# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-21T14:22:02+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Organic Chemistry') AND volume = 77 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
"4026818","9.799","0.005","34.783","0.016","13.065","0.007","90","","124.708","0.012","90","","3661","3","153","2","153","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 -","- C26 H28 -","- C208 H224 -","8","2","","Yixi Yang; Michael R. Mannion; Louise N. Dawe; Christina M. Kraml; Robert A. Pascal; Graham J. Bodwell","Synthesis, Crystal Structure, and Resolution of [10](1,6)Pyrenophane: An Inherently Chiral [n]Cyclophane","Journal of Organic Chemistry","2012","77","","57","67","10.1021/jo201013q","","","0.71075","MoKα","","0.1324","0.124","","","0.35","0.3563","","","","","","1.197","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026819","7.3519","0.0019","10.559","0.003","12.901","0.003","73.766","0.016","73.458","0.017","80.23","0.02","917.3","0.4","153","2","153","2","","","","","","","","2","P -1","-P 1","2","","","","- C26 H28 -","- C26 H28 -","- C52 H56 -","2","1","","Yixi Yang; Michael R. Mannion; Louise N. Dawe; Christina M. Kraml; Robert A. Pascal; Graham J. Bodwell","Synthesis, Crystal Structure, and Resolution of [10](1,6)Pyrenophane: An Inherently Chiral [n]Cyclophane","Journal of Organic Chemistry","2012","77","","57","67","10.1021/jo201013q","","","0.71075","MoKα","","0.0771","0.0659","","","0.1559","0.1655","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026820","10.776","0.002","12.517","0.003","17.465","0.004","90","","90","","90","","2355.7","0.9","273","2","273","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C28 H18 B F2 N3 S2 -","- C28 H18 B F2 N3 S2 -","- C112 H72 B4 F8 N12 S8 -","4","1","","Xinfu Zhang; Haibo Yu; Yi Xiao","Replacing Phenyl Ring with Thiophene: An Approach to Longer Wavelength Aza-dipyrromethene Boron Difluoride (Aza-BODIPY) Dyes","Journal of Organic Chemistry","2012","77","","669","673","10.1021/jo201413b","","","0.71073","MoKα","","0.0508","0.043","","","0.1488","0.1689","","","","","","0.55","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026821","12.984","0.011","16.31","0.013","21.56","0.017","90","","90","","90","","4566","6","273","2","273","2","","","","","","","","6","P c a 21","P 2c -2ac","29","","","","- C48 H28 B2 F4 N6 S8 -","- C48 H28 B2 F4 N6 S8 -","- C192 H112 B8 F16 N24 S32 -","4","1","","Xinfu Zhang; Haibo Yu; Yi Xiao","Replacing Phenyl Ring with Thiophene: An Approach to Longer Wavelength Aza-dipyrromethene Boron Difluoride (Aza-BODIPY) Dyes","Journal of Organic Chemistry","2012","77","","669","673","10.1021/jo201413b","","","0.71073","MoKα","","0.2149","0.0927","","","0.2352","0.2778","","","","","","0.999","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026822","26.3811","0.0009","6.9702","0.0003","11.4961","0.0005","90","","96.058","0.002","90","","2102.12","0.15","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C20 H27 I O6 -","- C20 H27 I O6 -","- C80 H108 I4 O24 -","4","1","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0335","0.0322","","","0.0824","0.0844","","","","","","1.042","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026823","12.6964","0.0003","10.2021","0.0003","16.7996","0.0003","90","","99.8944","0.0014","90","","2143.68","0.09","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H27 I O6 -","- C20 H27 I O6 -","- C80 H108 I4 O24 -","4","2","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0296","0.0273","","","0.0638","0.0666","","","","","","1.056","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026824","5.3633","0.0002","11.0398","0.0004","32.0423","0.0012","90","","90","","90","","1897.22","0.12","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","","Yuxin Qian; Jianhao Feng; Masood Parvez; Chang-Chun Ling","Unexpected Anomeric Selectivity of a 1-C-Arylglycal Donor in Kdo Glycoside Synthesis","Journal of Organic Chemistry","2012","77","","96","107","10.1021/jo201531j","","","0.71073","MoKα","","0.0975","0.0788","","","0.1756","0.1905","","","","","","1.21","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026825","19.9932","0.0019","19.5534","0.0018","12.3256","0.0012","90","","112.147","0.004","90","","4463","0.7","90","2","90","2","","","","","","","","5","C 1 c 1","C -2yc","9","","(2S,3S)-methyl 1-benzyl-5-oxo-2-phenyl-3-((S)-p-tolylsulfinyl) pyrrolidine-3-carboxylate","","- C26 H25 N O4 S -","- C26 H25 N O4 S -","- C208 H200 N8 O32 S8 -","8","2","","James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw","Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules","Journal of Organic Chemistry","2012","77","","160","172","10.1021/jo201541e","","","0.71073","MoKα","","0.036","0.0319","","","0.077","0.0795","","","","","","1.017","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026826","14.634","0.0004","16.3527","0.0004","13.0268","0.0003","90","","92.626","0.002","90","","3114.11","0.13","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 51, Tricycle bis-p-bromophenylamide","","","- C35 H33 Br2 N3 O4 -","- C35 H31 Br2 N3 O4 -","- C140 H124 Br8 N12 O16 -","4","1","","James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw","Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules","Journal of Organic Chemistry","2012","77","","160","172","10.1021/jo201541e","","","1.54178","CuKα","","0.0574","0.0445","","","0.1088","0.1144","","","","","","1.062","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026827","16.7047","0.001","10.6314","0.0007","10.7298","0.0007","90","","112.237","0.002","90","","1763.8","0.2","90","2","90","2","","","","","","","","4","C 1 c 1","C -2yc","9","Compound 53, tetracycle","","","- C22 H19 N O4 -","- C22 H19 N O4 -","- C88 H76 N4 O16 -","4","1","","James E. Biggs-Houck; Rebecca L. Davis; Jingqiang Wei; Brandon Q. Mercado; Marilyn M. Olmstead; Dean J. Tantillo; Jared T. Shaw","Carbon-Carbon Bond-Forming Reactions of α-Thioaryl Carbonyl Compounds for the Synthesis of Complex Heterocyclic Molecules","Journal of Organic Chemistry","2012","77","","160","172","10.1021/jo201541e","","","1.54178","CuKα","","0.0299","0.0299","","","0.0845","0.0845","","","","","","1.054","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026828","20.283","0.0009","11.0569","0.0008","7.3888","0.0004","90","","100.988","0.003","90","","1626.69","0.16","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 N2 -","- C24 H10 N2 -","- C96 H40 N8 -","4","0.5","","Paul N. W. Baxter; Abdelaziz Al Ouahabi; Jean-Paul Gisselbrecht; Lydia Brelot; Alexandre Varnek","Electronic, Spectroscopic, and Ion-Sensing Properties of a Dehydro[m]pyrido[14]- and [15]annulene Isomer Library","Journal of Organic Chemistry","2012","77","","126","142","10.1021/jo201595s","","","0.71073","MoKα","","0.0651","0.0435","","","0.1126","0.1381","","","","","","1.099","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026829","7.9834","0.0004","19.6905","0.0008","11.172","0.0004","90","","113.113","0.003","90","","1615.24","0.12","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 N2 -","- C24 H10 N2 -","- C96 H40 N8 -","4","1","","Paul N. W. Baxter; Abdelaziz Al Ouahabi; Jean-Paul Gisselbrecht; Lydia Brelot; Alexandre Varnek","Electronic, Spectroscopic, and Ion-Sensing Properties of a Dehydro[m]pyrido[14]- and [15]annulene Isomer Library","Journal of Organic Chemistry","2012","77","","126","142","10.1021/jo201595s","","","0.71073","MoKα","","0.0878","0.0526","","","0.1268","0.1524","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026830","6.9562","0.001","6.9956","0.001","34.129","0.005","90","","90","","90","","1660.8","0.4","133","2","133","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N3 O6 P -","- C15 H20 N3 O6 P -","- C60 H80 N12 O24 P4 -","4","1","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.0715","0.0505","","","0.0969","0.1045","","","","","","0.903","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026831","8.2341","0.0009","8.3291","0.0009","12.9089","0.0014","90","","104.66","0.002","90","","856.5","0.16","133","2","133","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N5 O4 P -","- C15 H16 N5 O4 P -","- C30 H32 N10 O8 P2 -","2","1","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.0781","0.0514","","","0.1054","0.1182","","","","","","1.036","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026832","5.7894","0.0015","43.207","0.011","6.81","0.0018","90","","112.184","0.004","90","","1577.4","0.7","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H16 N5 O4 P -","- C15 H16 N5 O4 P -","- C60 H64 N20 O16 P4 -","4","2","","Ivan S. Krylov; Valeria M. Zakharova; Michaela Serpi; Ralf Haiges; Boris A. Kashemirov; Charles E. McKenna","Structure of Cyclic