60 H76 N4 O24 -","4","2","","Farren-Dai, Marco; Thompson, John R.; Bernardi, Anna; Colombo, Cinzia; Bennet, Andrew J.","Observation of a Tricyclic[4.1.0.02,4]heptane During a Michael Addition-Ring Closure Reaction and a Computational Study on Its Mechanism of Formation.","The Journal of organic chemistry","2017","82","23","12511","12519","10.1021/acs.joc.7b02218","","","0.71073","MoKα","","0.0617","0.0527","","","0.1492","0.1576","","","","","","1.061","","","","has coordinates,has disorder","204852","2020-10-21","18:00:00",""
"4033135","5.3586","0.0011","17.181","0.003","24.086","0.005","90","","90","","90","","2217.5","0.8","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C96 H144 O24 -","8","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0897","0.0516","","","0.1166","0.138","","","","","","1.023","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033136","5.2724","0.0003","12.5941","0.0006","19.4644","0.001","76.207","0.001","85.49","0.002","85.984","0.002","1249.54","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","2","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0572","0.0459","","","0.1152","0.1227","","","","","","1.04","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033137","5.1885","0.0012","8.975","0.002","25.944","0.006","90","","90","","90","","1208.1","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H20 O3 -","- C13 H20 O3 -","- C52 H80 O12 -","4","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0484","0.0405","","","0.0901","0.0952","","","","","","1.025","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033138","5.222","0.003","15.414","0.009","16.654","0.009","90","","90","","90","","1340.5","1.3","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.039","0.0365","","","0.0958","0.0985","","","","","","1.067","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033139","7.142","0.002","11.87","0.004","16.292","0.006","107.677","0.008","90.937","0.005","100.663","0.007","1289.3","0.7","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O3 -","- C14 H22 O3 -","- C56 H88 O12 -","4","2","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.0509","0.0378","","","0.0879","0.0957","","","","","","1.034","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033140","7.1832","0.0018","8.55","0.002","9.308","0.002","104.927","0.003","105.219","0.003","98.265","0.004","519.1","0.2","101","2","101","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Riedel, Sibylle; Maichle-Mössmer, Cäcilia; Maier, Martin E.","Intramolecular Diels-Alder Reactions of Tethered Enoate Substituted Furans Induced by Dialkylaluminum Chloride.","The Journal of organic chemistry","2017","82","23","12798","12805","10.1021/acs.joc.7b02117","","","0.71073","MoKα","","0.048","0.0409","","","0.1107","0.1178","","","","","","1.059","","","","has coordinates","204825","2020-10-21","18:00:00",""
"4033141","11.6324","0.0006","26.0858","0.0014","6.4645","0.0004","90","","90","","90","","1961.59","0.19","298","2","298","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C15 H23 Cl3 N2 O3 -","- C15 H23 Cl3 N2 O3 -","- C60 H92 Cl12 N8 O12 -","4","1","","Martinez-Alsina, Luis A; Murray, John C.; Buzon, Leanne M.; Bundesmann, Mark W.; Young, Joseph M.; O'Neill, Brian T","Spiropiperidine Sultam and Lactam Templates: Diastereoselective Overman Rearrangement and Metathesis followed by NH Arylation.","The Journal of organic chemistry","2017","82","23","12246","12256","10.1021/acs.joc.7b02096","","","1.54178","CuKα","","0.0858","0.0812","","","0.2214","0.2256","","","","","","1.133","","","","has coordinates","204838","2020-10-21","18:00:00",""
"4033142","24.862","0.001","8.9677","0.0004","19.6735","0.0005","90","","97.685","0.002","90","","4346.9","0.3","200","","200","","","","","","","","local","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H31 N O2 S Si -","- C21 H31 N O2 S Si -","- C168 H248 N8 O16 S8 Si8 -","8","1","","Nugent, Jeremy; Matoušová, Eliška; Banwell, Martin G.; Willis, Anthony C.","The Palladium-Catalyzed Intramolecular Alder-Ene Reactions of O- and N-Linked 1,6-Enynes Incorporating Triethylsilyl Capping Groups.","The Journal of organic chemistry","2017","82","23","12569","12589","10.1021/acs.joc.7b02355","","","0.71073","MoKα","","0.0675","0.048","","0.1235","0.1128","0.1235","","","","","","0.9878","","","","has coordinates","204839","2020-10-21","18:00:00",""
"4033147","16.4621","0.0008","5.519","0.0003","24.511","0.0013","90","","90","","90","","2226.9","0.2","93","","93","","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H23 N O5 S2 -","- C25 H23 N O5 S2 -","- C100 H92 N4 O20 S8 -","4","1","","Fukata, Yukihiro; Yao, Koichi; Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric Net Cycloaddition for Access to Diverse Substituted 1,5-Benzothiazepines.","The Journal of organic chemistry","2017","82","23","12655","12668","10.1021/acs.joc.7b02451","","","1.54187","CuKα","","0.0705","0.0496","","","0.111","0.1386","","","","","","1.196","","","","has coordinates","204832","2020-10-21","18:00:00",""
"4033148","7.9922","0.0008","11.5964","0.0012","21.983","0.002","90","","90","","90","","2037.4","0.3","293","","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S2 -","- C22 H19 N O3 S2 -","- C88 H76 N4 O12 S8 -","4","1","","Fukata, Yukihiro; Yao, Koichi; Miyaji, Ryota; Asano, Keisuke; Matsubara, Seijiro","Asymmetric Net Cycloaddition for Access to Diverse Substituted 1,5-Benzothiazepines.","The Journal of organic chemistry","2017","82","23","12655","12668","10.1021/acs.joc.7b02451","","","0.71075","MoKα","","","0.0439","","","","0.1008","","","","","","1.058","","","","has coordinates","204832","2020-10-21","18:00:00",""
"4033149","8.7104","0.0003","10.2793","0.0003","13.7385","0.0004","106.769","0.003","108.072","0.003","93.497","0.003","1104.28","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H20 Br N O5 -","- C27 H20 Br N O5 -","- C54 H40 Br2 N2 O10 -","2","1","","Sivasankara, Chenikkayala; Satham, Lakshminarayana; Namboothiri, Irishi N. N.","One-Pot Construction of Functionalized Spiro-dihydronaphthoquinone-oxindoles via Hauser-Kraus Annulation of Sulfonylphthalide with 3-Alkylideneoxindoles.","The Journal of organic chemistry","2017","82","23","12939","12944","10.1021/acs.joc.7b02656","","","0.71073","MoKα","","0.0342","0.0309","","","0.077","0.0787","","","","","","1.062","","","","has coordinates","204833","2020-10-21","18:00:00",""
"4033150","9.1293","0.0011","11.8856","0.0016","13.6282","0.0018","90","","97.693","0.004","90","","1465.4","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","methylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4(methylamino)-3-(4-nitrobenzoyl)2-oxobut-3-enoic acid ethyl ester","","- C14 H14 N2 O6 -","- C14 H14 N2 O6 -","- C56 H56 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1246","0.0766","","","0.1313","0.165","","","","","","0.997","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033151","12.1528","0.0008","16.0299","0.001","8.9727","0.0005","90","","97.678","0.002","90","","1732.28","0.18","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","butylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(butylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1331","0.0667","","","0.115","0.1372","","","","","","1.021","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033152","11.0033","0.001","11.9445","0.001","14.1463","0.0011","90","","91.849","0.003","90","","1858.3","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","benzylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(benzylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C20 H18 N2 O6 -","- C20 H18 N2 O6 -","- C80 H72 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1423","0.0592","","","0.1353","0.1909","","","","","","0.985","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033153","14.1028","0.0003","11.5412","0.0003","10.4124","0.0002","90","","98.178","0.001","90","","1677.52","0.07","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","isopropylamino nitrobenzoyl oxobut enoic acid ethyl ester","(Z)-4-(isopropylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C16 H18 N2 O6 -","- C16 H18 N2 O6 -","- C64 H72 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","1.54178","CuKα","","0.0591","0.0547","","","0.1511","0.1557","","","","","","1.039","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033154","8.7087","0.0013","11.9143","0.0018","17.31","0.003","90","","97.997","0.013","90","","1778.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","(z)-4-(tert-butylamino)-3-(4-nitrobenzoyl)-2-oxobut-3-enoic acid ethyl ester","","","- C17 H20 N2 O6 -","- C17 H20 N2 O6 -","- C68 H80 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","1.54178","CuKα","","0.0592","0.0493","","","0.1314","0.1416","","","","","","1.056","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033155","11.951","0.005","7.561","0.003","20.015","0.008","90","","99.777","0.01","90","","1782.3","1.3","303","2","303","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(4-nitrobenzoyl)-2-oxo-4-(phenylamino)but-3-enoic acid e","","","- C19 H16 N2 O6 -","- C19 H16 N2 O6 -","- C76 H64 N8 O24 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.0927","0.0686","","","0.173","0.1891","","","","","","1.029","","","","has coordinates,has disorder","204837","2020-10-21","18:00:00",""
"4033156","30.378","0.006","6.892","0.002","17.711","0.004","90","0.03","102.59","0.03","90","0.03","3618.9","1.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","methoxypehnyl amino nitrobenzoyl oxobut enoic acid ethyl","","","- C20 H18 N2 O7 -","- C20 H18 N2 O7 -","- C160 H144 N16 O56 -","8","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.103","0.0594","","","0.1674","0.2425","","","","","","1.067","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033157","10.8332","0.0007","10.336","0.0007","15.4805","0.001","90","","99.872","0.002","90","","1707.72","0.19","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ter-butylamino methoxybenzoyl oxobut enoic acid ethyl est","(Z)-4-(ter-butylamino)-3-(4-methoxybenzoyl)-2-oxobut-3-enoic acid ethyl ester","","- C18 H23 N O5 -","- C18 H23 N O5 -","- C72 H92 N4 O20 -","4","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.0928","0.0506","","","0.0972","0.1105","","","","","","1.033","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033158","27.51","0.02","7.656","0.008","18.984","0.015","90","","119.4","0.02","90","","3483","5","299","2","299","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","3-carboxyehyl-4-formyl-5-(4-nitrophenyl)1-phenyl-1H-pyrazol","3-carboxyehyl-4-formyl-5-(4-nitrophenyl)1-phenyl-1H-pyrazol","","- C19 H15 N3 O5 -","- C19 H15 N3 O5 -","- C152 H120 N24 O40 -","8","1","","da Silva, Michael J. V.; Poletto, Julia; Jacomini, Andrey P.; Pianoski, Karlos E.; Gonçalves, Davana S; Ribeiro, Gessica M.; de S Melo, Samara M; Back, Davi F.; Moura, Sidnei; Rosa, Fernanda A.","Unconventional Method for Synthesis of 3-Carboxyethyl-4-formyl(hydroxy)-5-aryl-N-arylpyrazoles.","The Journal of organic chemistry","2017","82","23","12590","12602","10.1021/acs.joc.7b02361","","","0.71073","MoKα","","0.1367","0.0631","","","0.1331","0.1599","","","","","","1.008","","","","has coordinates","204837","2020-10-21","18:00:00",""
"4033159","7.0436","0.0008","16.3407","0.0015","9.9285","0.0011","90","","93.145","0.008","90","","1141","0.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H22 N4 -","- C32 H22 N4 -","- C64 H44 N8 -","2","0.5","","Bornhof, Anna-Bea; Xiong, Ruisheng; Borbas, K. Eszter","Rational Synthesis of 2-Bromoporphyrins and 2,12-Dibromoporphyrins.","The Journal of organic chemistry","2017","82","23","12908","12913","10.1021/acs.joc.7b02404","","","0.71073","MoKα","","0.1603","0.0526","","","0.1009","0.1426","","","","","","1.011","","","","has coordinates","204842","2020-10-21","18:00:00",""
"4033160","9.558","0.003","12.696","0.004","12.822","0.004","118.63","0.004","92.463","0.004","93.918","0.005","1357.4","0.7","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H29 Br N2 O5 -","- C32 H29 Br N2 O5 -","- C64 H58 Br2 N4 O10 -","2","1","","Mori-Quiroz, Luis M; Dekarske, Madeline M.; Prinkki, Austin B.; Clift, Michael D.","Exploiting Alkylquinone Tautomerization for the Total Synthesis of Calothrixin A and B.","The Journal of organic chemistry","2017","82","23","12257","12266","10.1021/acs.joc.7b02101","","","0.71073","MoKα","","0.0637","0.0413","","","0.1128","0.1215","","","","","","1.063","","","","has coordinates","204847","2020-10-21","18:00:00",""
"4033161","12.7122","0.0002","13.1087","0.0002","21.4412","0.0003","73.575","0.001","88.091","0.001","61.492","0.001","2989.64","0.09","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C70 H62 Br N3 O5 P2 Pd -","- C70 H62 Br N3 O5 P2 Pd -","- C140 H124 Br2 N6 O10 P4 Pd2 -","2","1","","Mori-Quiroz, Luis M; Dekarske, Madeline M.; Prinkki, Austin B.; Clift, Michael D.","Exploiting Alkylquinone Tautomerization for the Total Synthesis of Calothrixin A and B.","The Journal of organic chemistry","2017","82","23","12257","12266","10.1021/acs.joc.7b02101","","","1.54178","CuKα","","0.0338","0.0324","","","0.0854","0.0865","","","","","","1.032","","","","has coordinates","204847","2020-10-21","18:00:00",""
"4033162","4.9054","0.0004","30.944","0.002","11.0135","0.0008","90","","94.3203","0.0013","90","","1667","0.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H20 O2 -","- C23 H20 O2 -","- C92 H80 O8 -","4","1","","Hamal, Khagendra B.; Chalifoux, Wesley A.","One-Pot Synthesis of α-Carbonyl Bicyclic Furans via a Sequential Diels-Alder/5-Exo-Dig Cyclization/Oxidation Reaction.","The Journal of organic chemistry","2017","82","23","12920","12927","10.1021/acs.joc.7b02479","","","0.71073","MoKα","","0.0716","0.0581","","","0.1505","0.1627","","","","","","0.856","","","","has coordinates","204850","2020-10-21","18:00:00",""
"4033163","8.1156","0.0007","11.1455","0.001","11.5815","0.0009","90.642","0.007","105.03","0.007","107.641","0.008","959.56","0.15","293","2","293.15","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl N2 O2 S2 -","- C20 H17 Cl N2 O2 S2 -","- C40 H34 Cl2 N4 O4 S4 -","2","1","","Qi, Jie; Wang, Zaibin; Lang, Bo; Lu, Ping; Wang, Yanguang","TfOH-Catalyzed Reaction between 3-Diazoindolin-2-imines and Electron-Rich Arenes: Access to 3-Aryl-2-aminoindoles.","The Journal of organic chemistry","2017","82","23","12640","12646","10.1021/acs.joc.7b02423","","","0.71073","MoKα","","0.0666","0.0503","","","0.124","0.1386","","","","","","1.044","","","","has coordinates","204851","2020-10-21","18:00:00",""