Nucleoside Phosphonate Ester Prodrugs: An Inquiry","Journal of Organic Chemistry","2012","77","","684","689","10.1021/jo201735f","","","0.71073","MoKα","","0.1105","0.0498","","","0.0554","0.0657","","","","","","0.733","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026833","12.7315","0.0016","7.0769","0.0009","13.982","0.0018","90","","93.502","0.002","90","","1257.4","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","BI2","'BI2' ?","","- C29 H34 N2 O3 S -","- C29 H34 N2 O3 S -","- C58 H68 N4 O6 S2 -","2","1","","Yongda Zhang; Sampada Chitale; Navneet Goyal; Guisheng Li; Zhengxu S. Han; Sherry Shen; Shengli Ma; Nelu Grinberg; Heewon Lee; Bruce Z. Lu; Chris H. Senanayake","Asymmetric Synthesis of Sulfinamides Using (-)-Quinine as Chiral Auxiliary","Journal of Organic Chemistry","2012","77","","690","695","10.1021/jo201825b","","","0.71073","MoKα","","0.1219","0.0685","","","0.1284","0.1483","","","","","","1.035","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026834","10.7148","0.0006","20.2974","0.0008","7.5927","0.0004","90","","104.928","0.007","90","","1595.55","0.15","220","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C14 H17 Cl N4 O2 S -","- C14 H17 Cl N4 O2 S -","- C56 H68 Cl4 N16 O8 S4 -","4","1","","Gwenaelle Bouscary-Deforges; Agnes Bombrun; John Kallikat Augustine; Gérald Bernardinelli; Anna Quattropani","Regioselective Synthesis of 2,8-Disubstituted 4-Aminopyrido[3,2-d]pyrimidine-6-carboxylic Acid Methyl Ester Compounds","Journal of Organic Chemistry","2012","77","","243","252","10.1021/jo201834d","","","0.71073","MoKα","","","0.031","","","","0.031","","","","","","1.13","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026835","7.4207","0.0005","17.8547","0.0009","11.9918","0.0009","90","","100.761","0.008","90","","1560.91","0.18","150","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N4 O2 S -","- C14 H17 Cl N4 O2 S -","- C56 H68 Cl4 N16 O8 S4 -","4","1","","Gwenaelle Bouscary-Deforges; Agnes Bombrun; John Kallikat Augustine; Gérald Bernardinelli; Anna Quattropani","Regioselective Synthesis of 2,8-Disubstituted 4-Aminopyrido[3,2-d]pyrimidine-6-carboxylic Acid Methyl Ester Compounds","Journal of Organic Chemistry","2012","77","","243","252","10.1021/jo201834d","","","0.71073","MoKα","","","0.03","","","","0.03","","","","","","1.28","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026836","10.0851","0.0004","10.1437","0.0003","15.5003","0.0007","71.158","0.004","71.357","0.004","87.168","0.003","1419.4","0.11","297","2","297","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C68 H64 O16 -","4","2","","Leire Arias; Yosu Vara; Fernando P. Cossío","Regioselective Preparation of Benzo[b]furans from Phenols and α-Bromoketones","Journal of Organic Chemistry","2012","77","","266","275","10.1021/jo201841y","","x-ray","0.71073","MoKα","","0.1208","0.0535","","","0.1104","0.1309","","","","","","0.851","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026837","7.2747","0.0005","8.8758","0.0005","11.9601","0.0009","109.342","0.006","105.211","0.006","92.871","0.005","695.13","0.09","100","2","100","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C17 H16 O4 -","- C17 H16 O4 -","- C34 H32 O8 -","2","1","","Leire Arias; Yosu Vara; Fernando P. Cossío","Regioselective Preparation of Benzo[b]furans from Phenols and α-Bromoketones","Journal of Organic Chemistry","2012","77","","266","275","10.1021/jo201841y","","x-ray","0.71073","MoKα","","0.0537","0.0413","","","0.1059","0.1109","","","","","","0.977","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026838","10.432","0.002","10.465","0.0019","11.533","0.002","90.692","0.004","108.767","0.003","106.266","0.004","1137.2","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H21 Cl N2 O4 -","- C26 H21 Cl N2 O4 -","- C52 H42 Cl2 N4 O8 -","2","1","","Yi-Bo Nie; Long Wang; Ming-Wu Ding","Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles by a Sequential Aza-Wittig/Michael/Isomerization Reaction","Journal of Organic Chemistry","2012","77","","696","700","10.1021/jo201846w","","","0.71073","MoKα","","0.0856","0.0585","","","0.1144","0.1258","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026839","24.35","0.009","4.8391","0.0019","19.731","0.008","90","","109.888","0.006","90","","2186.3","1.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C112 H88 N8 O24 -","8","1","","Weihua Chen; Eric B. Twum; Linlin Li; Brian D. Wright; Peter L. Rinaldi; Yi Pang","Rotational Energy Barrier of 2-(2',6'-Dihydroxyphenyl)benzoxazole: A Case Study by NMR","Journal of Organic Chemistry","2012","77","","285","290","10.1021/jo201890f","","","0.71073","MoKα","","0.0461","0.0436","","","0.1205","0.1231","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026840","16.301","0.01","4.863","0.003","13.818","0.008","90","","101.652","0.009","90","","1072.8","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 N O3 -","- C13 H9 N O3 -","- C52 H36 N4 O12 -","4","1","","Weihua Chen; Eric B. Twum; Linlin Li; Brian D. Wright; Peter L. Rinaldi; Yi Pang","Rotational Energy Barrier of 2-(2',6'-Dihydroxyphenyl)benzoxazole: A Case Study by NMR","Journal of Organic Chemistry","2012","77","","285","290","10.1021/jo201890f","","","0.71073","MoKα","","0.11","0.0679","","","0.1644","0.1784","","","","","","0.89","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026841","6.959","0.0015","17.159","0.003","19.174","0.004","90","","90","","90","","2289.6","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 Cl2 N2 O4 -","- C23 H24 Cl2 N2 O4 -","- C92 H96 Cl8 N8 O16 -","4","1","","Xianyou Peng; Peijun Li; Yian Shi","Synthesis of (+)-Ambrisentan via Chiral Ketone-Catalyzed Asymmetric Epoxidation","Journal of Organic Chemistry","2012","77","","701","703","10.1021/jo201927m","","","0.71073","MoKα","","0.0817","0.069","","","0.1113","0.118","","","","","","1.119","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026842","27.8608","0.0008","27.8608","0.0008","16.1433","0.0011","90","","90","","120","","10852","0.9","100","2","100","2","","","","","","","","2","R -3 :H","-R 3","148","","","","- C66 H56 -","- C66 H56 -","- C594 H504 -","9","0.5","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.0557","0.047","","","0.1271","0.1366","","","","","","1.057","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026843","10.3497","0.0001","18.0455","0.0002","28.4735","0.0003","90","","96.591","0.001","90","","5282.72","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C68 H80 O -","- C68 H80 O -","- C272 H320 O4 -","4","1","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.1079","0.0684","","","0.1909","0.2147","","","","","","1.124","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026844","24.3175","0.0005","22.5604","0.0005","27.6744","0.0006","90","","90","","90","","15182.5","0.6","99","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","(Diethyl ether)tris(tetrahydrofuran)lithium (diethyl ether)lithium tris[(4,4'-bis(1,1- dimethylethyl)biphenyl-2,2'-diyl]zirconate(IV) (diethyl ether) hemisolvate","","","- C82 H121 Li2 O5.5 Zr -","- C82 H121 Li2 O5.5 Zr -","- C656 H968 Li16 O44 Zr8 -","8","1","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.0782","0.05","","","0.1292","0.1428","","","","","","1.063","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026845","14.406","0.0006","15.0572","0.0006","15.9486","0.0006","72.458","0.003","77.005","0.003","78.846","0.003","3184.6","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,7,12,17,22,17-Hexakis(1,1-dimethylethyl)hexabenzo[a,c,k,m,u,w] trinaphthylene 1,2-dibromobenzene solvate","","- C84 H82 Br2 -","- C84 H82 Br2 -","- C168 H164 Br4 -","2","1","","Bharat Kumar; Christoph E. Strasser; Benjamin T. King","t-Butyl Biphenylation of o-Dibromoarenes: A Route to Soluble Polycyclic Aromatic Hydrocarbons","Journal of Organic Chemistry","2012","77","","311","316","10.1021/jo2019587","","","0.71073","MoKα","","0.1985","0.0841","","","0.1999","0.2378","","","","","","0.988","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026846","8.9649","0.0006","10.4999","0.0007","27.225","0.002","90","","90","","90","","2562.7","0.3","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl2 N O P Pd -","- C27 H30 Cl2 N O P Pd -","- C108 H120 Cl8 N4 O4 P4 Pd4 -","4","1","","Étienne Bélanger; Marie-France Pouliot; Marc-André Courtemanche; Jean-François Paquin","Design, Synthesis, and Applications of Potential Substitutes of t-Bu-Phosphinooxazoline in Pd-Catalyzed Asymmetric Transformations and Their Use for the Improvement of the Enantioselectivity in the Pd-Catalyzed Allylation Reaction of Fluorinated Allyl Enol Carbonates","Journal of Organic Chemistry","2012","77","","317","331","10.1021/jo2019653","","","1.54178","CuKα","","0.0164","0.0164","","","0.0451","0.0451","","","","","","1.079","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026847","16.6382","0.0016","13.2364","0.0014","15.3904","0.0016","90","","97.49","0.002","90","","3360.5","0.6","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 S2 -","- C20 H20 S2 -","- C160 H160 S16 -","8","2","","Vasily A. Migulin; Michael M. Krayushkin; Valery A. Barachevsky; Olga I. Kobeleva; Tatyana M. Valova; Konstantin A. Lyssenko","Synthesis and Characterization of Nonsymmetric Cyclopentene-Based Dithienylethenes","Journal of Organic Chemistry","2012","77","","332","340","10.1021/jo201966g","","","0.71073","MoKα","","0.0635","0.0448","","","0.1183","0.1283","","","","","","0.993","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026848","8.3268","0.0008","13.2672","0.0011","15.4463","0.0013","90","","97.4242","0.0017","90","","1692.1","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 S2 -","- C20 H20 S2 -","- C80 H80 S8 -","4","1","","Vasily A. Migulin; Michael M. Krayushkin; Valery A. Barachevsky; Olga I. Kobeleva; Tatyana M. Valova; Konstantin A. Lyssenko","Synthesis and Characterization of Nonsymmetric Cyclopentene-Based Dithienylethenes","Journal of Organic Chemistry","2012","77","","332","340","10.1021/jo201966g","","","0.71073","MoKα","","0.0512","0.0407","","","0.1137","0.1254","","","","","","0.941","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026849","7.0911","0.0008","10.8032","0.0012","34.798","0.005","90","","90","","90","","2665.8","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H29 N O9 S2 -","- C27 H29 N O9 S2 -","- C108 H116 N4 O36 S8 -","4","1","","Wen-Ju Bai; Jason C. Green; Thomas R. R. Pettus","Total Syntheses of ent-Heliespirones A and C","Journal of Organic Chemistry","2012","77","","379","387","10.1021/jo201971g","","","0.71073","MoKα","","0.038","0.0363","","","0.0911","0.092","","","","","","1.09","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026850","7.0653","0.0003","8.3781","0.0003","12.8601","0.0005","90","","105.228","0.001","90","","734.51","0.05","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H19 N O5 -","- C15 H19 N O5 -","- C30 H38 N2 O10 -","2","1","","Shanbao Yu; Qing-Qing Huang; Yu Luo; Wei Lu","Total Synthesis of Camptothecin and SN-38","Journal of Organic Chemistry","2012","77","","713","717","10.1021/jo201974f","","","0.71073","MoKα","","0.0258","0.025","","","0.0643","0.0651","","","","","","1.046","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026851","7.7761","0.0001","11.0405","0.0002","39.4167","0.0007","90","","90","","90","","3384","0.1","93.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H48 O6 Si -","- C37 H48 O6 Si -","- C148 H192 O24 Si4 -","4","1","","Sanjay S. Palimkar; Jun'ichi Uenishi; Hiromi Ii","Total Synthesis and Biological Evaluation of (-)-Apicularen A and Its Analogues","Journal of Organic Chemistry","2012","77","","388","399","10.1021/jo2019762","","","1.54187","CuKα","","","0.0575","","","","0.1431","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026852","9.713","0.0012","14.82","0.0014","11.4273","0.0014","90","","108.803","0.014","90","","1557.1","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O2 Se -","- C18 H18 O2 Se -","- C72 H72 O8 Se4 -","4","1","","Badaker M. Laloo; Hormi Mecadon; Md. Rumum Rohman; Iadeishisha Kharbangar; Icydora Kharkongor; Mantu Rajbangshi; Rishanlang Nongkhlaw; Bekington Myrboh","Reaction of Selenium Dioxide with Aromatic Ketones in the Presence of Boron Triflouride Etherate: A Protocol for the Synthesis of Triarylethanones","Journal of Organic Chemistry","2012","77","","707","712","10.1021/jo201985n","","","0.71073","MoKα","","0.0283","0.0201","","","0.0511","0.052","","","","","","1.016","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026853","9.5556","0.0001","13.4123","0.0002","14.4803","0.0003","90","","107.654","0.0007","90","","1768.43","0.05","90","","90","","","","","","","","","4","P 1 c 1","P -2yc","7","","","","- C20 H25 Al O -","- C20 H25 Al O -","- C80 H100 Al4 O4 -","4","2","","Kengo Yoshida; Taniyuki Furuyama; Chao Wang; Atsuya Muranaka; Daisuke Hashizume; Shuji Yasuike; Masanobu Uchiyama","Aluminepin: Aluminum Analogues of Borepin and Gallepin","Journal of Organic Chemistry","2012","77","","729","732","10.1021/jo201992q","","","0.71073","MoKα","","0.0687","0.0634","","","0.1939","0.1994","","","","","","1.103","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026854","26.5365","0.0006","32.739","0.0008","17.4054","0.0004","90","","98.344","0.001","90","","14961.4","0.6","150","2","150","2","","","","","","","synthesized by the authors","3","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 O12 -","- C36 H24 O12 -","- C576 H384 O192 -","16","4","","Miroslav Dudič; Ivana Císařová; Josef Michl","Synthesis of Hexadehydrotribenzo[a,e,i][12]annulenes by Acetylene Insertion into an Open-Chain Precursor","Journal of Organic Chemistry","2012","77","","68","74","10.1021/jo202016v","","","0.71073","MoKα","","0.1079","0.0543","","","0.147","0.1672","","","","","","0.885","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4026855","5.7182","0.0005","5.9604","0.0006","8.6336","0.0007","96.773","0.007","92.481","0.007","99.717","0.008","287.41","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C16 H16 O -","- C16 H16 O -","- C16 H16 O -","1","0.5","","Prasad Ganji; Hasim Ibrahim","Deoxygenation of Hydroquinones as a General Route to Norbornane-Fused Aromatic Systems: An Entry into Substituted and Functionalized Dimethano- and Methanoanthracenes","Journal of Organic Chemistry","2012","77","","511","518","10.1021/jo202023w","","","1.54184","CuKα","","0.0415","0.0385","","","0.0966","0.0993","","","","","","1.035","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026856","10.668","0.01","7.081","0.007","22.36","0.02","90","","93.847","0.013","90","","1685","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H15 Cl N2 -","- C22 H15 Cl N2 -","- C88 H60 Cl4 N8 -","4","1","","Shaukat Ali; Ying-Xiu Li; Saeed Anwar; Fang Yang; Zi-Sheng Chen; Yong-Min Liang","One-Pot Access to Indolo[2,3-b]quinolines by Electrophile-Triggered Cross-Amination/Friedel-Crafts Alkylation of Indoles with 1-(2-Tosylaminophenyl)ketones","Journal of Organic Chemistry","2012","77","","424","431","10.1021/jo202035p","","","0.71073","MoKα","","0.1266","0.0783","","","0.1925","0.2213","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026857","11.1092","0.0011","12.5174","0.0011","16.9785","0.0016","74.609","0.008","73.57","0.009","78.747","0.008","2164.9","0.4","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H56 O8 -","- C50 H55 O8 -","- C100 H110 O16 -","2","1","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.2228","0.113","","","0.2631","0.3049","","","","","","0.891","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026858","7.2962","0.0004","9.4","0.0004","16.2416","0.0008","85.924","0.004","84.034","0.004","72.977","0.004","1058.38","0.09","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H56 O8 -","- C50 H56 O8 -","- C50 H56 O8 -","1","0.5","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.0621","0.0482","","","0.1309","0.137","","","","","","1.101","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026859","7.2615","0.0009","23.068","0.003","25.8","0.002","90","","90","","90","","4321.7","0.8","293","2","293","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C25 H28 O4 -","- C25 H28 O4 -","- C200 H224 O32 -","8","0.5","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.0578","0.0432","","","0.1049","0.1104","","","","","","1.036","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026860","9.4735","0.0017","19.451","0.003","11.74","0.002","90","","104.73","0.02","90","","2092.2","0.6","150","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 O2 -","- C27 H22 O2 -","- C108 H88 O8 -","4","1","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.1328","0.0532","","","0.1345","0.1563","","","","","","0.803","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026861","9.4276","0.0002","17.4034","0.0004","24.8191","0.0007","90","","97.203","0.002","90","","4039.99","0.17","150","2","120","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H44 O4 -","- C54 H44 O4 -","- C216 H176 O16 -","4","1","","Sambasivarao Kotha; Arjun S. Chavan; Mobin Shaikh","Diversity-Oriented Approach to Macrocyclic Cyclophane Derivatives by Suzuki-Miyaura Cross-Coupling and Olefin Metathesis as Key Steps","Journal of Organic Chemistry","2012","77","","482","489","10.1021/jo2020714","","","0.71073","MoKα","","0.0577","0.0336","","","0.0679","0.0719","","","","","","0.875","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026862","12.4209","0.0013","5.64","0.0007","14.3079","0.0016","90","","96.562","0.008","90","","995.8","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H25 