"4033164","16.652","0.0008","19.7591","0.0006","20.6578","0.0011","90","","112.774","0.006","90","","6267.1","0.6","120","1","120","1","","","","","","","","5","P 1 21/c 1","-P 2yn","14","","","","- C48 H24 F14 N4 S4 -","- C48 H24 F14 N4 S4 -","- C288 H144 F84 N24 S24 -","6","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.1595","0.0758","","","0.1728","0.2277","","","","","","0.966","","","","has coordinates,has disorder","204855","2020-10-21","18:00:00",""
"4033165","15.3304","0.0003","17.3728","0.0004","21.0398","0.0004","107.553","0.0018","100.575","0.0016","111.083","0.0018","4708.9","0.2","120","1","120","1","","","","","","","","5","P -1","-P 1","2","","","","- C68 H64 F14 N4 S4 -","- C68 H64 F14 N4 S4 -","- C204 H192 F42 N12 S12 -","3","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.0751","0.0533","","","0.1368","0.1507","","","","","","1.024","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033166","16.1364","0.0003","5.19816","0.00007","26.6969","0.0005","90","","98.5684","0.0017","90","","2214.33","0.07","120","1","120","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H32 F14 N4 O2 S4 -","- C52 H32 F14 N4 O2 S4 -","- C104 H64 F28 N8 O4 S8 -","2","0.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.0416","0.0403","","","0.0939","0.0946","","","","","","1.123","","","","has coordinates,has disorder","204855","2020-10-21","18:00:00",""
"4033167","15.2196","0.0007","15.3694","0.0005","24.0731","0.0006","101.545","0.002","102.351","0.003","105.027","0.003","5114","0.3","120","1","120","1","","","","","","","","7","P -1","-P 1","2","","","","- C44.5 H8.75 Br8 Cl2.25 F14 N4 S4 -","- C44.5 H8.75 Br8 Cl2.25 F14 N4 S4 -","- C178 H35 Br32 Cl9 F56 N16 S16 -","4","2","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","1.54184","CuKα","","0.1579","0.0783","","","0.1761","0.2191","","","","","","1.019","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033168","15.36041","0.00017","25.7224","0.0002","20.8946","0.0002","90","","110.872","0.0013","90","","7713.84","0.14","120","1","120","1","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47.33 H16 Br8 F14 N4 S4 -","- C47.3333 H16 Br8 F14 N4 S4 -","- C284 H96 Br48 F84 N24 S24 -","6","1.5","","Hahn, Lena; Hermannsdorfer, André; Günther, Benjamin; Wesp, Tobias; Bühler, Bastian; Zschieschang, Ute; Wadepohl, Hubert; Klauk, Hagen; Gade, Lutz H.","(Oligo-)Thiophene Functionalized Tetraazaperopyrenes: Donor-Acceptor Dyes and Ambipolar Organic Semiconductors.","The Journal of organic chemistry","2017","82","23","12492","12502","10.1021/acs.joc.7b02286","","x-ray","0.71073","MoKα","","0.05","0.0369","","","0.084","0.0894","","","","","","1.022","","","","has coordinates","204855","2020-10-21","18:00:00",""
"4033169","8.954","0.006","30.616","0.017","10.213","0.007","90","","109.783","0.016","90","","2635","3","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25.25 H28.5 Cl0.5 N2 O7 -","- C25.25 H28.5 Cl0.5 N2 O7 -","- C101 H114 Cl2 N8 O28 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","1.54187","CuKα","","0.2097","0.1909","","","0.4314","0.4524","","","","","","1.628","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033170","7.23","0.006","14.007","0.012","24.193","0.018","90","","97.842","0.012","90","","2427","3","173","","173","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 N2 O7 -","- C25 H28 N2 O7 -","- C100 H112 N8 O28 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","1.54187","CuKα","","0.0605","0.0457","","","0.1132","0.1247","","","","","","0.952","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033171","18.721","0.012","18.189","0.008","30.942","0.016","90","","99.292","0.012","90","","10398","10","93","","93","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C27 H30 N2 O9 -","- C27 H30 N2 O9 -","- C432 H480 N32 O144 -","16","4","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.202","0.1548","","","0.3752","0.4401","","","","","","1.176","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033172","14.061","0.003","12.857","0.002","14.52","0.003","90","","109.008","0.005","90","","2481.8","0.8","93","","93","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O7 -","- C27 H33 N O7 -","- C108 H132 N4 O28 -","4","1","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.0508","0.0434","","","0.1137","0.1199","","","","","","1.032","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033173","10.3698","0.0015","11.4667","0.0012","12.0264","0.0011","65.754","0.008","80.975","0.012","85.855","0.012","1287.7","0.3","93","","93","","","","","","","","","5","P -1","-P 1","2","","","","- C11.25 H19.5 Cl0.5 N O4 -","- C11.25 H19.5 Cl0.5 N O4 -","- C45 H78 Cl2 N4 O16 -","4","2","","Bulman Page, Philip C.; Goodyear, Ross L.; Horton, Alexandra E.; Chan, Yohan; Karim, Rehana; O'Connell, Maria A; Hamilton, Christopher; Slawin, Alexandra M. Z.; Buckley, Benjamin R.; Allin, Steven M.","Formal Total Synthesis of (+)-C9-Deoxyomuralide from l-Leucine Using a Double Sacrificial Chirality Transfer Approach.","The Journal of organic chemistry","2017","82","23","12209","12223","10.1021/acs.joc.7b02078","","","0.71075","MoKα","","0.0695","0.0616","","","0.1936","0.2001","","","","","","1.09","","","","has coordinates","204856","2020-10-21","18:00:00",""
"4033174","12.1335","0.0007","9.0731","0.0004","13.4839","0.0007","90","","109.111","0.006","90","","1402.61","0.14","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 N O -","- C19 H13 N O -","- C76 H52 N4 O4 -","4","1","","Dhiman, Ankit Kumar; Kumar, Rakesh; Kumar, Rakesh; Sharma, Upendra","Metal-Free Synthesis of 2-Substituted 3-(2-Hydroxyaryl)quinolines and 4-(2-Hydroxyaryl)acridines via Benzyne Chemistry.","The Journal of organic chemistry","2017","82","23","12307","12317","10.1021/acs.joc.7b02149","","x-ray","1.54184","CuKα","","0.0562","0.0497","","","0.1334","0.1436","","","","","","1.053","","","","has coordinates","204859","2020-10-21","18:00:00",""
"4033175","10.0379","0.0013","10.2812","0.0013","10.6299","0.0013","73.378","0.011","83.687","0.01","80.048","0.011","1033.2","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N3 O4 -","- C23 H21 N3 O4 -","- C46 H42 N6 O8 -","2","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.0947","0.0626","","","0.1581","0.1809","","","","","","1.072","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033176","7.1294","0.0007","32.835","0.003","10.2161","0.0009","90","","96.947","0.009","90","","2374","0.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N4 O4 -","- C26 H25 N4 O4 -","- C104 H100 N16 O16 -","4","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.07","0.0602","","","0.1563","0.1635","","","","","","0.997","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033177","7.092","0.0015","34.99","0.008","9.922","0.003","90","","98.12","0.03","90","","2437.5","1.1","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 Cl N4 O4 -","- C26 H25 Cl N4 O4 -","- C104 H100 Cl4 N16 O16 -","4","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.118","0.0906","","","0.233","0.2541","","","","","","1.027","","","","has coordinates","204861","2020-10-21","18:00:00",""
"4033178","16.13","0.002","17.057","0.003","15.338","0.002","90","","106.066","0.014","90","","4055.1","1.1","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 Cl N3 O3 -","- C23 H18 Cl N3 O3 -","- C184 H144 Cl8 N24 O24 -","8","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.0696","0.0558","","","0.146","0.1586","","","","","","1.093","","","","has coordinates,has disorder","204861","2020-10-21","18:00:00",""
"4033179","10.853","0.0015","12.0931","0.0016","12.7462","0.0012","111.386","0.01","93.203","0.01","111.842","0.013","1409.9","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 F N4 O4 -","- C31 H27 F N4 O4 -","- C62 H54 F2 N8 O8 -","2","1","","Charris-Molina, Andrés; Castillo, Juan-Carlos; Macías, Mario; Portilla, Jaime","One-Step Synthesis of Fully Functionalized Pyrazolo[3,4-b]pyridines via Isobenzofuranone Ring Opening.","The Journal of organic chemistry","2017","82","23","12674","12681","10.1021/acs.joc.7b02471","","","0.71073","MoKα","","0.104","0.0736","","","0.2065","0.2348","","","","","","1.018","","","","has coordinates,has disorder","204861","2020-10-21","18:00:00",""
"4033180","10.8079","0.0006","15.5573","0.0009","14.4369","0.0009","90","","94.828","0.001","90","","2418.8","0.2","85","2","85","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 B N3 O2 S -","- C24 H38 B N3 O2 S -","- C96 H152 B4 N12 O8 S4 -","4","1","","Rarig, Robert-André F; Nelson, John M.; Vedejs, Edwin","Synthesis of a Nonracemic C2-Symmetric Tetrahydro-1,4-azaborine and Evaluation of Hydroboration Enantioselectivity.","The Journal of organic chemistry","2017","82","23","12757","12762","10.1021/acs.joc.7b01904","","","0.71073","MoKα","","0.0681","0.0608","","","0.1589","0.1652","","","","","","1.025","","","","has coordinates","204865","2020-10-21","18:00:00",""
"4033181","11.3384","0.0004","11.3384","0.0004","17.9222","0.0011","90","","90","","90","","2304.07","0.18","85","2","85","2","","","","","","","","6","P 41","P 4w","76","","","","- C20 H33 B N2 O4 S -","- C20 H33 B N2 O4 S -","- C80 H132 B4 N8 O16 S4 -","4","1","","Rarig, Robert-André F; Nelson, John M.; Vedejs, Edwin","Synthesis of a Nonracemic C2-Symmetric Tetrahydro-1,4-azaborine and Evaluation of Hydroboration Enantioselectivity.","The Journal of organic chemistry","2017","82","23","12757","12762","10.1021/acs.joc.7b01904","","","0.71073","MoKα","","0.037","0.0356","","","0.096","0.0975","","","","","","1.046","","","","has coordinates","204865","2020-10-21","18:00:00",""
"4033182","7.6936","0.0013","7.8268","0.0014","13.667","0.002","93.177","0.005","94.183","0.004","119.259","0.004","712.1","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H18 O2 S -","- C17 H18 O2 S -","- C34 H36 O4 S2 -","2","1","","Zou, Liang-Hua; Zhao, Cong; Li, Ping-Gui; Wang, Ying; Li, Jie","Transition-Metal-Free C-S Bond Formation: Synthesis of Polysubstituted Diaryl Sulfides and α-Thioarylcarbonyl Compounds.","The Journal of organic chemistry","2017","82","23","12892","12898","10.1021/acs.joc.7b02384","","","0.71073","MoKα","","0.0494","0.0427","","","0.1155","0.1199","","","","","","1.079","","","","has coordinates","204867","2020-10-21","18:00:00",""
"4033183","10.094","0.0003","10.1679","0.0003","12.6813","0.0003","81.8483","0.0013","72.4104","0.0012","71.5178","0.0011","1175.17","0.06","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H25 F3 N2 O2 -","- C28 H25 F3 N2 O2 -","- C56 H50 F6 N4 O4 -","2","1","","Pandey, Vinay Kumar; Anbarasan, Pazhamalai","One-Pot Trifluoromethylative Functionalization of Amides: Synthesis of Trifluoromethylated Bis(indolyl)arylmethanes and Triarylmethanes.","The Journal of organic chemistry","2017","82","23","12328","12336","10.1021/acs.joc.7b02161","","x-ray","0.71073","MoKα","","0.0751","0.0566","","","0.1669","0.1846","","","","","","1.042","","","","has coordinates","204869","2020-10-21","18:00:00",""
"4033184","12.0569","0.0008","4.7415","0.0003","13.0804","0.0009","90","","111.418","0.005","90","","696.14","0.08","130","2","130","2","","","","","","","","2","C 1 2 1","C 2y","5","","'Compound 2a'","","- C20 H18 -","- C20 H18 -","- C40 H36 -","2","0.5","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","1.54178","CuKα","","0.0298","0.0279","","","0.0721","0.0732","","","","","","1.024","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033185","36.346","0.0015","36.346","0.0015","5.8926","0.0003","90","","90","","120","","6741.4","0.5","130","2","130","2","","","","","","","","2","R -3 :H","-R 3","148","","compound 7a","","- C20 H18 -","- C20 H18 -","- C360 H324 -","18","1","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","1.54178","CuKα","","0.0548","0.0415","","","0.108","0.1153","","","","","","1.044","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033186","21.865","0.0013","11.0751","0.0008","14.5182","0.001","90","","91.754","0.002","90","","3514","0.4","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","'compound [RhCl(7a)]2'","","- C41 H38 Cl4 Rh2 -","- C41 H38 Cl4 Rh2 -","- C164 H152 Cl16 Rh8 -","4","0.5","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","0.71073","MoKα","","0.0369","0.0253","","","0.0585","0.0618","","","","","","1.028","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033187","12.2875","0.0006","17.5098","0.0008","33.0426","0.0018","90","","90","","90","","7109.2","0.6","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","'compound [RhCl(2a)]2'","","- C41 H38 Cl4 Rh2 -","- C41 H38 Cl4 Rh2 -","- C328 H304 Cl32 Rh16 -","8","2","","Mühlhäuser, Tina; Savin, Alex; Frey, Wolfgang; Baro, Angelika; Schneider, Andreas J.; Döteberg, Heinz-Günter; Bauer, Florian; Köhn, Andreas; Laschat, Sabine","Role of Regioisomeric Bicyclo[3.3.0]octa-2,5-diene Ligands in Rh Catalysis: Synthesis, Structural Analysis, Theoretical Study, and Application in Asymmetric 1,2- and 1,4-Additions.","The Journal of organic chemistry","2017","82","24","13468","13480","10.1021/acs.joc.7b02601","","","0.71073","MoKα","","0.0638","0.0411","","","0.0754","0.0804","","","","","","1.008","","","","has coordinates","204805","2020-10-21","18:00:00",""
"4033188","13.4732","0.0005","14.8888","0.0006","9.621","0.0004","90","","90","","90","","1929.97","0.13","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H21 N O S -","- C25 H21 N O S -","- C100 H84 N4 O4 S4 -","4","1","","Gao, Wen-Chao; Liu, Tao; Cheng, Yu-Fei; Chang, Hong-Hong; Li, Xing; Zhou, Rong; Wei, Wen-Long; Qiao, Yan","AlCl3-Catalyzed Intramolecular Cyclization of N-Arylpropynamides with N-Sulfanylsuccinimides: Divergent Synthesis of 3-Sulfenyl Quinolin-2-ones and Azaspiro[4,5]trienones.","The Journal of organic chemistry","2017","82","24","13459","13467","10.1021/acs.joc.7b02498","","","0.71073","MoKα","","0.0664","0.0422","","","0.0832","0.0926","","","","","","1.031","","","","has coordinates","204811","2020-10-21","18:00:00",""
"4033189","14.829","0.002","7.658","0.001","16.225","0.002","90","","114.477","0.009","90","","1676.9","0.4","230","2","230","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 B N2 -","- C19 H23 B N2 -","- C76 H92 B4 N8 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.2706","0.0916","","","0.219","0.288","","","","","","1.059","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033190","21.63","0.005","10.13","0.005","7.429","0.002","90","","90","","90","","1627.8","1","230","2","230","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C18 H22 B N3 -","- C18 H22 B N3 -","- C72 H88 B4 N12 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.1766","0.0791","","","0.1621","0.2118","","","","","","1.099","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033191","8.1392","0.0005","12.5325","0.0008","17.0339","0.0012","90","","90","","90","","1737.5","0.2","230","2","230","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 B N3 -","- C20 H22 B N3 -","- C80 H88 B4 N12 -","4","1","","Watanabe, Takashi; Geib, Steven J.; Curran, Dennis P.; Taniguchi, Tsuyoshi","N-Heterocyclic Carbene Boranes are Hydrogen Donors in Masamune-Bergman Reactions of Benzo[3,4]cyclodec-3-ene-1,5-diynes.","The Journal of organic chemistry","2017","82","24","13034","13042","10.1021/acs.joc.7b01981","","","1.54178","CuKα","","0.1102","0.0553","","","0.132","0.155","","","","","","1.091","","","","has coordinates","204794","2020-10-21","18:00:00",""
"4033192","6.97","0.002","7.005","0.002","34.186","0.011","90","","90","","90","","1669.1","0.9","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 N2 O5 -","- C18 H22 N2 O5 -","- C72 H88 N8 O20 -","4","1","","Roizen, Jennifer L.; Jones, Amanda C.; Smith, Russell C.; Virgil, Scott C.; Stoltz, Brian M.","Model Studies To Access the [6,7,5,5]-Core of Ineleganolide Using Tandem Translactonization-Cope or Cyclopropanation-Cope Rearrangements as Key Steps.","The Journal of organic chemistry","2017","82","24","13051","13067","10.1021/acs.joc.7b02030","","","0.71073","MoKα","","0.1046","0.0694","","","0.1073","0.1141","","","","","","1.298","","","","has coordinates","204795","2020-10-21","18:00:00",""
"4033193","6.3211","0.0002","8.5298","0.0002","20.3965","0.0008","90","","90.395","0.001","90","","1099.71","0.06","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H24 Cl N O2 S -","- C25 H24 Cl N O2 S -","- C50 H48 Cl2 N2 O4 S2 -","2","1","","Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.","Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.","The Journal of organic chemistry","2017","82","24","13093","13108","10.1021/acs.joc.7b02146","","","0.71073","MoKα","","0.0492","0.0391","","","0.0841","0.0891","","","","","","1.047","","","","has coordinates","204796","2020-10-21","18:00:00",""
"4033194","14.1684","0.0003","9.609","0.0002","14.3695","0.0003","90","","90","","90","","1956.32","0.07","180","2","180","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C20 H24 Cl N O3 S -","- C20 H24 Cl N O3 S -","- C80 H96 Cl4 N4 O12 S4 -","4","1","","Crespin, Lorène N S; Greb, Andreas; Blakemore, David C.; Ley, Steven V.","Visible-Light-Mediated Annulation of Electron-Rich Alkenes and Nitrogen-Centered Radicals from N-Sulfonylallylamines: Construction of Chloromethylated Pyrrolidine Derivatives.","The Journal of organic chemistry","2017","82","24","13093","13108","10.1021/acs.joc.7b02146","","","1.54178","CuKα","","0.0278","0.0259","","","0.0632","0.0645","","","","","","1.049","","","","has coordinates","204796","2020-10-21","18:00:00",""
"4033195","18.844","0.003","5.5118","0.0009","12.7313","0.0016","90","","107.388","0.006","90","","1261.9","0.3","296","2","296","2","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C30 H30 O6 -","- C30 H30 O6 -","- C60 H60 O12 -","2","0.5","","Jha, Vishwajeet; Goyal, Navneet; Stevens, Cheryl K.; Stevens, Edwin; Sridhar, Jayalakshmi","Synthetic Method to Form 2,2'-Bis(naphthoquinone) Compounds.","The Journal of organic chemistry","2017","82","24","13686","13692","10.1021/acs.joc.7b02501","","","0.71073","MoKα","","0.0858","0.0717","","","0.1719","0.1771","","","","","","1.064","","","","has coordinates","204798","2020-10-21","18:00:00",""
"4033196","8.1655","0.0013","10.6003","0.0018","12.896","0.002","76.273","0.006","87.655","0.007","78.31","0.006","1061.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H19 N O8 -","- C24 H19 N O8 -","- C48 H38 N2 O16 -","2","1","","Bisht, Shweta; Peddinti, Rama Krishna","FeCl3-Mediated Domino Reaction of Benzoxazinones with Aroylmethylidene Malonates: Synthesis to Functionalized Pyrrolobenzoxazines.","The Journal of organic chemistry","2017","82","24","13617","13625","10.1021/acs.joc.7b02207","","","0.71073","MoKα","","0.049","0.0428","","","0.1187","0.124","","","","","","1.052","","","","has coordinates","204806","2020-10-21","18:00:00",""
"4033197","10.7578","0.0012","8.1502","0.0009","16.2547","0.0016","90","","103.833","0.005","90","","1383.8","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br N O3 -","- C16 H10 Br N O3 -","- C64 H40 Br4 N4 O12 -","4","1","","Wurm, Thomas; Turnbull, Ben W. H.; Ambler, Brett R.; Krische, Michael J.","Thermal Hetero-Diels-Alder Reaction of Benzocyclobutenones with Isatins To Form 2-Oxindole Spirolactones.","The Journal of organic chemistry","2017","82","24","13751","13755","10.1021/acs.joc.7b02769","","","0.71073","MoKα","","0.0626","0.044","","","0.1051","0.1145","","","","","","1.029","","","","has coordinates","204814","2020-10-21","18:00:00",""
"4033198","14.1234","0.0008","10.611","0.0012","15.8504","0.0012","90","","105.486","0.006","90","","2289.2","0.3","100.3","","100.3","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H26 F3 N O4 -","- C26 H26 F3 N O4 -","- C104 H104 F12 N4 O16 -","4","1","","Cheng, Jian; Sun, Jun; Yan, Jiekuan; Yang, Song; Zheng, Pengcheng; Jin, Zhichao; Chi, Yonggui Robin","Carbene-Catalyzed Indole 3-Methyl C(sp3)-H Bond Functionalization.","The Journal of organic chemistry","2017","82","24","13342","13347","10.1021/acs.joc.7b02436","","","0.7107","MoKα","","0.0605","0.0489","","","0.1131","0.122","","","","","","1.025","","","","has coordinates","204817","2020-10-21","18:00:00",""
"4033199","10.691","","21.5103","","14.9915","","90","","98.822","","90","","3406.76","","143","","143","","","","","","","","","7","P 1 21/m 1","-P 2yb","11","","","","- C59 H56 Cl2 F12 N4 O8 Sb2 -","- C59 H56 Cl2 F12 N4 O8 Sb2 -","- C118 H112 Cl4 F24 N8 O16 Sb4 -","2","0.5","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.1254","0.085","","","0.2052","0.2367","","","","","","1.004","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033200","25.919","0.012","25.919","0.012","11.739","0.006","90","","90","","90","","7886","7","143","","143","","","","","","","","","6","I -4","I -4","82","","","","- C120 H124 Cl44 N8 O8 Sb6 -","- C120 H96 Cl44 N8 O8 Sb6 -","- C240 H192 Cl88 N16 O16 Sb12 -","2","0.25","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.0786","0.0587","","","0.1237","0.1371","","","","","","0.909","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033201","12.216","0.002","15.614","0.003","23.054","0.004","90","","92.341","0.003","90","","4393.7","1.3","143","","143","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C53 H46 Cl2 N4 O4 -","- C53 H46 Cl2 N4 O4 -","- C212 H184 Cl8 N16 O16 -","4","1","","Sakamaki, Daisuke; Ito, Akihiro; Tsutsui, Yusuke; Seki, Shu","Tetraaza[14]- and Octaaza[18]paracyclophane: Synthesis and Characterization of Their Neutral and Cationic States.","The Journal of organic chemistry","2017","82","24","13348","13358","10.1021/acs.joc.7b02437","","","0.71075","MoKα","","0.1455","0.0778","","","0.1886","0.2234","","","","","","0.85","","","","has coordinates","204818","2020-10-21","18:00:00",""
"4033202","15.3053","0.0004","14.8181","0.0005","8.1391","0.0004","90","","96.118","0.003","90","","1835.4","0.12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H18 Cl N2 O4 -","- C20 H17 Cl N2 O4 -","- C80 H68 Cl4 N8 O16 -","4","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0723","0.0558","","","0.1223","0.1323","","","","","","1.024","","","","has coordinates,has disorder","204819","2020-10-21","18:00:00",""
"4033203","11.4731","0.0004","20.694","0.0004","11.6733","0.0004","90","","116.529","0.004","90","","2479.71","0.16","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C100 H84 Cl4 F24 N8 O16 -","4","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0505","0.038","","","0.0793","0.0848","","","","","","1.055","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033204","7.5654","0.0004","11.1449","0.0009","14.5379","0.0011","79.542","0.007","81.945","0.006","88.919","0.006","1193.49","0.15","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C50 H42 Cl2 F12 N4 O8 -","2","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.7107","MoKα","","0.0607","0.041","","","0.0798","0.091","","","","","","1.014","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033205","9.2367","0.0003","9.8868","0.0003","14.3883","0.0004","96.813","0.003","93.134","0.003","107.521","0.003","1238.47","0.07","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl F6 N2 O4 -","- C25 H21 Cl F6 N2 O4 -","- C50 H42 Cl2 F12 N4 O8 -","2","1","","Novikov, Mikhail S.; Rostovskii, Nikolai V.; Koronatov, Alexander N.; Zavyalov, Kirill V.; Zubakin, Grigory V.; Khlebnikov, Alexander F.; Starova, Galina L.","Synthesis of 1,2-Dihydropyrimidine-2-carboxylates via Regioselective Addition of Rhodium(II) Carbenoids to 2H-Azirine-2-carbaldimines.","The Journal of organic chemistry","2017","82","24","13396","13404","10.1021/acs.joc.7b02484","","","0.71073","MoKα","","0.0649","0.0528","","","0.1385","0.1464","","","","","","1.045","","","","has coordinates","204819","2020-10-21","18:00:00",""
"4033207","6.9803","0.0008","14.8048","0.0016","14.8173","0.0017","90","","90","","90","","1531.2","0.3","128","2","128","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H12 Cl N O5 -","- C18 H12 Cl N O5 -","- C72 H48 Cl4 N4 O20 -","4","1","","Zhang, Jing; Yin, Guohui; Du, Yuchao; Yang, Ziqi; Li, Yang; Chen, Ligong","Michael-Michael Addition Reactions Promoted by Secondary Amine-Thiourea: Stereocontrolled Construction of Barbiturate-Fused Tetrahydropyrano Scaffolds and Pyranocoumarins.","The Journal of organic chemistry","2017","82","24","13594","13601","10.1021/acs.joc.7b01902","","","0.71073","MoKα","","0.0232","0.0227","","","0.0618","0.062","","","","","","1.043","","","","has coordinates","204803","2020-10-21","18:00:00",""
"4033208","10.132","0.002","20.982","0.005","7.485","0.002","90","","91.647","0.007","90","","1590.6","0.7","128","2","128","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C15 H13 Cl2 N3 O5 -","- C15 H13 Cl2 N3 O5 -","- C60 H52 Cl8 N12 O20 -","4","1","","Zhang, Jing; Yin, Guohui; Du, Yuchao; Yang, Ziqi; Li, Yang; Chen, Ligong","Michael-Michael Addition Reactions Promoted by Secondary Amine-Thiourea: Stereocontrolled Construction of Barbiturate-Fused Tetrahydropyrano Scaffolds and Pyranocoumarins.","The Journal of organic chemistry","2017","82","24","13594","13601","10.1021/acs.joc.7b01902","","","0.71073","MoKα","","0.0254","0.0248","","","0.0678","0.0683","","","","","","1.046","","","","has coordinates","204803","2020-10-21","18:00:00",""
"4033209","10.3202","0.0013","15.352","0.0019","20.375","0.003","69.201","0.004","81.721","0.004","89.922","0.004","2982","0.7","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H31 Cl N2 O3 -","- C36 H31 Cl N2 O3 -","- C144 H124 Cl4 N8 O12 -","4","2","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2269","0.0832","","","0.1627","0.2106","","","","","","1.005","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033210","12.755","0.004","17.504","0.005","12.366","0.004","90","","104.956","0.011","90","","2667.4","1.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H28 N2 O3 -","- C30 H28 N2 O3 -","- C120 H112 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2485","0.1434","","","0.3515","0.3997","","","","","","1.085","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033211","10.145","0.005","12.381","0.006","13.498","0.007","75.693","0.014","83.221","0.016","85.987","0.016","1629.9","1.4","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H33 Cl N2 O3 -","- C33 H33 Cl N2 O3 -","- C66 H66 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2276","0.1388","","","0.3446","0.3919","","","","","","1.096","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033212","10.947","0.006","11.922","0.006","13.843","0.007","98.659","0.016","110.407","0.016","99.101","0.015","1630.1","1.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C70 H58 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2957","0.1096","","","0.2835","0.3591","","","","","","1.016","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033213","21.8784","0.0019","16.5957","0.0014","9.1581","0.0007","90","","90","","90","","3325.2","0.5","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C41 H33 N3 O4 -","- C41 H33 N3 O4 -","- C164 H132 N12 O16 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.136","0.0537","","","0.0915","0.1112","","","","","","1.01","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033214","12.0103","0.0008","12.0103","0.0008","43.759","0.003","90","","90","","90","","6312.1","0.7","296","2","296","2","","","","","","","","5","P 43","P 4cw","78","","","","- C40 H31 Cl N2 O2 -","- C40 H31 Cl N2 O2 -","- C320 H248 Cl8 N16 O16 -","8","2","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.2475","0.168","","","0.4082","0.4526","","","","","","1.092","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033215","8.4622","0.0007","18.6062","0.0015","22.0126","0.0017","90","","94.106","0.002","90","","3457","0.5","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H39 Cl N2 O4 -","- C39 H39 Cl N2 O4 -","- C156 H156 Cl4 N8 O16 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1302","0.0733","","","0.1993","0.2231","","","","","","1.06","","","","has coordinates,has disorder","204807","2020-10-21","18:00:00",""
"4033216","12.5051","0.0019","9.5333","0.0015","26.477","0.004","90","","100.969","0.005","90","","3098.8","0.8","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 Cl N2 O2 -","- C39 H35 Cl N2 O2 -","- C156 H140 Cl4 N8 O8 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.268","0.0772","","","0.1265","0.1536","","","","","","0.944","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033217","11.181","0.003","10.487","0.003","24.288","0.007","90","","99.83","0.01","90","","2806.1","1.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H31 Cl N2 O3 -","- C33 H31 Cl N2 O3 -","- C132 H124 Cl4 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1457","0.0652","","","0.1338","0.1616","","","","","","1.013","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033218","15.6205","0.0014","11.6653","0.0009","16.5056","0.0014","90","","90","","90","","3007.6","0.4","296","2","296","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C36 H37 Cl N2 O3 -","- C36 H37 Cl N2 O3 -","- C144 H148 Cl4 N8 O12 -","4","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1029","0.0573","","","0.1326","0.1499","","","","","","1.019","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033219","8.472","0.0004","13.9354","0.0007","14.9305","0.0007","62.4022","0.0014","77.6344","0.0015","88.9009","0.0016","1519.37","0.13","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C70 H58 Cl2 N4 O6 -","2","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.0943","0.0584","","","0.1529","0.1704","","","","","","1.027","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033220","28.176","0.015","10.794","0.004","23.96","0.009","90","","102.371","0.019","90","","7118","5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H31 Cl N2 O2 -","- C40 H31 Cl N2 O2 -","- C320 H248 Cl8 N16 O16 -","8","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1808","0.0798","","","0.2267","0.2543","","","","","","1.039","","","","has coordinates","204807","2020-10-21","18:00:00",""