Cl O4 -","- C23 H25 Cl O4 -","- C46 H50 Cl2 O8 -","2","1","","Jacqueline Jiménez; Aitor Landa; Aitziber Lizarraga; Miguel Maestro; Antonia Mielgo; Mikel Oiarbide; Irene Velilla; Claudio Palomo","Enantio- and Diastereoselective Organocatalytic α-Alkylation of Aldehydes with 3-Substituted 2-(Bromomethyl)acrylates","Journal of Organic Chemistry","2012","77","","747","753","10.1021/jo202073n","","","0.71073","MoKα","","0.106","0.0512","","","0.093","0.124","","","","","","0.905","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026863","30.4865","0.0006","30.4865","0.0006","12.0383","0.0004","90","","90","","120","","9689.7","0.4","173","2","173","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C41 H51.17 N5 O14.33 P2.5 -","- C41 H41 N5 O14.3333 P2.5 -","- C369 H369 N45 O129 P22.5 -","9","1","","Vicente Martí-Centelles; M. Isabel Burguete; Francisco Galindo; M. Angeles Izquierdo; D. Krishna Kumar; Andrew J.P. White; Santiago V. Luis; Ramón Vilar","Fluorescent Acridine-Based Receptors for H2PO4-","Journal of Organic Chemistry","2012","77","","490","500","10.1021/jo202077v","","","0.71073","MoKα","","0.1238","0.0868","","","0.2318","0.2622","","","","","","1.018","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026864","10.2834","0.0009","7.4809","0.0006","10.1672","0.0008","90","","110.478","0.01","90","","732.73","0.11","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(pinacolate)diborane(4)","4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl-4',4',5', 5'-tetramethyl-1',3',2'-dioxaborolane","","- C12 H24 B2 O4 -","- C12 H24 B2 O4 -","- C24 H48 B4 O8 -","2","0.5","","Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State","Journal of Organic Chemistry","2012","77","","785","789","10.1021/jo202127c","","","0.71073","MoKα","","0.0455","0.0399","","","0.1111","0.1194","","","","","","1.03","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026865","10.3682","0.0003","16.4505","0.0005","19.7145","0.0007","90","","91.028","0.001","90","","3362","0.18","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C34 H56 B2 N2 O4 -","- C34 H56 B2 N2 O4 -","- C136 H224 B8 N8 O16 -","4","1","","Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State","Journal of Organic Chemistry","2012","77","","785","789","10.1021/jo202127c","","","0.71073","MoKα","","0.0701","0.0411","","","0.0932","0.1052","","","","","","1.017","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026866","16.6584","0.0004","10.492","0.0002","19.4579","0.0004","90","","112.753","0.001","90","","3136.2","0.12","120","2","120","2","","","","","","","","5","P 1 2/n 1","-P 2yac","13","","tetra(n-butyl)phosphonium bis(1,1,2,2-tetramethyl-1,2-diolato)borate","","- C28 H60 B O4 P -","- C28 H60 B O4 P -","- C112 H240 B4 O16 P4 -","4","1","","Christian Kleeberg; Andrew G. Crawford; Andrei S. Batsanov; Paul Hodgkinson; David C. Apperley; Man Sing Cheung; Zhenyang Lin; Todd B. Marder","Spectroscopic and Structural Characterization of the CyNHC Adduct of B2pin2 in Solution and in the Solid State","Journal of Organic Chemistry","2012","77","","785","789","10.1021/jo202127c","","","0.71073","MoKα","","0.06","0.0408","","","0.0952","0.1077","","","","","","1.005","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026867","5.8808","0.0002","11.1665","0.0002","21.9865","0.0006","90","","90","","90","","1443.81","0.07","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O5 -","- C15 H20 O5 -","- C60 H80 O20 -","4","1","","Jennifer Peed; Iwan R. Davies; Lucy R. Peacock; James E. Taylor; Gabriele Kociok-Köhn; Steven D. Bull","Dihydroxylation-Based Approach for the Asymmetric Syntheses of Hydroxy-γ-butyrolactones","Journal of Organic Chemistry","2012","77","","543","555","10.1021/jo2021289","","","0.71073","MoKα","","0.0555","0.0408","","","0.0915","0.0981","","","","","","1.079","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026868","23.18","0.03","5.353","0.006","12.036","0.013","90","","90.93","0.03","90","","1493","3","93","2","93","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C17 H18 O5 -","- C17 H18 O5 -","- C68 H72 O20 -","4","1","","Christopher J. Bartlett; David P. Day; Yohan Chan; Steven M. Allin; Michael J. McKenzie; Alexandra M. Z. Slawin; Philip C. Bulman Page","Enantioselective Total Synthesis of (+)-Scuteflorin A Using Organocatalytic Asymmetric Epoxidation","Journal of Organic Chemistry","2012","77","","772","774","10.1021/jo2021407","","","0.71073","MoKα","","0.2189","0.1817","","","0.4014","0.4379","","","","","","1.187","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026869","9.5539","0.0002","11.8301","0.0002","22.8098","0.0006","90","","90","","90","","2578.05","0.1","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br N2 O3 S2 -","- C27 H23 Br N2 O3 S2 -","- C108 H92 Br4 N8 O12 S8 -","4","1","","Alma Viso; Roberto Fernández de la Pradilla; Mercedes Ureña; Robert H. Bates; Miguel A. del Águila; Ignacio Colomer","An Approach to the Stereoselective Synthesis of Enantiopure Dihydropyrroles and Aziridines from a Common Sulfinyl-Sulfinamide Intermediate","Journal of Organic Chemistry","2012","77","","525","542","10.1021/jo202144k","","","1.54178","CuKα","","0.0238","0.0235","","","0.0592","0.0595","","","","","","1.081","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026870","8.9673","0.0002","18.5999","0.0004","24.5171","0.0006","90","","90","","90","","4089.23","0.16","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C11 H18 O2 -","- C11 H18 O2 -","- C176 H288 O32 -","16","2","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.0624","0.0425","","","0.1153","0.1473","","","","","","1.055","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026871","6.5778","0.0009","9.9611","0.0014","16.789","0.002","85.436","0.007","84.148","0.007","83.784","0.006","1085.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H34 O4 Si -","- C21 H34 O4 Si -","- C42 H68 O8 Si2 -","2","1","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.1563","0.084","","","0.2162","0.2588","","","","","","1.027","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026872","6.8505","0.0004","9.2832","0.0005","18.4577","0.0011","77.288","0.001","84.422","0.001","84.451","0.001","1136.18","0.11","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H38 O4 Si -","- C22 H38 O4 Si -","- C44 H76 O8 Si2 -","2","1","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.0368","0.031","","","0.0862","0.0966","","","","","","1.11","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026873","19.8762","0.0005","19.8762","0.0005","10.665","0.0006","90","","90","","90","","4213.4","0.3","295","2","295","2","","","","","","","","4","P 4/n :2","-P 4a","85","","","","- C16 H23 Cl3 O4 -","- C16 H23 Cl3 O4 -","- C128 H184 Cl24 O32 -","8","1","","Hung-Yi Lee; Chin-Kang Sha","Stereoselective Total Synthesis of (\±)-Peribysin E","Journal of Organic Chemistry","2012","77","","598","605","10.1021/jo2021604","","","0.71073","MoKα","","0.1132","0.0596","","","0.1635","0.192","","","","","","1.01","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026874","8.402","0.003","11.908","0.004","13.721","0.004","90","","114.964","0.018","90","","1244.5","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N4 O4 -","- C12 H16 N4 O4 -","- C48 H64 N16 O16 -","4","1","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0498","0.0403","","","0.0741","0.0754","","","","","","2.366","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026875","12.4218","0.0007","11.3954","0.0007","8.1359","0.0005","90","","90","","90","","1151.65","0.12","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C11 H14 N4 O4 -","- C11 H14 N4 O4 -","- C44 H56 N16 O16 -","4","0.5","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0395","0.0374","","","0.1023","0.1042","","","","","","1.058","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026876","10.0897","0.0008","10.5987","0.0009","6.5148","0.0005","90","","90","","90","","696.68","0.1","293","2","293","2","","","","","","","","4","P n n 2","P 2 -2n","34","","","","- C13 H18 N4 O6 -","- C13 H12 N4 O6 -","- C26 H24 N8 O12 -","2","0.5","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0449","0.0433","","","0.1289","0.132","","","","","","0.81","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026877","20.2298","0.0008","33.2253","0.0011","29.4252","0.001","90","","95.186","0.002","90","","19696.9","1.2","273","2","273","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C135 H258 Cl6 K6 N60 O87 -","- C135 H148 Cl6 K6 N60 O87 -","- C540 H592 Cl24 K24 N240 O348 -","4","1","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.1498","0.087","","","0.2507","0.2885","","","","","","1.052","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026878","12.6912","0.0005","12.5739","0.0005","23.0762","0.001","90","","98.67","0.002","90","","3640.