"4033221","35.6802","0.0016","8.9154","0.0004","25.3738","0.0013","90","","125.393","0.0012","90","","6579.9","0.5","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H29 Cl N2 O3 -","- C35 H29 Cl N2 O3 -","- C280 H232 Cl8 N16 O24 -","8","1","","Yang, Ren-Yin; Sun, Jing; Tao, Yao; Sun, Qiu; Yan, Chao-Guo","TfOH-Catalyzed One-Pot Domino Reaction for Diastereoselective Synthesis of Polysubstituted Tetrahydrospiro[carbazole-1,3'-indoline]s.","The Journal of organic chemistry","2017","82","24","13277","13287","10.1021/acs.joc.7b02397","","","0.71073","MoKα","","0.1122","0.0643","","","0.1649","0.1883","","","","","","1.037","","","","has coordinates,has disorder","204807","2020-10-21","18:00:00",""
"4033222","7.8293","0.0016","12.489","0.003","12.762","0.003","101.18","0.03","94.22","0.03","97.69","0.03","1206.8","0.5","180","2","180","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H29 B N2 O S -","- C28 H29 B N2 O S -","- C56 H58 B2 N4 O2 S2 -","2","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0785","0.048","","","0.1155","0.1316","","","","","","1.074","","","","has coordinates","256620","2020-10-21","18:00:00",""
"4033223","7.7972","0.0004","11.7876","0.0006","12.3016","0.0007","66.098","0.003","82.745","0.004","77.286","0.004","1007.46","0.1","180","2","180","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H23 B N2 O -","- C25 H23 B N2 O -","- C50 H46 B2 N4 O2 -","2","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.1037","0.0739","","","0.2274","0.245","","","","","","1.107","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033224","8.9083","0.0003","14.5182","0.0005","21.1754","0.0007","90","","100.057","0.002","90","","2696.59","0.16","180","2","180","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C32 H29 B Cl2 N2 O -","- C32 H29 B Cl2 N2 O -","- C128 H116 B4 Cl8 N8 O4 -","4","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0785","0.0449","","","0.0952","0.1096","","","","","","1.077","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033225","8.6859","0.0002","15.3055","0.0003","15.4712","0.0003","90.457","0.001","96.07","0.001","99.711","0.001","2015.24","0.07","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 B N2 -","- C25 H23 B N2 -","- C100 H92 B4 N8 -","4","2","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0573","0.0459","","","0.1164","0.1254","","","","","","1.047","","","","has coordinates","252331","2020-10-21","18:00:00",""
"4033226","10.4394","0.0005","11.3922","0.0005","19.9876","0.001","90","","96.249","0.001","90","","2362.96","0.19","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H27 B N2 -","- C31 H27 B N2 -","- C124 H108 B4 N8 -","4","1","","Yuan, Kang; Wang, Xiang; Mellerup, Soren K.; Kozin, Igor; Wang, Suning","Spiro-BODIPYs with a Diaryl Chelate: Impact on Aggregation and Luminescence.","The Journal of organic chemistry","2017","82","24","13481","13487","10.1021/acs.joc.7b02602","","","0.71073","MoKα","","0.0569","0.0414","","","0.0919","0.1003","","","","","","1.048","","","","has coordinates","204809","2020-10-21","18:00:00",""
"4033227","11.4375","0.0003","13.0457","0.0003","21.164","0.0005","90","","102.68","0.001","90","","3080.87","0.13","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C31 H39 N3 O10 -","- C31 H39 N3 O10 -","- C124 H156 N12 O40 -","4","1","","Perkins, Jonathan C.; Wang, Xiye; Pike, Robert D.; Scheerer, Jonathan R.","Further Investigation of the Intermolecular Diels-Alder Cycloaddition for the Synthesis of Bicyclo[2.2.2]diazaoctane Alkaloids.","The Journal of organic chemistry","2017","82","24","13656","13662","10.1021/acs.joc.7b02403","","","1.54178","CuKα","","0.0537","0.05","","","0.1384","0.1425","","","","","","1.044","","","","has coordinates","204810","2020-10-21","18:00:00",""
"4033228","7.722","0.003","12.395","0.005","15.776","0.006","90","","89.933","0.006","90","","1510","1","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","0.71073","MoKα","","0.318","0.2296","","","0.558","0.5955","","","","","","2.114","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033229","7.8903","0.0001","15.974","0.0003","11.8637","0.0002","90","","100.05","0.001","90","","1472.35","0.04","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O6 -","- C19 H18 O6 -","- C76 H72 O24 -","4","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","1.54178","CuKα","","0.0373","0.0372","","","0.0935","0.0935","","","","","","1.098","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033230","7.2447","0.001","13.8888","0.0018","8.0725","0.0011","90","","101.937","0.002","90","","794.69","0.19","100","2","100","2","","","","","","","","3","P 1 n 1","P -2yac","7","","","","- C19 H20 O7 -","- C19 H20 O7 -","- C38 H40 O14 -","2","1","","Liu, Lu; Xu, Guan-Ling; Ma, Xiao-Xia; Khan, Afsar; Tan, Wen-Hong; Yang, Zhu-Ya; Zhou, Zhi-Hong","Sweritranslactones A-C: Unusual Skeleton Secoiridoid Dimers via [4 + 2] Cycloaddition from Swertiamarin.","The Journal of organic chemistry","2017","82","24","13263","13267","10.1021/acs.joc.7b02383","","","0.71073","MoKα","","0.0304","0.0293","","","0.0783","0.0794","","","","","","1.076","","","","has coordinates","204800","2020-10-21","18:00:00",""
"4033231","17.8938","0.0004","15.0422","0.0004","8.53393","0.00018","90","","90","","90","","2297.01","0.09","110","2","110","2","","","","","","","","4","P c c a","-P 2a 2ac","54","","","","- C27 H21 B S2 -","- C27 H21 B S2 -","- C108 H84 B4 S8 -","4","0.5","","Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D.","Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds.","The Journal of organic chemistry","2017","82","24","13440","13448","10.1021/acs.joc.7b02512","","","1.54178","CuKα","","0.0391","0.0337","","","0.09","0.0942","","","","","","1.048","","","","has coordinates","204802","2020-10-21","18:00:00",""
"4033232","22.1776","0.0007","22.1776","0.0007","7.4995","0.0003","90","","90","","120","","3194.42","0.19","110","2","110","2","","","","","","","","4","P -3","-P 3","147","","","","- C27 H21 B S2 -","- C27 H21 B S2 -","- C162 H126 B6 S12 -","6","1","","Messersmith, Reid E.; Yadav, Sangeeta; Siegler, Maxime A.; Ottosson, Henrik; Tovar, John D.","Benzo[b]thiophene Fusion Enhances Local Borepin Aromaticity in Polycyclic Heteroaromatic Compounds.","The Journal of organic chemistry","2017","82","24","13440","13448","10.1021/acs.joc.7b02512","","","0.71073","MoKα","","0.0559","0.0436","","","0.1085","0.1169","","","","","","1.045","","","","has coordinates","204802","2020-10-21","18:00:00",""
"4033233","8.4415","0.0003","15.246","0.0006","15.871","0.0006","95.385","0.002","95.271","0.002","96.377","0.002","2010.16","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H34 N4 O5 S3 -","- C52 H34 N2 O4 S2 -","- C104 H68 N4 O8 S4 -","2","1","","Sankar, Elumalai; Raju, Potharaju; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Synthetic Utility of Arylmethylsulfones: Annulative π-Extension of Aromatics and Hetero-aromatics Involving Pd(0)-Catalyzed Heck Coupling Reactions.","The Journal of organic chemistry","2017","82","24","13583","13593","10.1021/acs.joc.7b01813","","","0.71073","MoKα","","0.1091","0.0554","","","0.1503","0.2201","","","","","","0.787","","","","has coordinates","204820","2020-10-21","18:00:00",""
"4033234","14.6299","0.0004","14.6404","0.0004","15.5052","0.0004","66.918","0.001","68.253","0.001","71.672","0.002","2781.53","0.13","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H19 Br N2 O9 S3 -","- C30 H25 Br N O4 S3 -","- C120 H100 Br4 N4 O16 S12 -","4","2","","Sankar, Elumalai; Raju, Potharaju; Karunakaran, Jayachandran; Mohanakrishnan, Arasambattu K.","Synthetic Utility of Arylmethylsulfones: Annulative π-Extension of Aromatics and Hetero-aromatics Involving Pd(0)-Catalyzed Heck Coupling Reactions.","The Journal of organic chemistry","2017","82","24","13583","13593","10.1021/acs.joc.7b01813","","","0.71073","MoKα","","0.1671","0.0491","","","0.124","0.1911","","","","","","0.983","","","","has coordinates","253039","2020-10-21","18:00:00",""
"4033235","21.191","0.015","32.62","0.02","19.973","0.014","90","","113.248","0.007","90","","12685","15","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C92 H111 N3 O19 -","- C92 H111 N3 O19 -","- C368 H444 N12 O76 -","4","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1691","0.1341","","","0.3574","0.3784","","","","","","1.045","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033236","16.813","0.004","21.414","0.005","22.481","0.005","65.245","0.003","75.329","0.003","88.64","0.003","7079","3","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H175 N7 O25 -","- C120.004 H175.009 N7.001 O25.001 -","- C240.008 H350.018 N14.002 O50.002 -","2","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1976","0.1136","","","0.2829","0.3171","","","","","","1.07","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033237","12.148","0.003","38.603","0.008","15.251","0.003","90","","108.773","0.003","90","","6771","3","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C138 H202 N10 O26 -","- C138 H202 N10 O26 -","- C276 H404 N20 O52 -","2","0.5","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.112","0.0823","","","0.2175","0.237","","","","","","1.069","","","","has coordinates","204797","2020-10-21","18:00:00",""
"4033238","16.597","0.003","42.559","0.007","19.786","0.003","90","","102.717","0.002","90","","13633","4","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C137 H213 N11 O27 -","- C137 H213 N11 O27 -","- C548 H852 N44 O108 -","4","1","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1163","0.078","","","0.19","0.2101","","","","","","1.032","","","","has coordinates","259535","2020-12-04","06:05:01",""
"4033239","11.388","0.002","14.825","0.003","20.643","0.004","89.102","0.002","76.622","0.002","71.446","0.002","3208","1.1","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C120 H136 O26 S8 -","- C120 H136 O26 S8 -","- C120 H136 O26 S8 -","1","0.5","","Shimoyama, Daisuke; Ikeda, Toshiaki; Sekiya, Ryo; Haino, Takeharu","Synthesis and Structure of Feet-to-Feet Connected Bisresorcinarenes.","The Journal of organic chemistry","2017","82","24","13220","13230","10.1021/acs.joc.7b02301","","x-ray","0.71073","MoKα","","0.1362","0.0996","","","0.2893","0.3194","","","","","","1.192","","","","has coordinates,has disorder","204797","2020-10-21","18:00:00",""
"4033240","9.4154","0.0008","12.766","0.0012","13.1363","0.0012","90","","90","","90","","1578.9","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N O2 S -","- C14 H21 N O2 S -","- C56 H84 N4 O8 S4 -","4","1","","Reddy, Arava Amaranadha; Prasad, Kavirayani R.","Synthesis of β-Amino Ketones by Addition of Aryl Methyl Ketones to Sulfinimines: Application to the Total Synthesis of HPA-12, Norsedamine, and Sedamine.","The Journal of organic chemistry","2017","82","24","13488","13499","10.1021/acs.joc.7b02611","","","0.71073","MoKα","","0.0475","0.0355","","","0.0818","0.087","","","","","","1.07","","","","has coordinates","204813","2020-10-21","18:00:00",""
"4033241","18.9318","0.0007","9.1249","0.0003","11.0844","0.0004","90","","93.622","0.003","90","","1911.01","0.12","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 N2 O2 -","- C24 H20 N2 O2 -","- C96 H80 N8 O8 -","4","1","","Wang, Changcheng; Lai, Jialin; Chen, Cantao; Li, Xuechen; Cao, Hua","Ag-Catalyzed Tandem Three-Component Reaction toward the Synthesis of Multisubstituted Imidazoles.","The Journal of organic chemistry","2017","82","24","13740","13745","10.1021/acs.joc.7b02612","","x-ray","1.54184","CuKα","","0.1225","0.1189","","","0.3425","0.3437","","","","","","1.095","","","","has coordinates","204804","2020-10-21","18:00:00",""
"4033242","6.5977","0.0007","6.954","0.0007","13.0578","0.0013","82.254","0.008","84.013","0.008","63.46","0.01","530.42","0.1","100","2","100","2","","","","","","","","7","P 1","P 1","1","","","","- C18 H23 Cl F N O7 Si -","- C18 H23 Cl F N O7 Si -","- C18 H23 Cl F N O7 Si -","1","1","","De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F.","Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","24","13171","13178","10.1021/acs.joc.7b02245","","x-ray","0.71073","MoKα","","0.0474","0.0429","","","0.1","0.1022","","","","","","1.075","","","","has coordinates","204799","2020-10-21","18:00:00",""
"4033243","6.097","0.0003","25.7082","0.0011","7.423","0.0003","90","","110.555","0.005","90","","1089.43","0.09","100","2","100","0.1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H35 Cl O4 Si2 -","- C17 H35 Cl O4 Si2 -","- C34 H70 Cl2 O8 Si4 -","2","1","","De Schutter, Coralie; Sari, Ozkan; Coats, Steven J.; Amblard, Franck; Schinazi, Raymond F.","Synthesis of (2S)-2-Chloro-2-fluororibolactone via Stereoselective Electrophilic Fluorination.","The Journal of organic chemistry","2017","82","24","13171","13178","10.1021/acs.joc.7b02245","","x-ray","0.71073","MoKα","","0.0436","0.0391","","","0.0953","0.0969","","","","","","1.016","","","","has coordinates","204799","2020-10-21","18:00:00",""