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C116 H208 N48 O61 -","- C116 H208 N48 O61 -","- C116 H208 N48 O61 -","1","0.25","","Feng Wu; Li-Hui Wu; Xin Xiao; Yun-Qian Zhang; Sai-Feng Xue; Zhu Tao; Anthony I. Day","Locating the Cyclopentano Cousins of the Cucurbit[n]uril Family","Journal of Organic Chemistry","2012","77","","606","611","10.1021/jo2021778","","","0.71073","MoKα","","0.0882","0.0655","","","0.1769","0.1948","","","","","","1.058","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026879","9.0544","0.0005","9.442","0.0006","11.9252","0.0008","92.914","0.005","101.077","0.005","108.534","0.005","941.73","0.11","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H4 F18 N4 O -","- C12 H4 F18 N4 O -","- C24 H8 F36 N8 O2 -","2","1","","Igor I. Gerus; Roman X. Mironetz; Ivan S. Kondratov; Andrei V. Bezdudny; Yurii V. Dmytriv; Oleg V. Shishkin; Viktoriia S. Starova; Olga A. Zaporozhets; Andrey A. Tolmachev; Pavel K. Mykhailiuk","""Reported, but Still Unknown."" A Closer Look into 3,4-Bis- and 3,4,5-Tris(trifluoromethyl)pyrazoles","Journal of Organic Chemistry","2012","77","","47","56","10.1021/jo202305c","","","0.71073","MoKα","","0.0814","0.0401","","","0.0865","0.0926","","","","","","0.814","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026880","16.463","0.0005","12.5288","0.0003","21.5826","0.0006","90","","111.568","0.003","90","","4140","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H2 F6 N2 -","- C5 H2 F6 N2 -","- C120 H48 F144 N48 -","24","6","","Igor I. Gerus; Roman X. Mironetz; Ivan S. Kondratov; Andrei V. Bezdudny; Yurii V. Dmytriv; Oleg V. Shishkin; Viktoriia S. Starova; Olga A. Zaporozhets; Andrey A. Tolmachev; Pavel K. Mykhailiuk","""Reported, but Still Unknown."" A Closer Look into 3,4-Bis- and 3,4,5-Tris(trifluoromethyl)pyrazoles","Journal of Organic Chemistry","2012","77","","47","56","10.1021/jo202305c","","","0.71073","MoKα","","0.104","0.0497","","","0.1039","0.1201","","","","","","0.984","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026881","9.4945","0.0019","10.87","0.002","12.264","0.003","90","","111.75","0.03","90","","1175.6","0.5","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 Br N O -","- C27 H26 Br N O -","- C54 H52 Br2 N2 O2 -","2","1","","Kyoung Hee Kang; Junghwan Do; Yong Sun Park","Asymmetric Synthesis oftrans-2,3-Disubstituted Indoline Derivatives","Journal of Organic Chemistry","2012","77","","808","812","10.1021/jo2023526","","","0.71073","MoKα","","0.0836","0.0466","","","0.1105","0.1485","","","","","","1.073","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026882","7.8863","0.0002","23.7456","0.0005","9.0571","0.0002","90","","97.213","0.003","90","","1682.65","0.07","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C76 H96 O16 -","4","1","","Jens Cordes; Frederick Calo; Katie Anderson; Toni Pfaffeneder; Sylvain Laclef; Andrew J. P. White; Anthony G. M. Barrett","Total Syntheses of Angelicoin A, Hericenone J, and Hericenol A via Migratory Prenyl- and Geranylation-Aromatization Sequences","Journal of Organic Chemistry","2012","77","","652","657","10.1021/jo202354j","","","0.71073","MoKα","","0.0689","0.0502","","","0.127","0.1367","","","","","","1.055","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026883","25.4291","0.0008","10.2386","0.0003","20.0586","0.0007","90","","91.039","0.001","90","","5221.6","0.3","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H22 Fe N2 O4 -","- C33 H22 Fe N2 O4 -","- C264 H176 Fe8 N16 O32 -","8","2","","Li-Jun Chen; Quan-Jie Li; Jiuming He; Hongwei Tan; Zeper Abliz; Hai-Bo Yang","Design and Construction of Endo-Functionalized Multiferrocenyl Hexagons via Coordination-Driven Self-Assembly and Their Electrochemistry","Journal of Organic Chemistry","2012","77","","1148","1153","10.1021/jo201979d","","","0.71073","MoKα","","0.0331","0.0285","","","0.0732","0.0765","","","","","","1.047","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026884","8.009","0.014","11.045","0.019","11.59","0.02","113.247","0.018","105.854","0.018","97.89","0.018","871","3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H11 Br N2 O3 -","- C19 H11 Br N2 O3 -","- C38 H22 Br2 N4 O6 -","2","1","","Gen Zhang; Yaohu Zhang; Jiexi Yan; Ru Chen; Shoulei Wang; Yunxia Ma; Rui Wang","One-Pot Enantioselective Synthesis of Functionalized Pyranocoumarins and 2-Amino-4H-chromenes: Discovery of a Type of Potent Antibacterial Agent","Journal of Organic Chemistry","2012","77","","878","888","10.1021/jo202020m","","","0.71073","MoKα","","0.0953","0.0459","","","0.0921","0.1079","","","","","","1.014","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026885","16.2504","0.0018","12.0239","0.0013","18.9598","0.0015","90","","124.038","0.006","90","","3069.9","0.6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H33 Br N4 O2 S -","- C35 H33 Br N4 O2 S -","- C140 H132 Br4 N16 O8 S4 -","4","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.0805","0.0464","","","0.124","0.1485","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026886","9.654","0.004","12.011","0.005","15.321","0.006","101.696","0.005","90.916","0.006","100.475","0.006","1708.1","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C37 H36 N6 O4 S -","- C37 H36 N6 O4 S -","- C74 H72 N12 O8 S2 -","2","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.1207","0.07","","","0.1974","0.2377","","","","","","1.066","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026887","16.253","0.003","12.018","0.002","16.937","0.003","90","","110.58","0.03","90","","3097.2","1.1","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 N4 O3 S -","- C36 H36 N4 O3 S -","- C144 H144 N16 O12 S4 -","4","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.0625","0.0554","","","0.1476","0.1564","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026888","12.412","0.003","16.298","0.003","17.833","0.004","90","","91.209","0.003","90","","3606.6","1.4","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C36 H36 Cl3 Fe N4 O3 S -","- C36 H36 Cl3 Fe N4 O3 S -","- C144 H144 Cl12 Fe4 N16 O12 S4 -","4","1","","Zheng Yang; Mengyao She; Bing Yin; Jihong Cui; Yuze Zhang; Wei Sun; Jianli Li; Zhen Shi","Three Rhodamine-Based ""Off-On"" Chemosensors with High Selectivity and Sensitivity for Fe3+ Imaging in Living Cells","Journal of Organic Chemistry","2012","77","","1143","1147","10.1021/jo202056t","","","0.71073","MoKα","","0.1703","0.0847","","","0.2284","0.2916","","","","","","1.045","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026889","10.6629","0.0011","11.7766","0.0012","15.3061","0.0016","90","","105.025","0.001","90","","1856.3","0.3","90","","90","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H25 N O7 -","- C19 H25 N O7 -","- C76 H100 N4 O28 -","4","1","","Gen Onodera; Mari Suto; Ryo Takeuchi","Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates","Journal of Organic Chemistry","2012","77","","908","920","10.1021/jo202083z","","","0.71073","MoKα","","0.0638","0.0445","","","0.113","0.1245","","","","","","1.015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026890","9.3754","0.0018","11.161","0.002","11.962","0.002","90","","105.572","0.002","90","","1205.7","0.4","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Gen Onodera; Mari Suto; Ryo Takeuchi","Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates","Journal of Organic Chemistry","2012","77","","908","920","10.1021/jo202083z","","","0.71073","MoKα","","0.0429","0.0362","","","0.0929","0.098","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026891","13.9836","0.0003","8.2614","0.00015","17.967","0.0004","90","","99.302","0.007","90","","2048.33","0.08","296","","296","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H23 N O6 -","- C21 H23 N O6 -","- C84 H92 N4 O24 -","4","2","","Gen Onodera; Mari Suto; Ryo Takeuchi","Iridium-Catalyzed [2+2+2] Cycloaddition of α,ω-Diynes with Isocyanates","Journal of Organic Chemistry","2012","77","","908","920","10.1021/jo202083z","","","1.54187","CuKα","","","0.036","","","","0.0987","","","","","","1.041","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026892","11.606","0.0002","18.287","0.0002","7.1396","0.0001","90","","103.762","0.002","90","","1471.8","0.04","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1-(6-bromo-2-methoxynaphthalen-1-yl)isochroman","","- C20 H18 O2 -","- C20 H18 O2 -","- C80 H72 O8 -","4","1","","Soo J. Park; Jason R. Price; Matthew H. Todd","Oxidative Arylation of Isochroman","Journal of Organic Chemistry","2012","77","","949","955","10.1021/jo2021373","","","0.71073","MoKα","","0.0397","0.0361","","","0.0915","0.0943","","","","","","1.079","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026893","9.7507","0.0002","10.7237","0.0003","24.61","0.0005","96.602","0.0019","96.2797","0.0019","107.296","0.002","2412.53","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","1-(4-methoxynaphthalen-1-yl)isochroman","","- C20 H17 Br O2 -","- C20 H17 Br O2 -","- C120 H102 Br6 O12 -","6","3","","Soo J. Park; Jason R. Price; Matthew H. Todd","Oxidative Arylation of Isochroman","Journal of Organic Chemistry","2012","77","","949","955","10.1021/jo2021373","","","1.54184","CuKα","","0.0285","0.0272","","","0.0741","0.0754","","","","","","1.043","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026894","8.4371","0.0003","8.7423","0.0003","14.5956","0.0007","105.766","0.003","98.497","0.004","99.551","0.003","1000.39","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","(E)-2-(1-(5-oxo-1-phenyl-3-propyl-2-thioxoimidazolidin-4-yl)ethylidene)- hydrazinecarboxamide x ethanol","","- C17 H25 N5 O3 S -","- C17 H25 N5 O3 S -","- C34 H50 N10 O6 S2 -","2","1","","Orazio A. Attanasi; Silvia Bartoccini; Gianfranco Favi; Gianluca Giorgi; Francesca Romana Perrulli; Stefania Santeusanio","Powerful Approach to Heterocyclic Skeletal Diversity by Sequential Three-Component Reaction of Amines, Isothiocyanates, and 1,2-Diaza-1,3-dienes","Journal of Organic Chemistry","2012","77","","1161","1167","10.1021/jo2021949","","","0.71073","MoKα","","0.0655","0.0429","","","0.1175","0.1247","","","","","","1.006","","","","has coordinates,has disorder","178447","2020-10-21","18:00:00",""
"4026895","8.3746","0.001","5.691","0.0007","15.6697","0.0018","90","","101.539","0.003","90","","731.72","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H13 Br O2 -","- C19 H13 Br O2 -","- C38 H26 Br2 O4 -","2","1","","Jie Chen; Ling Zhou; Chong Kiat Tan; Ying-Yeung Yeung","An Enantioselective Approach toward 3,4-Dihydroisocoumarin through the Bromocyclization of Styrene-type Carboxylic Acids","Journal of Organic Chemistry","2012","77","","999","1009","10.1021/jo202221c","","","0.71073","MoKα","","0.0326","0.0308","","","0.0734","0.075","","","","","","1.016","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026896","10.0497","0.0011","9.862","0.0011","23.217","0.003","90","","96.068","0.003","90","","2288.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 O2 -","- C15 H14 O2 -","- C120 H112 O16 -","8","2","","Jie Chen; Ling Zhou; Chong Kiat Tan; Ying-Yeung Yeung","An Enantioselective Approach toward 3,4-Dihydroisocoumarin through the Bromocyclization of Styrene-type Carboxylic Acids","Journal of Organic Chemistry","2012","77","","999","1009","10.1021/jo202221c","","","0.71073","MoKα","","0.0793","0.0641","","","0.1423","0.1498","","","","","","1.122","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026897","11.9253","0.0007","20.4021","0.0012","13.345","0.0008","90","","90.039","0.005","90","","3246.9","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 N4 O2 -","- C38 H54 N4 O2 -","- C152 H216 N16 O8 -","4","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.091","0.037","","","0.0554","0.0595","","","","","","0.719","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026898","10.1677","0.0004","11.5098","0.0005","14.9251","0.0006","89.064","0.003","80.717","0.003","83.191","0.003","1711.62","0.12","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H52 N6 O2 -","- C40 H52 N6 O2 -","- C80 H104 N12 O4 -","2","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.0596","0.04","","","0.1014","0.1053","","","","","","1.049","","","","has coordinates","178447","2020-10-21","18:00:00",""
"4026899","17.9478","0.0003","20.838","0.0004","10.6397","0.0002","90","","90","","90","","3979.21","0.13","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42.25 H63.5 Cl N4 O0.75 -","- C42.25 H63.5 Cl N4 O0.75 -","- C169 H254 Cl4 N16 O3 -","4","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.0661","0.0589","","","0.1713","0.1749","","","","","","1.049","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026900","12.5909","0.0005","16.0545","0.0006","16.6187","0.0006","81.534","0.003","74.721","0.003","80.6","0.003","3177.8","0.2","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H98 Cl6 N8 O4 -","- C66 H98 Cl6 N8 O4 -","- C132 H196 Cl12 N16 O8 -","2","1","","Juraj Galeta; Milan Potáček","Substituted Diazatetracyclo[4.4.0.13,10.15,8]dodecanes as Stable Caged Proton Sponges","Journal of Organic Chemistry","2012","77","","1010","1017","10.1021/jo202235f","","","0.71073","MoKα","","0.1119","0.0638","","","0.1756","0.188","","","","","","0.915","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026901","6.702","0.0018","16.936","0.004","13.275","0.004","90","","90.508","0.006","90","","1506.7","0.7","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 F2 N O3 -","- C16 H21 F2 N O3 -","- C64 H84 F8 N4 O12 -","4","1","","Sara H. Kyne; Jonathan A. L. Miles; Jonathan M. Percy; Kuldip Singh","Executing and Rationalizing the Synthesis of a Difluorinated Analogue of a Ring-Expanded Calystegine B2","Journal of Organic Chemistry","2012","77","","991","998","10.1021/jo2022845","","","0.71073","MoKα","","0.1157","0.0584","","","0.0899","0.1049","","","","","","0.93","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026902","11.428","0.003","24.352","0.006","10.474","0.002","90","","90","","90","","2914.9","1.2","150","2","150","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C15 H19 F2 N O3 -","- C15 H19 F2 N O3 -","- C120 H152 F16 N8 O24 -","8","1","","Sara H. Kyne; Jonathan A. L. Miles; Jonathan M. Percy; Kuldip Singh","Executing and Rationalizing the Synthesis of a Difluorinated Analogue of a Ring-Expanded Calystegine B2","Journal of Organic Chemistry","2012","77","","991","998","10.1021/jo2022845","","","0.71073","MoKα","","0.0658","0.0498","","","0.1134","0.1194","","","","","","1.149","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026903","12.6177","0.0007","14.0998","0.0008","20.0716","0.001","85.747","0.003","89.306","0.003","69.962","0.003","3345.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C144 H240 O24 -","8","4","","Dane Holte; Daniel C. G. Götz; Phil S. Baran","An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization","Journal of Organic Chemistry","2012","77","","825","842","10.1021/jo202314a","","","1.54178","CuKα","","0.063","0.0467","","","0.1162","0.1269","","","","","","1.031","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026904","5.5789","0.0003","11.6219","0.0006","13.0202","0.0006","94.998","0.003","92.49","0.003","98.515","0.003","830.35","0.07","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H30 O3 -","- C18 H30 O3 -","- C36 H60 O6 -","2","1","","Dane Holte; Daniel C. G. Götz; Phil S. Baran","An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization","Journal of Organic Chemistry","2012","77","","825","842","10.1021/jo202314a","","","1.54178","CuKα","","0.0577","0.0508","","","0.1325","0.1398","","","","","","1.037","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026905","12.4712","0.0003","12.558","0.0003","15.8397","0.0004","90","","96.244","0.001","90","","2465.99","0.1","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H26 Br2 N2 O3 -","- C26 H26 Br2 N2 O3 -","- C104 H104 Br8 N8 O12 -","4","1","","Dane Holte; Daniel C. G. Götz; Phil S. Baran","An Approach to Mimicking the Sesquiterpene Cyclase Phase by Nickel-Promoted Diene/Alkyne Cooligomerization","Journal of Organic Chemistry","2012","77","","825","842","10.1021/jo202314a","","","0.71073","MoKα","","0.0642","0.0398","","","0.0945","0.1043","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026906","7.9944","0.0011","6.2207","0.0009","14.801","0.002","90","","103.384","0.002","90","","716.07","0.17","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C32 H24 Br2 N2 O6 -","2","1","","Liang-Qiu Lu; Zhi-Hui Ming; Jing An; Chao Li; Jia-Rong Chen; Wen-Jing Xiao","Enantioselective Cascade Reactions of Stable Sulfur Ylides and Nitroolefins through an Axial-to-Central Chirality Transfer Strategy","Journal of Organic Chemistry","2012","77","","1072","1080","10.1021/jo202324f","","","0.71073","MoKα","","0.0527","0.0404","","","0.0959","0.1016","","","","","","1.018","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026907","7.5","0.0015","10.077","0.002","12.947","0.003","73.78","0.03","84.08","0.03","80.89","0.03","925.9","0.4","295","2","295","2","","","","","","","","5","P -1","-P 1","2","","12-(4-Chlorobenzoyl)-2-methylbenzo[f]pyrido[1,2-a]indole-6, 11-dione","","- C24 H14 Cl N O3 -","- C24 H14 Cl N O3 -","- C48 