"4033244","10.3098","0.0006","19.1132","0.0009","19.3897","0.001","90","","99.389","0.002","90","","3769.6","0.3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H20 O5 S -","- C20 H20 O5 S -","- C160 H160 O40 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0446","0.0366","","","0.0833","0.0885","","","","","","1.052","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033245","10.3973","0.0005","11.4451","0.0005","18.3533","0.0009","90","","98.29","0.001","90","","2161.19","0.18","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 O5 S -","- C26 H24 O5 S -","- C104 H96 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0382","0.0335","","","0.0844","0.0879","","","","","","1.036","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033246","24.9437","0.0014","8.7955","0.0005","11.5489","0.0006","90","","94.461","0.002","90","","2526.1","0.2","100","2","100","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C53 H48 Cl2 F2 O10 S2 -","- C53 H48 Cl2 F2 O10 S2 -","- C106 H96 Cl4 F4 O20 S4 -","2","0.5","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0444","0.0382","","","0.1098","0.1185","","","","","","1.057","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033247","11.0102","0.0003","9.1251","0.0002","11.497","0.0003","90","","91.296","0.002","90","","1154.8","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H28 O5 S -","- C28 H28 O5 S -","- C56 H56 O10 S2 -","2","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0359","0.033","","","0.0717","0.076","","","","","","1.052","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033248","12.0995","0.0007","11.0442","0.0006","18.1654","0.001","90","","100.641","0.002","90","","2385.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H28 O5 S -","- C28 H28 O5 S -","- C112 H112 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0503","0.0396","","","0.0987","0.1051","","","","","","1.047","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033249","9.262","0.0005","29.1519","0.0015","10.0839","0.0005","90","","92.582","0.001","90","","2719.9","0.2","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H30 Cl2 O5 S -","- C29 H30 Cl2 O5 S -","- C116 H120 Cl8 O20 S4 -","4","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0446","0.0359","","","0.0845","0.0895","","","","","","1.028","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033250","21.8205","0.0014","11.6934","0.0006","22.0291","0.0015","90","","95.383","0.002","90","","5596.1","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C33 H30 O5 S -","- C33 H30 O5 S -","- C264 H240 O40 S8 -","8","1","","Hsueh, Nai-Chen; Chen, Hsing-Yin; Chang, Meng-Yang","Construction of Sulfonyl Oxabenzo[3.3.1]bicyclic Core via Cyclocondensation of β-Ketosulfones and o-Formyl Allylbenzenes.","The Journal of organic chemistry","2017","82","24","13324","13332","10.1021/acs.joc.7b02425","","","0.71073","MoKα","","0.0455","0.0382","","","0.1026","0.1083","","","","","","1.051","","","","has coordinates","204801","2020-10-21","18:00:00",""
"4033251","8.5498","0.0019","9.5122","0.0013","16.619","0.002","95.944","0.01","100.27","0.012","107.515","0.014","1250.3","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N2 O10 S -","- C25 H24 N2 O10 S -","- C50 H48 N4 O20 S2 -","2","1","","Gee, Yi Sing; Rivinoja, Daniel J.; Wales, Steven M.; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","Pd-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with 2-Vinylcyclopropane-1,1-dicarboxylates.","The Journal of organic chemistry","2017","82","24","13517","13529","10.1021/acs.joc.7b02624","","x-ray","1.54184","CuKα","","0.0635","0.0571","","","0.1576","0.1637","","","","","","1.0466","","","","has coordinates","204808","2020-10-21","18:00:00",""
"4033252","10.893","0.002","19.835","0.004","12.801","0.003","90","","96.8","0.03","90","","2746.4","1","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H22 F6 N2 O8 S -","- C26 H22 F6 N2 O8 S -","- C104 H88 F24 N8 O32 S4 -","4","1","","Gee, Yi Sing; Rivinoja, Daniel J.; Wales, Steven M.; Gardiner, Michael G.; Ryan, John H.; Hyland, Christopher J. T.","Pd-Catalyzed Dearomative [3 + 2] Cycloaddition of 3-Nitroindoles with 2-Vinylcyclopropane-1,1-dicarboxylates.","The Journal of organic chemistry","2017","82","24","13517","13529","10.1021/acs.joc.7b02624","","x-ray","1.54178","CuKα","","0.0424","0.0351","","","0.0828","0.087","","","","","","1.0521","","","","has coordinates","204808","2020-10-21","18:00:00",""
"4033253","11.29659","0.00018","28.0997","0.0004","7.63435","0.0001","90","","96.334","0.0013","90","","2408.58","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 N4 O2 -","- C13 H12 N4 O2 -","- C104 H96 N32 O16 -","8","2","","Orrego-Hernández, Jessica; Portilla, Jaime","Synthesis of Dicyanovinyl-Substituted 1-(2-Pyridyl)pyrazoles: Design of a Fluorescent Chemosensor for Selective Recognition of Cyanide.","The Journal of organic chemistry","2017","82","24","13376","13385","10.1021/acs.joc.7b02460","","","0.71073","MoKα","","0.049","0.0335","","","0.1128","0.1195","","","","","","0.947","","","","has coordinates","204816","2020-10-21","18:00:00",""
"4033254","13.7712","0.0014","7.5501","0.0008","17.8422","0.0019","90","","103.906","0.002","90","","1800.8","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Br F N O3 -","- C20 H17 Br F N O3 -","- C80 H68 Br4 F4 N4 O12 -","4","1","","Zhu, Yi; Mei, Haibo; Han, Jianlin; Soloshonok, Vadim A.; Zhou, Jie; Pan, Yi","Chemoselective SN2' Allylations of Detrifluoroacetylatively In Situ Generated 3-Fluoroindolin-2-one-Derived Tertiary Enolates with Morita-Baylis-Hillman Carbonates.","The Journal of organic chemistry","2017","82","24","13663","13670","10.1021/acs.joc.7b02409","","","0.71073","MoKα","","0.0483","0.0403","","","0.1092","0.1264","","","","","","1.096","","","","has coordinates","204793","2020-10-21","18:00:00",""
"4033256","6.8905","0.0004","22.4857","0.0012","16.6825","0.0008","90","","93.375","0.002","90","","2580.3","0.2","296","","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H25 Br N2 O4 S -","- C27 H25 Br N2 O4 S -","- C108 H100 Br4 N8 O16 S4 -","4","1","","Bao, Ming; Lu, Wei; Cai, Yanping; Qiu, Lihua; Xu, Xinfang","Gold(I)-Catalyzed Cyclization/Carbonylation Cascade Reaction of 1,6-Diynes: An Access to β,γ-Unsaturated Ketones.","The Journal of organic chemistry","2017","82","24","13386","13395","10.1021/acs.joc.7b02461","","","0.71073","MoKα","","0.1067","0.0761","","","0.1309","0.1411","","","","","","1.206","","","","has coordinates","204812","2020-10-21","18:00:00",""
"4033257","7.2655","0.0004","8.5522","0.0004","27.6699","0.0019","90","","96.753","0.006","90","","1707.37","0.17","273.15","","273.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 Br N O2 S -","- C18 H19 Br N O2 S -","- C72 H76 Br4 N4 O8 S4 -","4","1","","Bao, Ming; Lu, Wei; Cai, Yanping; Qiu, Lihua; Xu, Xinfang","Gold(I)-Catalyzed Cyclization/Carbonylation Cascade Reaction of 1,6-Diynes: An Access to β,γ-Unsaturated Ketones.","The Journal of organic chemistry","2017","82","24","13386","13395","10.1021/acs.joc.7b02461","","","0.71073","MoKα","","0.1126","0.0928","","","0.2483","0.2578","","","","","","1.135","","","","has coordinates","204812","2020-10-21","18:00:00",""
"4033258","11.307","0.003","18.799","0.005","10.72","0.003","90","","115.779","0.007","90","","2051.9","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H21 N3 O -","- C27 H21 N3 O -","- C108 H84 N12 O4 -","4","1","","Xiang, Jia-Chen; Wang, Zi-Xuan; Cheng, Yan; Ma, Jin-Tian; Wang, Miao; Tang, Bo-Cheng; Wu, Yan-Dong; Wu, An-Xin","A C-H Oxidation/Two-Fold Cyclization Approach to Imidazopyridoindole Scaffold under Mild Oxidizing Conditions.","The Journal of organic chemistry","2017","82","24","13671","13677","10.1021/acs.joc.7b02448","","","0.71073","MoKα","","0.0972","0.054","","","0.1284","0.1546","","","","","","0.968","","","","has coordinates","204815","2020-10-21","18:00:00",""
"4033309","13.1837","0.0014","7.2636","0.0008","10.4068","0.0011","90","","90","","90","","996.57","0.19","193","2","193","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C14 H11 N -","- C14 H11 N -","- C56 H44 N4 -","4","0.5","","Al-Huniti, Mohammed H; Sullivan, Zachary B.; Stanley, Jarrod L.; Carson, James A.; Hyatt, I. F. Dempsey; Hairston, A. Christina; Croatt, Mitchell P.","Hypervalent Iodonium Alkynyl Triflate Generated Phenylcyanocarbene and Its Reactivity with Aromatic Systems.","The Journal of organic chemistry","2017","82","22","11772","11780","10.1021/acs.joc.7b01608","","","0.71073","MoKα","","0.0505","0.0452","","","0.1219","0.128","","","","","","1.058","","","","has coordinates","204740","2020-10-21","18:00:00",""
"4033310","17.9542","0.0008","11.5049","0.0005","7.3428","0.0003","90","","90","","90","","1516.74","0.11","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C7 H7 F2 I -","- C7 H7 F2 I -","- C56 H56 F16 I8 -","8","2","","Sarie, Jérôme C; Thiehoff, Christian; Mudd, Richard J.; Daniliuc, Constantin G.; Kehr, Gerald; Gilmour, Ryan","Deconstructing the Catalytic, Vicinal Difluorination of Alkenes: HF-Free Synthesis and Structural Study of p-TolIF2.","The Journal of organic chemistry","2017","82","22","11792","11798","10.1021/acs.joc.7b01671","","","0.71073","MoKα","","0.0241","0.0197","","","0.0386","0.0399","","","","","","1.044","","","","has coordinates","204741","2020-10-21","18:00:00",""
"4033311","7.8333","0.0001","11.4999","0.0002","11.9889","0.0002","74.5871","0.0008","79.3292","0.0007","84.4982","0.0006","1021.9","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C44 H46 N2 O12 -","2","1","","Laevens, Benjamin A.; Tao, Jason; Murphy, Graham K.","Iodide-Mediated Synthesis of Spirooxindolo Dihydrofurans from Iodonium Ylides and 3-Alkylidene-2-oxindoles.","The Journal of organic chemistry","2017","82","22","11903","11908","10.1021/acs.joc.7b01639","","","0.71073","MoKα","","0.0541","0.0411","","","0.0792","0.0849","","","","","","1.158","","","","has coordinates","204742","2020-10-21","18:00:00",""
"4033312","8.0597","0.0007","8.0602","0.0007","12.276","0.001","85.354","0.007","76.767","0.007","64.817","0.009","702.4","0.12","291.9","0.3","291.9","0.3","","","","","","","","6","P -1","-P 1","2","","","","- C13 H10 Br F3 N2 O2 -","- C13 H10 Br F3 N2 O2 -","- C26 H20 Br2 F6 N4 O4 -","2","1","","Ma, Haichao; Zhang, Xiaoyan; Chen, Liangliang; Yu, Wei","A Domino Azidation/C-H Amination Approach toward Trifluoromethyl Substituted Imidazoles.","The Journal of organic chemistry","2017","82","22","11841","11847","10.1021/acs.joc.7b01361","","","0.71073","MoKα","","0.1011","0.0647","","","0.1434","0.1777","","","","","","1.029","","","","has coordinates","204743","2020-10-21","18:00:00",""
"4033313","12.9089","0.0008","24.6306","0.0018","9.2995","0.0008","90","","104.03","0.007","90","","2868.6","0.4","289.53","0.1","289.53","0.1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 F3 N2 O2 -","- C14 H13 F3 N2 O2 -","- C112 H104 F24 N16 O16 -","8","2","","Ma, Haichao; Zhang, Xiaoyan; Chen, Liangliang; Yu, Wei","A Domino Azidation/C-H Amination Approach toward Trifluoromethyl Substituted Imidazoles.","The Journal of organic chemistry","2017","82","22","11841","11847","10.1021/acs.joc.7b01361","","","0.71073","MoKα","","0.1125","0.0655","","","0.1571","0.1925","","","","","","1.028","","","","has coordinates","204744","2020-10-21","18:00:00",""
"4033314","6.5955","0.0003","10.6686","0.0005","17.0119","0.0012","90","","90.016","0.006","90","","1197.04","0.12","123","2","123","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H11 N O4 S2 -","- C11 H11 N O4 S2 -","- C44 H44 N4 O16 S8 -","4","2","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.1501","0.0851","","","0.1846","0.2634","","","","","","1.226","","","","has coordinates","204745","2020-10-21","18:00:00",""
"4033315","13.4331","0.0004","5.37","0.0002","28.625","0.002","90","","97.81","0.007","90","","2045.73","0.18","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H9 N O5 S -","- C10 H9 N O5 S -","- C80 H72 N8 O40 S8 -","8","2","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.1351","0.0801","","","0.1347","0.1609","","","","","","1.038","","","","has coordinates,has disorder","204745","2020-10-21","18:00:00",""
"4033316","5.5612","0.0001","14.2627","0.0003","19.1433","0.0013","90","","90","","90","","1518.4","0.11","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 N O2 P -","- C18 H18 N O2 P -","- C72 H72 N4 O8 P4 -","4","1","","Yoshimura, Akira; Nguyen, Khiem C.; Rohde, Gregory T.; Postnikov, Pavel S.; Yusubov, Mekhman S.; Zhdankin, Viktor V.","Hypervalent Iodine Reagent Mediated Oxidative Heterocyclization of Aldoximes with Heterocyclic Alkenes.","The Journal of organic chemistry","2017","82","22","11742","11751","10.1021/acs.joc.7b01462","","","1.54187","CuKα","","0.0402","0.0374","","","0.0912","0.0986","","","","","","1.082","","","","has coordinates","204745","2020-10-21","18:00:00",""
"4033317","7.6895","0.0004","12.8374","0.0005","17.1516","0.0006","90","","90","","90","","1693.09","0.12","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 Cl I O S -","- C16 H16 Cl I O S -","- C64 H64 Cl4 I4 O4 S4 -","4","1","","Levitre, Guillaume; Dumoulin, Audrey; Retailleau, Pascal; Panossian, Armen; Leroux, Frédéric R; Masson, Géraldine","Asymmetric α-Sulfonyl- and α-Phosphoryl-Oxylation of Ketones by a Chiral Hypervalent Iodine(III).","The Journal of organic chemistry","2017","82","22","11877","11883","10.1021/acs.joc.7b01597","","x-ray","0.71073","MoKα","","0.0337","0.0265","","","0.0549","0.0571","","","","","","1.068","","","","has coordinates","204746","2020-10-21","18:00:00",""
"4033318","8.5473","0.0002","10.2561","0.0002","12.8964","0.0003","71.289","0.002","71.171","0.002","75.331","0.002","999.24","0.04","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H19 Cl3 N2 O6 S -","- C16 H19 Cl3 N2 O6 S -","- C32 H38 Cl6 N4 O12 S2 -","2","1","","Rey-Rodriguez, Romain; Grelier, Gwendal; Habert, Loïc; Retailleau, Pascal; Darses, Benjamin; Gillaizeau, Isabelle; Dauban, Philippe","Reaction of Ynamides with Iminoiodinane-Derived Nitrenes: Formation of Oxazolones and Polyfunctionalized Oxazolidinones.","The Journal of organic chemistry","2017","82","22","11897","11902","10.1021/acs.joc.7b01623","","x-ray","0.71073","MoKα","","0.0469","0.0348","","","0.0897","0.0961","","","","","","1.053","","","","has coordinates","204747","2020-10-21","18:00:00",""
"4033319","14.2906","0.0007","5.9928","0.0004","22.8149","0.0012","90","","93.389","0.007","90","","1950.47","0.19","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O4 -","- C25 H22 O4 -","- C100 H88 O16 -","4","1","","Shimogaki, Mio; Fujita, Morifumi; Sugimura, Takashi","Enantioselective C-C Bond Formation during the Oxidation of 5-Phenylpent-2-enyl Carboxylates with Hypervalent Iodine(III).","The Journal of organic chemistry","2017","82","22","11836","11840","10.1021/acs.joc.7b01141","","","0.71075","MoKα","","0.0874","0.0572","","","0.1348","0.1455","","","","","","1.092","","","","has coordinates","204748","2020-10-21","18:00:00",""
"4033320","13.1542","0.0017","5.9354","0.0008","21.289","0.003","90","","99.3213","0.0016","90","","1640.2","0.4","173","","173","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 I N -","- C21 H14 I N -","- C84 H56 I4 N4 -","4","1","","Sasaki, Teppei; Moriyama, Katsuhiko; Togo, Hideo","Preparation of 3-Iodoquinolines from N-Tosyl-2-propynylamines with Diaryliodonium Triflate and N-Iodosuccinimide.","The Journal of organic chemistry","2017","82","22","11727","11734","10.1021/acs.joc.7b01433","","","0.71073","MoKα","","0.0482","0.0322","","","0.0837","0.1133","","","","","","1.139","","","","has coordinates,has disorder","204749","2020-10-21","18:00:00",""
"4037467","10.539","0.0012","19.502","0.002","14.1053","0.0017","90","","111.24","0.004","90","","2702.2","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H21 Cl2 F3 N2 O4 -","- C27 H21 Cl2 F3 N2 O4 -","- C108 H84 Cl8 F12 N8 O16 -","4","1","","Lei, Ruirui; Wu, Yong; Dong, Suzhen; Jia, Kaili; Liu, Shunying; Hu, Wenhao","A Diastereoselective Multicomponent Reaction for Construction of Alkynylamide-Substituted α,β-Diamino Acid Derivatives To Hunt Hits.","The Journal of organic chemistry","2017","82","6","2862","2869","10.1021/acs.joc.6b02761","","","0.71073","MoKα","","0.1039","0.072","","","0.1991","0.23","","","","","","1.04","","","","has coordinates,has disorder","236198","2020-10-21","18:00:00",""
"4037468","23.6277","0.0009","24.7861","0.001","39.6556","0.0019","90","","90","","90","","23223.8","1.7","203","2","203","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C154 H170 I3 K2 N86 O67 -","- C154 H170 I3 K2 N86 O67 -","- C616 H680 I12 K8 N344 O268 -","4","1","","Gong, Wanjun; Ma, Jun; Zhao, Zhiyong; Gao, Fang; Liang, Feng; Zhang, Haijun; Liu, Simin","Inhibition and Stabilization: Cucurbituril Induced Distinct Effects on the Schiff Base Reaction.","The Journal of organic chemistry","2017","82","6","3298","3301","10.1021/acs.joc.6b02971","","","1.54178","CuKα","","0.1812","0.1375","","","0.3117","0.3548","","","","","","0.973","","","","has coordinates","236201","2020-10-21","18:00:00",""
"4037469","20.8688","0.0006","20.8688","0.0006","12.2249","0.0004","90","","90","","120","","4610.7","0.2","290","2","290","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C19 H15 Br N2 O3 -","- C19 H15 Br N2 O3 -","- C171 H135 Br9 N18 O27 -","9","1","","Yang, Peng; Wang, Xiao; Chen, Feng; Zhang, Zheng-Bing; Chen, Chao; Peng, Lin; Wang, Li-Xin","Organocatalytic Enantioselective Michael/Cyclization Domino Reaction between 3-Amideoxindoles and α,β-Unsaturated Aldehydes: One-Pot Preparation of Chiral Spirocyclic Oxindole-γ-lactams.","The Journal of organic chemistry","2017","82","7","3908","3916","10.1021/acs.joc.6b03090","","","1.54184","CuKα","","0.0266","0.0264","","","0.071","0.0713","","","","","","1.048","","","","has coordinates","236203","2020-10-21","18:00:00",""
"4037470","12.177","0.003","8.5411","0.0014","14.152","0.004","90","","117.632","0.019","90","","1304","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 N2 O2 -","- C16 H14 N2 O2 -","- C64 H56 N8 O8 -","4","1","","Jiao, Yan-Xiao; Wu, Ling-Ling; Zhu, Hai-Miao; Qin, Jiang-Ke; Pan, Cheng-Xue; Mo, Dong-Liang; Su, Gui-Fa","Tandem C-N Bond Formation through Condensation and Metal-Free N-Arylation: Protocol for Synthesizing Diverse Functionalized Quinoxalines.","The Journal of organic chemistry","2017","82","8","4407","4414","10.1021/acs.joc.7b00011","","","0.7107","MoKα","","0.1195","0.0697","","","0.1171","0.1453","","","","","","1.775","","","","has coordinates","236205","2020-10-21","18:00:00",""
"4037471","10.1206","0.0002","10.1349","0.0002","21.0311","0.0005","90","","90","","90","","2157.19","0.08","130","0.2","130","0.2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Manchala, Narasimhulu; Law, Hanson Y. L.; Kerr, Daniel J.; Volpe, Rohan; Lepage, Romain J.; White, Jonathan M.; Krenske, Elizabeth H.; Flynn, Bernard L.","Multistereocenter-Containing Cyclopentanoids from Ynamides via Oxazolidinone-Controlled Nazarov Cyclization.","The Journal of organic chemistry","2017","82","13","6511","6527","10.1021/acs.joc.7b00082","","","1.5418","CuKα","","0.0438","0.0418","","","0.1044","0.1059","","","","","","0.989","","","","has coordinates","236207","2020-10-21","18:00:00",""
"4037472","11.6875","0.0017","12.1777","0.0018","12.2214","0.0017","94.92","0.003","111.382","0.002","116.846","0.002","1377.9","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H37 N O4 -","- C31 H37 N O4 -","- C62 H74 N2 O8 -","2","1","","Lin, Chen; Shen, Yangyong; Huang, Bo; Liu, Yu; Cui, Sunliang","Synthesis of Amides and Nitriles from Vinyl Azides and p-Quinone Methides.","The Journal of organic chemistry","2017","82","7","3950","3956","10.1021/acs.joc.7b00145","","","0.71073","MoKα","","0.1587","0.0548","","","0.0573","0.0706","","","","","","1.164","","","","has coordinates","236209","2020-10-21","18:00:00",""
"4037473","14.837","0.002","10.7069","0.0016","16.375","0.003","90","","110.019","0.003","90","","2444.1","0.7","296","2","296.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H35 N O4 -","- C26 H35 N O4 -","- C104 H140 N4 O16 -","4","1","","Lin, Chen; Shen, Yangyong; Huang, Bo; Liu, Yu; Cui, Sunliang","Synthesis of Amides and Nitriles from Vinyl Azides and p-Quinone Methides.","The Journal of organic chemistry","2017","82","7","3950","3956","10.1021/acs.joc.7b00145","","","0.71073","MoKα","","0.0955","0.0465","","","0.1123","0.138","","","","","","1.023","","","","has coordinates","236211","2020-10-21","18:00:00",""
"4037474","11.6882","0.0001","7.9358","0.0001","20.2157","0.0002","90","","105.231","0.001","90","","1809.25","0.03","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H21 N O3 -","- C21 H21 N O3 -","- C84 H84 N4 O12 -","4","2","","Sun, Jianan; Hu, Yanbin; Li, Yanan; Zhang, Sheng; Zha, Zhenggen; Wang, Zhiyong","Copper-Catalyzed Chemoselective and Enantioselective Friedel-Crafts 1,2-Addition of Pyrrole with β,γ-Unsaturated α-Ketoesters.","The Journal of organic chemistry","2017","82","10","5102","5110","10.1021/acs.joc.7b00159","","","1.54184","CuKα","","0.0347","0.0326","","","0.0892","0.0918","","","","","","1.025","","","","has coordinates","236213","2020-10-21","18:00:00",""
"4037475","9.6731","0.0003","8.3989","0.0002","12.0183","0.0003","90","","92.185","0.001","90","","975.7","0.05","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C19 H27 Cl N O2 P -","- C19 H27 Cl N O2 P -","- C38 H54 Cl2 N2 O4 P2 -","2","1","","Su, Hsin Y.; Taylor, Mark S.","P-Stereogenic β-Aminophosphines: Preparation and Applications in Enantioselective Organocatalysis.","The Journal of organic chemistry","2017","82","6","3173","3182","10.1021/acs.joc.7b00199","","","1.54178","CuKα","","0.0219","0.0217","","","0.0561","0.0562","","","","","","1.068","","","","has coordinates","236216","2020-10-21","18:00:00",""
"4037476","13.8893","0.0005","6.8939","0.0003","15.5331","0.0006","90","","108.119","0.002","90","","1413.56","0.1","147","2","147","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H37 B N3 O5 P -","- C27 H37 B N3 O5 P -","- C54 H74 B2 N6 O10 P2 -","2","1","","Su, Hsin Y.; Taylor, Mark S.","P-Stereogenic β-Aminophosphines: Preparation and Applications in Enantioselective Organocatalysis.","The Journal of organic chemistry","2017","82","6","3173","3182","10.1021/acs.joc.7b00199","","","1.54178","CuKα","","0.0354","0.034","","","0.088","0.0888","","","","","","1.052","","","","has coordinates","236217","2020-10-21","18:00:00",""
"4037477","4.0508","0.0005","12.2873","0.0015","15.1864","0.0019","103.756","0.002","94.792","0.002","109.637","0.002","680.37","0.15","137","2","137","","","","","","","","","4","P -1","-P 1","2","","","","- C38 H24 Br2 N2 -","- C38 H24 Br2 N2 -","- C38 H24 Br2 N2 -","1","0.5","","Evoniuk, Christopher J.; Gomes, Gabriel Dos Passos; Ly, Michelle; White, Frankie D.; Alabugin, Igor V.","Coupling Radical Homoallylic Expansions with C-C Fragmentations for the Synthesis of Heteroaromatics: Quinolines from Reactions of o-Alkenylarylisonitriles with Aryl, Alkyl, and Perfluoroalkyl Radicals.","The Journal of organic chemistry","2017","82","8","4265","4278","10.1021/acs.joc.7b00262","","","0.71073","MoKα","","0.0301","0.0263","","","0.062","0.0631","","","","","","1.154","","","","has coordinates","236219","2020-10-21","18:00:00",""
"4037478","6.62124","0.00007","13.29651","0.00013","34.1798","0.0004","90","","90","","90","","3009.17","0.06","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H42 Cl3 F O6 -","- C30 H42 Cl3 F O6 -","- C120 H168 Cl12 F4 O24 -","4","1","","Pitts, Cody Ross; Siegler, Maxime A.; Lectka, Thomas","Intermolecular Aliphatic C-F···H-C Interaction in the Presence of ""Stronger"" Hydrogen Bond Acceptors: Crystallographic, Computational, and IR Studies.","The Journal of organic chemistry","2017","82","7","3996","4000","10.1021/acs.joc.7b00268","","","1.54178","CuKα","","0.0359","0.0353","","","0.1003","0.1009","","","","","","1.092","","","","has coordinates","236221","2020-10-21","18:00:00",""
"4037479","10.2837","0.0007","14.9709","0.0009","9.7616","0.0006","90","","112.694","0.002","90","","1386.51","0.15","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C68 H64 O12 -","4","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0446","0.0389","","","0.1027","0.1075","","","","","","1.085","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037480","5.71443","0.00018","28.523","0.0008","10.7016","0.0004","90","","90.151","0.003","90","","1744.28","0.1","173","0.1","173","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H22 O5 -","- C20 H22 O5 -","- C80 H88 O20 -","4","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0701","0.051","","","0.106","0.1177","","","","","","1.078","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037481","24.5382","0.0013","5.9207","0.0003","25.8385","0.0013","90","","104.266","0.006","90","","3638.1","0.3","173","0.1","173","0.1","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C176 H176 O32 -","8","1","","Liu, Yongjun; Tian, Guang; Li, Jingjing; Qi, Yan; Wen, Yonghong; Du, Feng","Reductive Bis-addition of Aromatic Aldehydes to α,β-Unsaturated Esters via the Use of Sm/Cu(I) in Air: A Route to the Construction of Furofuran Lignans.","The Journal of organic chemistry","2017","82","11","5932","5939","10.1021/acs.joc.7b00278","","","0.71073","MoKα","","0.0718","0.0508","","","0.1077","0.1234","","","","","","1.066","","","","has coordinates","236223","2020-10-21","18:00:00",""
"4037482","54.96","0.02","9.068","0.003","12.209","0.004","90","","101.194","0.009","90","","5969","4","153","2","153","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C62 H52 Cl2 N2 O3 -","- C62 H46 Cl2 N2 O3 -","- C248 H184 Cl8 N8 O12 -","4","1","","Yu, Yang; Li, Yawen; Wang, Xiaoqing; Nian, Hao; Wang, Le; Li, Jie; Zhao, Yanxia; Yang, Xiran; Liu, Simin; Cao, Liping","Cucurbit[10]uril-Based [2]Rotaxane: Preparation and Supramolecular Assembly-Induced Fluorescence Enhancement.","The Journal of organic chemistry","2017","82","11","5590","5596","10.1021/acs.joc.7b00400","","","0.71073","MoKα","","0.1345","0.1022","","","0.2185","0.2298","","","","","","1.117","","","","has coordinates","236226","2020-10-21","18:00:00",""
"4037483","8.55","0.003","10.09","0.003","21.776","0.007","90","","93.816","0.008","90","","1874.4","1.1","293","2","293","2","","","","","","","see text","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H17 Cl N2 O -","- C23 H17 Cl N2 O -","- C92 H68 Cl4 N8 O4 -","4","1","","Rajesh, Manda; Puri, Surendra; Kant, Ruchir; Sridhar Reddy, Maddi","Ag-Catalyzed Intramolecular Sequential Vicinal Diamination of Alkynes with Isocyanates: Synthesis of Fused Indole-Cyclic Urea Derivatives.","The Journal of organic chemistry","2017","82","10","5169","5177","10.1021/acs.joc.7b00417","","","0.71075","MoKα","","0.1004","0.0525","","","0.1341","0.1508","","","","","","1.011","","","","has coordinates","236228","2020-10-21","18:00:00",""
"4037484","6.017","0.002","9.564","0.003","30.731","0.011","90.012","0.011","90.214","0.011","90.193","0.012","1768.4","1","296","2","296","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H21 O -","- C24 H20 O -","- C96 H80 O4 -","4","4","","Dey, Amrita; Ali, Md Ashif; Jana, Sourav; Hajra, Alakananda","Copper-Catalyzed Regioselective Synthesis of Multisubstituted Furans by Coupling between Ketones and Aromatic Olefins.","The Journal of organic chemistry","2017","82","9","4812","4818","10.1021/acs.joc.7b00476","","","0.71073","MoKα","","0.1239","0.0758","","","0.1897","0.2324","","","","","","0.969","","","","has coordinates","236230","2020-10-21","18:00:00",""
"4037485","5.9655","0.0005","8.3443","0.0004","29.031","0.002","90","","93.06","0.008","90","","1443.04","0.17","298","10","298","10","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 S -","- C15 H15 N O4 S -","- C60 H60 N4 O16 S4 -","4","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.0902","0.0526","","","0.1102","0.1351","","","","","","1.062","","","","has coordinates","236232","2020-10-21","18:00:00",""
"4037486","7.7523","0.0006","9.9375","0.0008","10.9445","0.0008","83.039","0.007","79.544","0.006","72.21","0.007","787.55","0.11","298","10","298","10","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 N O3 S -","- C18 H15 N O3 S -","- C36 H30 N2 O6 S2 -","2","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.1011","0.0533","","","0.1007","0.1307","","","","","","1.059","","","","has coordinates","236234","2020-10-21","18:00:00",""
"4037487","8.78","0.0009","8.8815","0.0007","11.5174","0.0008","77.869","0.006","87.177","0.007","64.169","0.009","789.42","0.13","297.4","0.3","297.4","0.3","","","","","","","","5","P -1","-P 1","2","","","","- C16 H15 N O5 S -","- C16 H15 N O5 S -","- C32 H30 N2 O10 S2 -","2","1","","Mu, Delong; Wang, Xinmou; Chen, Gong; He, Gang","Iridium-Catalyzed ortho-C(sp<sup>2</sup>)-H Amidation of Benzaldehydes with Organic Azides.","The Journal of organic chemistry","2017","82","8","4497","4503","10.1021/acs.joc.7b00531","","x-ray","0.71073","MoKα","","0.0561","0.0432","","","0.1067","0.1169","","","","","","1.052","","","","has coordinates","236236","2020-10-21","18:00:00",""
"4037488","9.8868","0.0011","15.861","0.002","18.957","0.0019","90","","90","","90","","2972.7","0.6","293","","293","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H16 N2 O4 -","- C16 H16 N2 O4 -","- C128 H128 N16 O32 -","8","1","","Parella, Ramarao; Babu, Srinivasarao Arulananda","Pd(II)-Catalyzed, Picolinamide-Assisted, Z-Selective γ-Arylation of Allylamines To Construct Z-Cinnamylamines.","The Journal of organic chemistry","2017","82","13","6550","6567","10.1021/acs.joc.7b00535","","","0.71075","MoKα","","0.1122","0.0786","","","0.1664","0.1878","","","","","","1.174","","","","has coordinates,has disorder","236237","2020-10-21","18:00:00",""