H28 Cl2 N2 O6 -","2","1","","Yun Liu; Jin-Wei Sun","Copper(II)-Catalyzed Synthesis of Benzo[f]pyrido[1,2-a]indole-6,11-dione Derivatives via Naphthoquinone Difunctionalization Reaction","Journal of Organic Chemistry","2012","77","","1191","1197","10.1021/jo2023312","","","0.71073","MoKα","","0.0784","0.0489","","","0.1131","0.1237","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026908","10.6924","0.0007","12.4945","0.0008","18.4352","0.0012","102.594","0.0007","96.5551","0.0008","96.1075","0.0007","2365.9","0.3","173","2","173","2","","","","","","","","9","P -1","-P 1","2","","","","- C47 H63 Cl2 F3 N3 O4 P Pd S -","- C47 H63 Cl2 F3 N3 O4 P Pd S -","- C94 H126 Cl4 F6 N6 O8 P2 Pd2 S2 -","2","1","","Bennett J. Tardiff; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Rational and Predictable Chemoselective Synthesis of Oligoamines via Buchwald-Hartwig Amination of (Hetero)Aryl Chlorides Employing Mor-DalPhos","Journal of Organic Chemistry","2012","77","","1056","1071","10.1021/jo202358p","","","0.71073","MoKα","","0.0327","0.0308","","","0.0843","0.0888","","","","","","1.066","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026909","10.2665","0.0006","11.0209","0.0006","12.1446","0.0007","67.6814","0.0007","81.459","0.0007","79.9256","0.0007","1246.48","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H42 N O P -","- C30 H42 N O P -","- C60 H84 N2 O2 P2 -","2","1","","Bennett J. Tardiff; Robert McDonald; Michael J. Ferguson; Mark Stradiotto","Rational and Predictable Chemoselective Synthesis of Oligoamines via Buchwald-Hartwig Amination of (Hetero)Aryl Chlorides Employing Mor-DalPhos","Journal of Organic Chemistry","2012","77","","1056","1071","10.1021/jo202358p","","","0.71073","MoKα","","0.0542","0.0437","","","0.116","0.1232","","","","","","1.042","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026910","30.931","0.006","7.4285","0.0013","14.506","0.003","90","","113.436","0.002","90","","3058.1","1","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 Cl N4 O2 -","- C16 H13 Cl N4 O2 -","- C128 H104 Cl8 N32 O16 -","8","1","","Melissa L. McIntosh; Ryne C. Johnston; Ommidala Pattawong; Bradley O. Ashburn; Michael R. Naffziger; Paul Ha-Yeon Cheong; Rich G. Carter","Synthesis and Computational Analysis of Densely Functionalized Triazoles Using o-Nitrophenylalkynes","Journal of Organic Chemistry","2012","77","","1101","1112","10.1021/jo202467k","","","0.71073","MoKα","","0.0709","0.0505","","","0.1203","0.1331","","","","","","1.001","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026911","9.3017","0.0007","9.7642","0.0007","21.914","0.0016","90","","92.503","0.001","90","","1988.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N4 O4 -","- C23 H18 N4 O4 -","- C92 H72 N16 O16 -","4","1","","Melissa L. McIntosh; Ryne C. Johnston; Ommidala Pattawong; Bradley O. Ashburn; Michael R. Naffziger; Paul Ha-Yeon Cheong; Rich G. Carter","Synthesis and Computational Analysis of Densely Functionalized Triazoles Using o-Nitrophenylalkynes","Journal of Organic Chemistry","2012","77","","1101","1112","10.1021/jo202467k","","","0.71073","MoKα","","0.0439","0.0373","","","0.095","0.1003","","","","","","1.027","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026912","23.192","0.005","9.251","0.0019","21.285","0.004","90","","112.12","0.03","90","","4230.6","1.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26.5 H30 O2 -","- C26.5 H30 O2 -","- C212 H240 O16 -","8","2","","Sarah J. Ryan; Andreas Stasch; Michael N. Paddon-Row; David W. Lupton","Synthetic and Quantum Mechanical Studies into theN-Heterocyclic Carbene Catalyzed (4 + 2) Cycloaddition","Journal of Organic Chemistry","2012","77","","1113","1124","10.1021/jo202500k","","","0.7107","Synchrotron","","0.0621","0.0482","","","0.1221","0.1327","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026913","18.913","0.011","6.478","0.004","22.834","0.013","90","","110.889","0.007","90","","2614","3","150","2","150","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C27 H34 N2 O2 S -","- C27 H34 N2 O2 S -","- C108 H136 N8 O8 S4 -","4","1","","Zhihua Liu; Sukeshi J. Mehta; Kwang-Soo Lee; Bryan Grossman; Hongchang Qu; Xuyuan Gu; Gary S. Nichol; Victor J. Hruby","Thio-Claisen Rearrangement Used in Preparing Anti-β-Functionalized γ,δ-Unsaturated Amino Acids: Scope and Limitations","Journal of Organic Chemistry","2012","77","","1289","1300","10.1021/jo201753q","","","0.71073","MoKα","","0.1276","0.066","","","0.1528","0.1939","","","","","","1.005","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026914","16.2577","0.0012","10.796","0.0009","7.2438","0.0006","90","","93.455","0.008","90","","1269.11","0.18","90","2","90","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 F3 N3 O2 -","- C13 H10 F3 N3 O2 -","- C52 H40 F12 N12 O8 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0416","0.0387","","","0.1028","0.1046","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026915","7.1571","0.0004","8.4227","0.0004","13.3083","0.0008","98.186","0.005","100.888","0.005","96.356","0.004","771.93","0.08","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H13 Br F3 N O5 -","- C13 H13 Br F3 N O5 -","- C26 H26 Br2 F6 N2 O10 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0288","0.028","","","0.0744","0.0748","","","","","","1.062","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026916","9.2599","0.0013","9.4971","0.0015","9.9419","0.0016","70.159","0.015","62.394","0.015","83.144","0.013","728","0.2","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C13 H11 Br F3 N O4 -","- C13 H11 Br F3 N O4 -","- C26 H22 Br2 F6 N2 O8 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.0535","0.052","","","0.1478","0.1512","","","","","","1.097","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026917","9.5898","0.0011","15.653","0.0015","11.0541","0.0013","90","","115.637","0.014","90","","1496","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F3 N O5 -","- C14 H14 F3 N O5 -","- C56 H56 F12 N4 O20 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.0406","0.0355","","","0.0888","0.093","","","","","","1.044","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026918","4.499","0.002","11.188","0.006","13.464","0.012","91.14","0.08","97.51","0.07","90.08","0.04","671.8","0.8","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 F3 N O4 -","- C14 H12 F3 N O4 -","- C28 H24 F6 N2 O8 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.1224","0.1029","","","0.3198","0.3727","","","","","","1.757","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026919","11.6332","0.0004","7.956","0.0002","15.6028","0.0004","90","","111.752","0.004","90","","1341.27","0.08","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H9 Br F3 N O3 -","- C13 H9 Br F3 N O3 -","- C52 H36 Br4 F12 N4 O12 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.034","0.0326","","","0.0857","0.0863","","","","","","1.155","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026920","7.856","0.0014","8.957","0.002","10.209","0.003","91.807","0.019","98.09","0.018","101.202","0.017","696.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H12 F3 N O4 -","- C14 H12 F3 N O4 -","- C28 H24 F6 N2 O8 -","2","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.54184","CuKα","","0.1346","0.1165","","","0.3485","0.3692","","","","","","1.491","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026921","21.56","0.0016","14.2595","0.0016","29.844","0.002","90","","107.941","0.008","90","","8728.9","1.4","90","2","90","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H9 F6 N O2 S -","- C14 H9 F6 N O2 S -","- C336 H216 F144 N24 O48 S24 -","24","3","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0613","0.0533","","","0.1333","0.1386","","","","","","1.08","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026922","12.1098","0.0013","5.6685","0.0005","20.055","0.002","90","","99.927","0.011","90","","1356.1","0.2","90","2","90","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 F3 N O3 S -","- C13 H12 F3 N O3 S -","- C52 H48 F12 N4 O12 S4 -","4","1","","Mark A. Honey; Raffaele Pasceri; William Lewis; Christopher J. Moody","Diverse Trifluoromethyl Heterocycles from a Single Precursor","Journal of Organic Chemistry","2012","77","","1396","1405","10.1021/jo202201w","","","1.5418","CuKα","","0.0376","0.0322","","","0.0803","0.0843","","","","","","1.051","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026923","22.4499","0.0007","11.9982","0.0003","25.5576","0.0008","90","","107.797","0.004","90","","6554.7","0.4","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C72 H90 N6 O10 -","- C72 H90 N6 O10 -","- C288 H360 N24 O40 -","4","1","","Jayaraman Dessingou; Khatija Tabbasum; Atanu