"4037489","21.6776","0.001","25.114","0.011","9.141","0.004","90","","99.182","0.006","90","","4913","3","100","2","100.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C52 H36 B3 F6 N7 -","- C52 H36 B3 F6 N7 -","- C208 H144 B12 F24 N28 -","4","0.5","","Kumar, Sunit; Thorat, Kishor G.; Ravikanth, Mangalampalli","Synthesis and Properties of Covalently Linked AzaBODIPY-BODIPY Dyads and AzaBODIPY-(BODIPY)<sub>2</sub> Triads.","The Journal of organic chemistry","2017","82","13","6568","6577","10.1021/acs.joc.7b00542","","","0.71075","MoKα","","0.1067","0.0644","","","0.1258","0.1424","","","","","","0.878","","","","has coordinates","236239","2020-10-21","18:00:00",""
"4037490","13.456","0.004","7.52","0.002","15.678","0.004","90","","105.424","0.006","90","","1529.3","0.7","170","","170","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H14 N2 O4 -","- C19 H14 N2 O4 -","- C76 H56 N8 O16 -","4","1","","Xie, Yanan; Wu, Xiaowei; Li, Chunpu; Wang, Jiang; Li, Jian; Liu, Hong","Ruthenium(II)-Catalyzed Redox-Neutral [3+2] Annulation of Indoles with Internal Alkynes via C-H Bond Activation: Accessing a Pyrroloindolone Scaffold.","The Journal of organic chemistry","2017","82","10","5263","5273","10.1021/acs.joc.7b00575","","","0.71073","MoKα","","0.0854","0.0482","","","0.1189","0.1377","","","","","","1.016","","","","has coordinates","236241","2020-10-21","18:00:00",""
"4037491","8.2464","0.0005","16.2806","0.001","21.1267","0.0011","90","","97.119","0.006","90","","2814.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 Br N3 O5 S -","- C30 H22 Br N3 O5 S -","- C120 H88 Br4 N12 O20 S4 -","4","1","","Zhang, Lei; Lu, Hong; Xu, Guo-Qiang; Wang, Zhu-Yin; Xu, Peng-Fei","PPh<sub>3</sub> Mediated Reductive Annulation Reaction between Isatins and Electron Deficient Dienes to Construct Spirooxindole Compounds.","The Journal of organic chemistry","2017","82","11","5782","5789","10.1021/acs.joc.7b00595","","x-ray","1.54184","CuKα","","0.1222","0.0946","","","0.2594","0.2736","","","","","","1.178","","","","has coordinates","236243","2020-10-21","18:00:00",""
"4037492","12.5227","0.0005","13.8588","0.0004","15.9556","0.0006","90","","101.452","0.004","90","","2713.96","0.17","292.78","0.1","292.78","0.1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H23 N3 O5 S -","- C30 H23 N3 O5 S -","- C120 H92 N12 O20 S4 -","4","1","","Zhang, Lei; Lu, Hong; Xu, Guo-Qiang; Wang, Zhu-Yin; Xu, Peng-Fei","PPh<sub>3</sub> Mediated Reductive Annulation Reaction between Isatins and Electron Deficient Dienes to Construct Spirooxindole Compounds.","The Journal of organic chemistry","2017","82","11","5782","5789","10.1021/acs.joc.7b00595","","x-ray","0.71073","MoKα","","0.117","0.0619","","","0.1289","0.1636","","","","","","1.037","","","","has coordinates","236245","2020-10-21","18:00:00",""
"4037493","7.461","0.006","9.376","0.008","23.221","0.018","90","","105.93","0.02","90","","1562","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F7 N O -","- C15 H14 F7 N O -","- C60 H56 F28 N4 O4 -","4","1","","Zheng, Jinhua; Chen, Pan; Yuan, Yaofeng; Cheng, Jiajia","Pd-Catalyzed Arylperfluoroalkylation of Unactivated Olefins for the Synthesis of Heterocycles.","The Journal of organic chemistry","2017","82","11","5790","5797","10.1021/acs.joc.7b00598","","","0.71073","MoKα","","0.0764","0.0609","","","0.1886","0.2051","","","","","","1.041","","","","has coordinates","236247","2020-10-21","18:00:00",""
"4037494","8.8838","0.0006","8.9296","0.0011","13.3506","0.0008","97.838","0.007","98.644","0.005","91.067","0.008","1036.45","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H19 N3 O3 -","- C26 H19 N3 O3 -","- C52 H38 N6 O6 -","2","1","","Pradhan, Sourav; De, Pinaki Bhusan; Punniyamurthy, Tharmalingam","Copper(II)-Mediated Chelation-Assisted Regioselective N-Naphthylation of Indoles, Pyrazoles and Pyrrole through Dehydrogenative Cross-Coupling.","The Journal of organic chemistry","2017","82","9","4883","4890","10.1021/acs.joc.7b00615","","","0.71073","MoKα","","0.063","0.0491","","","0.1001","0.1076","","","","","","1.048","","","","has coordinates","236248","2020-10-21","18:00:00",""
"4037495","7.305","0.0009","16.254","0.003","16.7183","0.0019","90","","90","","90","","1985.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 Cl2 O16 -","- C40 H37.8 Cl2 O15.9 -","- C80 H75.6 Cl4 O31.8 -","2","0.5","","Moro, Artur J.; Parola, A. Jorge; Pina, Fernando; Pana, Ana-Maria; Badea, Valentin; Pausescu, Iulia; Shova, Sergiu; Cseh, Liliana","2,2'-Spirobis[chromene] Derivatives Chemistry and Their Relation with the Multistate System of Anthocyanins.","The Journal of organic chemistry","2017","82","10","5301","5309","10.1021/acs.joc.7b00634","","x-ray","1.54184","CuKα","","0.172","0.096","","","0.2311","0.3041","","","","","","1.003","","","","has coordinates,has disorder","236250","2020-10-21","18:00:00",""
"4037496","10.2517","0.0003","14.6838","0.0004","17.6105","0.0005","90","","90","","90","","2650.98","0.13","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H30 N4 O4 S -","- C26 H30 N4 O4 S -","- C104 H120 N16 O16 S4 -","4","1","","Lin, Huihua; Zhou, Zijun; Cai, Jun; Han, Bowen; Gong, Lei; Meggers, Eric","Asymmetric Construction of 3,3-Disubstituted Oxindoles Bearing Vicinal Quaternary-Tertiary Carbon Stereocenters Catalyzed by a Chiral-at-Rhodium Complex.","The Journal of organic chemistry","2017","82","12","6457","6467","10.1021/acs.joc.7b00793","","","1.54184","CuKα","","0.0331","0.032","","","0.0877","0.0889","","","","","","1","","","","has coordinates","236251","2020-10-21","18:00:00",""
"4037497","7.2152","0.0003","14.0726","0.0007","20.7911","0.001","90","","90","","90","","2111.06","0.17","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C28 H20 Br2 -","- C28 H20 Br2 -","- C112 H80 Br8 -","4","1","","van Leeuwen, Thomas; Danowski, Wojciech; Otten, Edwin; Wezenberg, Sander J.; Feringa, Ben L.","Asymmetric Synthesis of Second-Generation Light-Driven Molecular Motors.","The Journal of organic chemistry","2017","82","10","5027","5033","10.1021/acs.joc.7b00852","","","0.71073","MoKα","","0.017","0.0157","","","0.0392","0.0395","","","","","","1.084","","","","has coordinates","236252","2020-10-21","18:00:00",""
"4037498","10.7705","0.0007","10.1713","0.0006","15.4078","0.0009","90","","97.569","0.006","90","","1673.22","0.18","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br N3 O4 -","- C16 H18 Br N3 O4 -","- C64 H72 Br4 N12 O16 -","4","1","","Satham, Lakshminarayana; Namboothiri, Irishi N. N.","Regio- and Diastereoselective Synthesis of Dihydropyridopyrimidines via Cascade Reactions of 2-Aminopyridines with Morita-Baylis-Hillman Bromides of Nitroalkenes.","The Journal of organic chemistry","2017","82","12","6482","6488","10.1021/acs.joc.7b00947","","","0.71073","MoKα","","0.0606","0.0497","","","0.1412","0.1499","","","","","","1.075","","","","has coordinates","236253","2020-10-21","18:00:00",""
"4037499","11.031","0.002","7.7855","0.0015","29.329","0.006","90","","90","","90","","2518.8","0.8","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C120 H96 N16 O24 -","8","1","","Guo, Chun-Xiao; Zhang, Wen-Zhen; Zhang, Ning; Lu, Xiao-Bing","1,3-Dipolar Cycloaddition of Nitrile Imine with Carbon Dioxide: Access to 1,3,4-Oxadiazole-2(3H)-ones.","The Journal of organic chemistry","2017","82","14","7637","7642","10.1021/acs.joc.7b00963","","","0.71073","MoKα","","0.0576","0.0428","","","0.0992","0.108","","","","","","1.047","","","","has coordinates","236254","2020-10-21","18:00:00",""
"4037500","14.8183","0.0013","11.2475","0.0002","15.815","0.003","90","","105.57","0.02","90","","2539.1","0.6","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C50 H18 B2 Cl6 F20 N2 O2 -","- C50 H18 B2 Cl6 F20 N2 O2 -","- C100 H36 B4 Cl12 F40 N4 O4 -","2","0.5","","Urban, Mateusz; Durka, Krzysztof; Jankowski, Piotr; Serwatowski, Janusz; Luliński, Sergiusz","Highly Fluorescent Red-Light Emitting Bis(boranils) Based on Naphthalene Backbone.","The Journal of organic chemistry","2017","82","15","8234","8241","10.1021/acs.joc.7b01001","","","1.5418","CuKα","","0.0454","0.0424","","","0.1099","0.113","","","","","","1.061","","","","has coordinates,has disorder","236256","2020-10-21","18:00:00",""
"4037501","10.8339","0.001","11.6677","0.001","12.8335","0.0007","68.481","0.007","87.828","0.006","76.034","0.008","1462.2","0.2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C58 H36 B2 Cl6 F20 N4 O2 -","- C58 H36 B2 Cl6 F20 N4 O2 -","- C58 H36 B2 Cl6 F20 N4 O2 -","1","0.5","","Urban, Mateusz; Durka, Krzysztof; Jankowski, Piotr; Serwatowski, Janusz; Luliński, Sergiusz","Highly Fluorescent Red-Light Emitting Bis(boranils) Based on Naphthalene Backbone.","The Journal of organic chemistry","2017","82","15","8234","8241","10.1021/acs.joc.7b01001","","x-ray","1.54184","CuKα","","0.1076","0.0657","","","0.1761","0.2142","","","","","","1.023","","","","has coordinates","236256","2020-10-21","18:00:00",""
"4037502","12.846","0.0014","5.5579","0.0006","22.666","0.002","90","","99.6153","0.0017","90","","1595.5","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O4 S -","- C16 H21 N O4 S -","- C64 H84 N4 O16 S4 -","4","1","","Diccianni, Justin B.; Heitmann, Tyler; Diao, Tianning","Nickel-Catalyzed Reductive Cycloisomerization of Enynes with CO<sub>2</sub>.","The Journal of organic chemistry","2017","82","13","6895","6903","10.1021/acs.joc.7b01034","","","0.71073","MoKα","","0.0575","0.0468","","","0.12","0.1273","","","","","","1.044","","","","has coordinates,has disorder","236257","2020-10-21","18:00:00",""
"4037503","11.711","0.003","9.334","0.002","25.458","0.006","90","","99.53","0.006","90","","2744.4","1.1","103","","103","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(2R*,12S*)-2-Butyl-14,14-bis(methoxycarbonyl)-9,9-dimethyl-12- phenylsulfonyltricyclo[9.4.0.03,8]tetradeca-1(15),3,5,7,10-tetraene","","- C31 H36 O6 S -","- C31 H36 O6 S -","- C124 H144 O24 S4 -","4","1","","Kawaguchi, Yasuaki; Yasuda, Shigeo; Mukai, Chisato","Mechanistic Investigation of Rh<sup>I</sup>-Catalyzed Cycloisomerization of Benzylallene-Internal Alkynes via C-H Activation.","The Journal of organic chemistry","2017","82","14","7666","7674","10.1021/acs.joc.7b01048","","","0.71075","MoKα","","","0.0972","","","","0.3107","","","","","","1.079","","","","has coordinates","236258","2020-10-21","18:00:00",""
"4037504","8.0414","0.0005","10.3635","0.0008","15.97","0.0013","90","","100.769","0.003","90","","1307.45","0.17","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Br N2 O -","- C16 H11 Br N2 O -","- C64 H44 Br4 N8 O4 -","4","1","","Badigenchala, Sindhura; Sekar, Govindasamy","NIS Mediated Cross-Coupling of C(sp<sup>2</sup>)-H and N-H Bonds: A Transition-Metal-Free Approach toward Indolo[1,2-a]quinazolinones.","The Journal of organic chemistry","2017","82","14","7657","7665","10.1021/acs.joc.7b01080","","","0.71073","MoKα","","0.0544","0.0335","","","0.0653","0.0717","","","","","","1.03","","","","has coordinates","236259","2020-10-21","18:00:00",""
"4037505","12.529","","7.898","","12.87","","90","","103.96","","90","","1235.92","","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C60 H48 F4 N12 -","- C60 H48 F4 N12 -","- C60 H48 F4 N12 -","1","0.25","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0651","0.0447","","","0.1372","0.1553","","","","","","1.023","","","","has coordinates","236260","2020-10-21","18:00:00",""
"4037506","8.765","","13.009","","13.962","","90","","103.9","","90","","1545.38","","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F2 N3 S -","- C18 H13 F2 N3 S -","- C72 H52 F8 N12 S4 -","4","1","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0744","0.0635","","","0.214","0.222","","","","","","1.645","","","","has coordinates","236262","2020-10-21","18:00:00",""
"4037507","11.425","","14.928","","15.76","","107.82","","111.14","","90.04","","2367.99","","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C20 H16 F N3 -","- C20 H16 F N3 -","- C120 H96 F6 N18 -","6","6","","Zhang, Qiao; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian","Metal-Free Three-Component Regioselective Aminofluorination of Styrene Derivatives.","The Journal of organic chemistry","2017","82","15","8258","8266","10.1021/acs.joc.7b01089","","","0.71073","MoKα","","0.0801","0.0344","","","0.1062","0.1322","","","","","","0.634","","","","has coordinates","250444","2020-10-21","18:00:00",""
"4037508","8.0727","0.0003","8.1831","0.0003","11.4988","0.0004","76.276","0.002","76.546","0.002","63.917","0.001","655.56","0.04","100","0.2","100","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C30 H32 N8 O2 -","2","1","","Tsai, Meng-Shiue; Ou, Chun-Lin; Tsai, Chi-Jui; Huang, Yen-Chin; Cheng, Yuan-Chung; Sun, Shih-Sheng; Yang, Jye-Shane","Fluorescence Enhancement of Unconstrained GFP Chromophore Analogues Based on the Push-Pull Substituent Effect.","The Journal of organic chemistry","2017","82","15","8031","8039","10.1021/acs.joc.7b01260","","","0.71073","MoKα","","0.0428","0.0367","","","0.0964","0.102","","","","","","1.038","","","","has coordinates","236265","2020-10-21","18:00:00",""
"4037509","10.3427","0.0006","11.3011","0.0008","13.1434","0.0011","111.232","0.007","92.812","0.006","101.965","0.006","1387.82","0.19","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H16 N4 O -","- C15 H16 N4 O -","- C60 H64 N16 O4 -","4","2","","Tsai, Meng-Shiue; Ou, Chun-Lin; Tsai, Chi-Jui; Huang, Yen-Chin; Cheng, Yuan-Chung; Sun, Shih-Sheng; Yang, Jye-Shane","Fluorescence Enhancement of Unconstrained GFP Chromophore Analogues Based on the Push-Pull Substituent Effect.","The Journal of organic chemistry","2017","82","15","8031","8039","10.1021/acs.joc.7b01260","","","1.54178","CuKα","","0.0766","0.0587","","","0.1586","0.1807","","","","","","1.034","","","","has coordinates","236266","2020-10-21","18:00:00",""
"4037510","6.0926","0.0007","12.1228","0.0014","15.3871","0.0016","73.037","0.002","86.996","0.003","81.089","0.002","1073.9","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H15 F3 N2 O4 S -","- C18 H15 F3 N2 O4 S -","- C36 H30 F6 N4 O8 S2 -","2","1","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.0815","0.0597","","","0.1662","0.1791","","","","","","1.05","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037511","11.873","0.002","13.795","0.003","14.934","0.003","74.128","0.004","74.345","0.004","88.89","0.004","2261.6","0.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 F3 N2 O2 S -","- C24 H23 F3 N2 O2 S -","- C96 H92 F12 N8 O8 S4 -","4","2","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.0973","0.0643","","","0.1538","0.1915","","","","","","1.065","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037512","8.9029","0.0013","10.2491","0.0015","10.8402","0.0016","97.645","0.003","97.068","0.003","96.897","0.003","963.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H20 F3 N O3 S -","- C19 H20 F3 N O3 S -","- C38 H40 F6 N2 O6 S2 -","2","1","","Huang, Qiu-Xia; Zheng, Qu-Tong; Duan, Yaya; Lin, Jin-Hong; Xiao, Ji-Chang; Zheng, Xing","Diastereoselective Synthesis of CF<sub>3</sub>-Containing Vicinal Diamines.","The Journal of organic chemistry","2017","82","15","8273","8281","10.1021/acs.joc.7b01261","","","0.71073","MoKα","","0.076","0.0654","","","0.179","0.1909","","","","","","1.051","","","","has coordinates","236267","2020-10-21","18:00:00",""
"4037513","10.1421","0.0006","8.1506","0.0004","12.8445","0.0008","90","","112.215","0.007","90","","982.97","0.11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","(1R,5S,7S)-7-[(benzyloxy)methyl]-2-tosyl-6-oxa-2-azabicyclo[3.2.1]octane","","- C21 H25 N O4 S -","- C21 H25 N O4 S -","- C42 H50 N2 O8 S2 -","2","1","","Mahía, Alejandro; Badorrey, Ramón; Gálvez, José A; Díaz-de-Villegas, María D","Diastereoselective Construction of the 6-Oxa-2-azabicyclo[3.2.1]octane Scaffold from Chiral α-Hydroxyaldehyde Derivatives by the Aza-Prins Reaction.","The Journal of organic chemistry","2017","82","15","8048","8057","10.1021/acs.joc.7b01291","","","0.71073","MoKα","","0.0585","0.0428","","","0.0858","0.0952","","","","","","1.053","","","","has coordinates","236269","2020-10-21","18:00:00",""
"4037514","17.6246","0.0004","7.4786","0.0002","38.5418","0.0008","90","","90","","90","","5080.1","0.2","100","0.1","100","0.1","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C44 H22 -","- C44 H22 -","- C352 H176 -","8","1","","Tao, Yu-Tai; Pola, Someshwar; Kumar, Sushil; Islam, M. Minarul","Synthesis and Characterization of Contorted Pentabenzo-Fused Coronenes as Semiconducting Materials.","The Journal of organic chemistry","2017","82","15","8067","8071","10.1021/acs.joc.7b01328","","","0.71073","MoKα","","0.0489","0.0377","","","0.0963","0.1042","","","","","","1.034","","","","has coordinates","236271","2020-10-21","18:00:00",""
"4037515","21.76262","0.00016","21.76262","0.00016","7.96088","0.00012","90","","90","","90","","3770.37","0.07","100","2","100","2","","","","","","","","3","P -4 21 c","P -4 2n","114","","","","- C25 H18 N4 -","- C25 H18 N4 -","- C200 H144 N32 -","8","1","","Funt, Liya D.; Tomashenko, Olesya A.; Mosiagin, Ivan P.; Novikov, Mikhail S.; Khlebnikov, Alexander F.","Synthesis of Pyrrolotriazoloisoquinoline Frameworks by Intramolecular Cu-Mediated or Free Radical Arylation of Triazoles.","The Journal of organic chemistry","2017","82","14","7583","7594","10.1021/acs.joc.7b01341","","x-ray","1.54184","CuKα","","0.0302","0.0287","","","0.0725","0.0741","","","","","","1.055","","","","has coordinates","236273","2020-10-21","18:00:00",""
"4037516","14.6934","0.0009","12.412","0.0009","35.719","0.003","90","","90","","90","","6514.2","0.8","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H16 N3 O2.5 -","- C19 H16 N3 O2.5 -","- C304 H256 N48 O40 -","16","2","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0708","0.0411","","","0.084","0.0975","","","","","","1.01","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037517","12.094","0.003","7.0075","0.0017","21.832","0.005","90","","94.77","0.03","90","","1843.8","0.8","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N3 O5 -","- C19 H21 N3 O5 -","- C76 H84 N12 O20 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.56087","AgKα","","0.1109","0.0496","","","0.1004","0.1202","","","","","","0.906","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037518","9.5731","0.0005","14.4963","0.0009","18.9287","0.0011","90","","90","","90","","2626.8","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H16 N2 O4 -","- C14 H16 N2 O4 -","- C112 H128 N16 O32 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0681","0.0467","","","0.1197","0.133","","","","","","1.05","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037519","8.3266","0.0002","20.7583","0.0005","7.9994","0.0002","90","","108.102","0.001","90","","1314.23","0.06","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 N2 O4 -","- C12 H20 N2 O4 -","- C48 H80 N8 O16 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.0442","0.0364","","","0.0917","0.0962","","","","","","1.032","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037520","9.0834","0.0002","9.2348","0.0002","14.267","0.0003","90","","100.316","0.001","90","","1177.42","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H12 N2 O3 -","- C13 H12 N2 O3 -","- C52 H48 N8 O12 -","4","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.05","0.039","","","0.0964","0.1038","","","","","","1.032","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037521","18.0896","0.0009","6.6427","0.0004","15.8147","0.0008","90","","123.025","0.003","90","","1593.32","0.16","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H10 N2 O2 -","- C8 H10 N2 O2 -","- C64 H80 N16 O16 -","8","1","","Fesenko, Anastasia A.; Grigoriev, Mikhail S.; Shutalev, Anatoly D.","Nucleophile-Mediated Ring Expansion of 5-Acyl-substituted 4-Mesyloxymethyl-1,2,3,4-tetrahydropyrimidin-2-ones in the Synthesis of 7-Membered Analogues of Biginelli Compounds and Related Heterocycles.","The Journal of organic chemistry","2017","82","15","8085","8110","10.1021/acs.joc.7b01348","","","0.71073","MoKα","","0.1058","0.0579","","","0.1402","0.1645","","","","","","0.992","","","","has coordinates","236276","2020-10-21","18:00:00",""
"4037522","11.7967","0.0003","15.6496","0.0004","17.021","0.0004","90","","98.243","0.001","90","","3109.85","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","871","","","- C33 H21 B F15 N S -","- C33 H21 B F15 N S -","- C132 H84 B4 F60 N4 S4 -","4","1","","Issaian, Adena; Faizi, Darius J.; Bailey, Johnathan O.; Mayer, Peter; Berionni, Guillaume; Singleton, Daniel A.; Blum, Suzanne A.","Mechanistic Studies of Formal Thioboration Reactions of Alkynes.","The Journal of organic chemistry","2017","82","15","8165","8178","10.1021/acs.joc.7b01500","","","0.71073","MoKα","","0.0505","0.0381","","","0.0848","0.0906","","","","","","1.051","","","","has coordinates","236278","2020-10-21","18:00:00",""
"4037523","9.8635","0.0002","18.7943","0.0005","14.1422","0.0003","90","","92.769","0.001","90","","2618.59","0.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","843","","","- C30 H12 B F15 S -","- C30 H12 B F15 S -","- C120 H48 B4 F60 S4 -","4","1","","Issaian, Adena; Faizi, Darius J.; Bailey, Johnathan O.; Mayer, Peter; Berionni, Guillaume; Singleton, Daniel A.; Blum, Suzanne A.","Mechanistic Studies of Formal Thioboration Reactions of Alkynes.","The Journal of organic chemistry","2017","82","15","8165","8178","10.1021/acs.joc.7b01500","","","0.71073","MoKα","","0.0424","0.0333","","","0.0838","0.0901","","","","","","1.061","","","","has coordinates","236278","2020-10-21","18:00:00",""
"4037524","10.053","0.007","17.077","0.014","18.207","0.014","113.715","0.013","98.367","0.003","99.656","0.013","2742","4","103","","103","","","","","","","","","4","P -1","-P 1","2","","","","- C67 H47 Cl7 S4 -","- C67 H47 Cl7 S4 -","- C134 H94 Cl14 S8 -","2","1","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Laterally π-Extended Dithia[6]helicenes with Heptagons: Saddle-Helix Hybrid Molecules.","The Journal of organic chemistry","2017","82","15","7745","7749","10.1021/acs.joc.7b01540","","","0.71075","MoKα","","0.0997","0.0635","","","0.1759","0.1922","","","","","","1.025","","","","has coordinates,has disorder","236280","2020-10-21","18:00:00",""
"4037525","20.5308","0.001","18.073","0.007","15.785","0.007","90","","127.463","0.008","90","","4649","3","123","","123","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H50 S4 -","- C66 H50 S4 -","- C264 H200 S16 -","4","0.5","","Fujikawa, Takao; Segawa, Yasutomo; Itami, Kenichiro","Laterally π-Extended Dithia[6]helicenes with Heptagons: Saddle-Helix Hybrid Molecules.","The Journal of organic chemistry","2017","82","15","7745","7749","10.1021/acs.joc.7b01540","","","0.71075","MoKα","","0.0613","0.0458","","","0.1191","0.1263","","","","","","0.954","","","","has coordinates","236280","2020-10-21","18:00:00",""
"4037526","10.1911","0.0007","10.8544","0.0009","16.4245","0.0013","78.465","0.007","87.134","0.006","75.928","0.006","1726.7","0.2","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H15 F N2 O5 -","- C18 H15 F N2 O5 -","- C72 H60 F4 N8 O20 -","4","2","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.0869","0.0501","","","0.1086","0.1324","","","","","","1.013","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037527","11.2067","0.001","9.8995","0.0007","12.7175","0.0008","90","","92.537","0.007","90","","1409.51","0.18","293","2","293.15","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H13 N O4 -","- C16 H13 N O4 -","- C64 H52 N4 O16 -","4","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.0708","0.0456","","","0.0986","0.1162","","","","","","1.029","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037528","8.1086","0.0008","9.7037","0.001","11.3963","0.0012","108.463","0.01","90.621","0.008","108.39","0.009","800.98","0.16","293","2","293.15","","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 N O2 S -","- C18 H18 N O2 S -","- C36 H36 N2 O4 S2 -","2","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","","0.71073","MoKα","","0.113","0.0817","","","0.2263","0.2667","","","","","","1.036","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4037529","13.5394","0.0007","5.6134","0.0002","19.1987","0.001","90","","107.79","0.006","90","","1389.37","0.12","293","2","","","","","","","","","","3","I 1 2 1","I 2y","5","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C72 H64 O8 -","4","1","","Miao, Maozhong; Luo, Yi; Xu, Huaping; Jin, Mengchao; Chen, Zhengkai; Xu, Jianfeng; Ren, Hongjun","Strain-Promoted Nitration of 3-Cyclopropylideneprop-2-en-1-ones and the Application for the Synthesis of Pyrroles.","The Journal of organic chemistry","2017","82","23","12224","12237","10.1021/acs.joc.7b02087","","x-ray","1.54184","CuKα","","0.0392","0.0371","","","0.1011","0.104","","","","","","1.0305","","","","has coordinates","236282","2020-10-21","18:00:00",""
"4038946","11.154","0.0005","14.2902","0.0006","19.7538","0.0009","100.214","0.002","90.119","0.002","95.774","0.002","3082.4","0.2","150","","150","","","","","","","","Synthesized by the authors. See text","5","P -1","-P 1","2","","6,6',6'',6'''-[6,12-dihydroindeno[1,2-b]fluorene -6,6,12,12-tetrayltetrakis(4,1-phenylene)] tetrakis(1,3,5-triazine-2,4-diamine) 1,4-dioxane solvate dimethyl sulfoxide solvate","","- C108 H162 N20 O26 S8 -","- C108 H162 N20 O26 S8 -","- C108 H162 N20 O26 S8 -","1","0.5","","Beaudoin, Daniel; Blair-Pereira, Joao-Nicolas; Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Predictably Ordered Open Hydrogen-Bonded Networks Built from Indeno[1,2-b]fluorenes.","The Journal of organic chemistry","2017","82","16","8536","8547","10.1021/acs.joc.7b01333","","","1.54178","CuKα","","0.1664","0.1488","","","0.4111","0.4329","","","","","","1.796","","","","has coordinates,has disorder","260363","2021-01-02","04:07:30",""
"4038947","7.8092","0.0003","17.4192","0.0007","6.8514","0.0003","90","","95.335","0.002","90","","927.96","0.07","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","[1,2,5]thiadiazolo[3',4':5,6]naphtho[1,2-c][1,2,5]thiadiazole","","- C10 H4 N4 S2 -","- C10 H4 N4 S2 -","- C40 H16 N16 S8 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.54178","CuKα","","0.0501","0.0492","","","0.1643","0.1653","","","","","","1.142","","","","has coordinates","260366","2021-01-02","15:12:25",""
"4038948","3.8045","0.0001","9.6098","0.0003","16.4052","0.0004","90","","92.4211","0.0014","90","","599.25","0.03","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","[1,2,5]thiadiazolo[3',4':5,6]anthra[1,2-c][1,2,5]thiadiazole-6,12-dione","","- C14 H4 N4 O2 S2 -","- C14 H4 N4 O2 S2 -","- C28 H8 N8 O4 S4 -","2","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.049","0.0458","","","0.1244","0.128","","","","","","1.127","","","","has coordinates","260367","2021-01-02","15:12:37",""
"4038949","13.1602","0.0007","12.283","0.0006","14.3308","0.0007","90","","111.651","0.002","90","","2153.09","0.19","100","","100","","","","","","","","","4","P 1 2/c 1","-P 2yc","13","","10,10'-spirobi[[1,2,5]thiadiazolo[3',4':6,7] fluoreno[2,3-c][1,2,5]thiadiazole]","","- C25 H8 N8 S4 -","- C25 H8 N8 S4 -","- C100 H32 N32 S16 -","4","1","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0565","0.054","","","0.1294","0.1308","","","","","","1.06","","","","has coordinates","260368","2021-01-02","15:12:52",""
"4038950","16.3407","0.0003","16.3407","0.0003","19.0557","0.0004","90","","90","","90","","5088.22","0.17","100","","100","","","","","","","","","4","I -4 2 d","I -4 2bw","122","","6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27]nonacosa -2,4,7,9,12,14,17,19,21,23,26,28-dodecaene dimethyl sulfoxide solvate","","- C20 H8 N6 S3 -","- C20 H8 N6 S3 -","- C160 H64 N48 S24 -","8","0.5","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0377","0.036","","","0.1051","0.1066","","","","","","1.106","","","","has coordinates","260369","2021-01-02","15:13:02",""
"4038951","18.9035","0.0009","18.9035","0.0009","18.9035","0.0009","90","","90","","90","","6755","0.6","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","bis(6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27] nonacosa-2(10),3,8,12(20),13,18,21(29),22,27-nonaene) C60 fullerene mesitylene solvate","","- C109 H28 N12 S6 -","- C109.014 H28.0016 N12 S6 -","- C436.055 H112.006 N48 S24 -","4","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.1284","0.1142","","","0.2762","0.2868","","","","","","1.083","","","","has coordinates,has disorder","260370","2021-01-02","15:13:46",""
"4038952","19.504","0.0003","19.504","0.0003","19.504","0.0003","90","","90","","90","","7419.4","0.2","100","","100","","","","","","","","","4","P a -3","-P 2ac 2ab 3","205","","bis(6,16,25-trithia-5,7,15,17,24,26-hexaazaoctacyclo [9.9.9.02,10.04,8.012,20.014,18.021,29.023,27]nonacosa -2(10),3,8,12(20),13,18,21(29),22,27-nonaene) C70 fullerene carbon disulfide solvate","","- C113 H16 N12 S12 -","- C112.976 H16 N12 S12 -","- C451.905 H64 N48 S48 -","4","0.166667","","Langis-Barsetti, Sophie; Maris, Thierry; Wuest, James D.","Molecular Organization of 2,1,3-Benzothiadiazoles in the Solid State.","The Journal of organic chemistry","2017","82","","5034","5045","10.1021/acs.joc.6b02778","","x-ray","1.34139","GaKα","","0.0686","0.0641","","","0.1724","0.1774","","","","","","1.208","","","","has coordinates,has disorder","260371","2021-01-02","15:14:12",""