Mitra; Vijaya Kumar Hinge; Chebrolu P. Rao","Lower Rim 1,3-Di{4-antipyrine}amide Conjugate of Calix[4]arene: Synthesis, Characterization, and Selective Recognition of Hg2+ and Its Sensitivity toward Pyrimidine Bases","Journal of Organic Chemistry","2012","77","","1406","1413","10.1021/jo2022372","","","0.71073","MoKα","","0.0761","0.046","","","0.0855","0.0988","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026924","8.2737","0.0003","11.8237","0.0004","12.6735","0.0004","72.212","0.002","81.277","0.002","83.828","0.002","1164.4","0.07","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 N3 O3 S -","- C29 H21 N3 O3 S -","- C58 H42 N6 O6 S2 -","2","1","","Rajendran Suresh; Shanmugam Muthusubramanian; Rajendran Senthilkumaran; Govindaswamy Manickam","SnCl2-Catalyzed Selective Atom Economic Imino Diels-Alder Reaction: Synthesis of 2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)quinolines","Journal of Organic Chemistry","2012","77","","1468","1476","10.1021/jo202256z","","","0.71073","MoKα","","0.0688","0.0465","","","0.1309","0.1496","","","","","","1.05","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026925","10.927","0.003","12.053","0.003","16.003","0.004","90","","90","","90","","2107.6","0.9","296","2","296","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C30 H26 -","- C30 H26 -","- C120 H104 -","4","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.0513","0.0369","","","0.0805","0.0877","","","","","","1.036","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026926","11.063","0.003","11.841","0.003","15.632","0.004","106.815","0.013","100.455","0.013","97.499","0.012","1890.9","0.9","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H44 O2 -","- C50 H44 O2 -","- C100 H88 O4 -","2","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.1073","0.0629","","","0.1642","0.2039","","","","","","0.951","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026927","12.561","0.01","14.46","0.011","14.835","0.012","90","","90","","90","","2695","4","296","2","296","2","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C38 H30 O3 -","- C38 H30 O3 -","- C152 H120 O12 -","4","0.5","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.0831","0.0475","","","0.1051","0.1228","","","","","","1.021","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026928","11.98","0.009","11.128","0.008","12.993","0.01","90","","100.959","0.008","90","","1701","2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H33 Cl5 O3 -","- C40 H33 Cl5 O3 -","- C80 H66 Cl10 O6 -","2","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.2018","0.1116","","","0.2812","0.3564","","","","","","0.999","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026929","15.19","0.02","10.119","0.012","34.09","0.04","90","","99.48","0.02","90","","5168","11","296","2","296","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C66 H66 O6 -","- C66 H66 O6 -","- C264 H264 O24 -","4","1","","Wen-Xue Niu; Er-Qun Yang; Zi-Fa Shi; Xiao-Ping Cao; Dietmar Kuck","Single-wing Extended Tribenzotriquinacenes via Bowl-shaped Dehydrobenzene and Isobenzofuran Tribenzotriquinacene Derivatives","Journal of Organic Chemistry","2012","77","","1422","1434","10.1021/jo2022668","","","0.71073","MoKα","","0.2079","0.0756","","","0.1618","0.2341","","","","","","0.893","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026930","18.0254","0.0006","18.0254","0.0006","11.0413","0.0005","90","","90","","120","","3106.9","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C71 H57 Br3 N6 O6 -","- C71.01 H45 Br3 N6 O6 -","- C142.02 H90 Br6 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0508","0.0365","","","0.0912","0.0999","","","","","","1.026","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026931","8.828","0.0002","9.828","0.0002","12.638","0.0003","87.045","0.0012","70.963","0.0013","87.291","0.0014","1034.61","0.04","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H19 Cl N2 O2 -","- C26 H19 Cl N2 O2 -","- C52 H38 Cl2 N4 O4 -","2","1","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.032","0.0302","","","0.0788","0.0804","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026932","17.9406","0.0006","17.9406","0.0006","10.8992","0.0005","90","","90","","120","","3038.1","0.2","173","2","173","2","","","","","","","","5","P -3","-P 3","147","","","","- C71 H57 Cl3 N6 O6 -","- C71.01 H45 Cl3 N6 O6 -","- C142.02 H90 Cl6 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0659","0.0532","","","0.1456","0.1577","","","","","","0.969","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026933","17.9054","0.0008","17.9054","0.0008","11.0374","0.0007","90","","90","","120","","3064.5","0.3","173","2","173","2","","","","","","","","4","P -3","-P 3","147","","","","- C74 H66 N6 O6 -","- C74.01 H54 N6 O6 -","- C148.02 H108 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0753","0.0557","","","0.1472","0.1611","","","","","","1.024","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026934","17.6734","0.0006","17.6734","0.0006","11.0022","0.0004","90","","90","","120","","2976.12","0.18","100","2","100","2","","","","","","","","5","P -3","-P 3","147","","","","- C70.5 H57 Cl3 N6 O6 -","- C69.51 H54 Cl3.03 N6 O6 -","- C139.02 H108 Cl6.06 N12 O12 -","2","0.333333","","Carl-Georg Freiherr von Richthofen; Anja Stammler; Hartmut Bögge; Thorsten Glaser","Probing the Radialene-Character in Triplesalophen Ligands by Spectroscopic and Structural Analysis","Journal of Organic Chemistry","2012","77","","1435","1448","10.1021/jo202273s","","","0.71073","MoKα","","0.0674","0.0424","","","0.0986","0.1125","","","","","","1.026","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026935","11.313","0.0003","6.289","0.0002","17.3747","0.0006","90","","92.826","0.003","90","","1234.66","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H26 N2 O7 -","- C26 H26 N2 O7 -","- C52 H52 N4 O14 -","2","1","","Christian F. Weise; Matthias C. Pischl; Andreas Pfaltz; Christoph Schneider","A General, Asymmetric, and Noniterative Synthesis of Trideoxypropionates. Straightforward Syntheses of the Pheromones (+)-Vittatalactone and (+)-Norvittatalactone","Journal of Organic Chemistry","2012","77","","1477","1488","10.1021/jo202330b","","","0.71073","MoKα","","0.088","0.0347","","","0.0474","0.0544","","","","","","0.823","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026936","9.074","0.0003","11.6141","0.0003","21.7822","0.0006","90","","90","","90","","2295.55","0.12","130","2","130","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H32 N2 O5 -","- C24 H32 N2 O5 -","- C96 H128 N8 O20 -","4","1","","Christian F. Weise; Matthias C. Pischl; Andreas Pfaltz; Christoph Schneider","A General, Asymmetric, and Noniterative Synthesis of Trideoxypropionates. Straightforward Syntheses of the Pheromones (+)-Vittatalactone and (+)-Norvittatalactone","Journal of Organic Chemistry","2012","77","","1477","1488","10.1021/jo202330b","","","0.71073","MoKα","","0.0971","0.0373","","","0.0484","0.0545","","","","","","0.672","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026937","11.8147","0.0003","13.0024","0.0003","14.156","0.0003","90","","90","","90","","2174.64","0.09","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 F O3 -","- C14 H13 F O3 -","- C112 H104 F8 O24 -","8","1","","Michael T. Scerba; Steven Bloom; Nathan Haselton; Maxime Siegler; Jake Jaffe; Thomas Lectka","Interaction of a C-F Bond with the π-System of a C=C Bond or ""Head On"" with a Proximate C-H Bond","Journal of Organic Chemistry","2012","77","","1605","1609","10.1021/jo2024152","","","0.71073","MoKα","","0.0557","0.0393","","","0.0957","0.1012","","","","","","1.063","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026938","17.04","0.02","8.094","0.012","26.81","0.03","90","","90","","90","","3698","8","293.1","","","","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C128 H176 O72 -","8","2","","Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci","Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","1244","1250","10.1021/jo202494v","","","0.7107","MoKα","","","0.1","","","","0.064","","","","","","1.123","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026939","8.8325","0.0004","14.1648","0.0004","14.7778","0.0005","90","0","99.154","0.005","90","0.005","1825.31","0.12","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 O9 -","- C16 H22 O9 -","- C64 H88 O36 -","4","1","","Arif Baran; Merve Bekarlar; Gökay Aydin; Mehmet Nebioglu; Ertan Şahin; Metin Balci","Synthesis of Bishomoinositols and an Entry for Construction of a Substituted 3-Oxabicyclo[3.3.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","1244","1250","10.1021/jo202494v","","x-ray","0.71073","MoKα","","0.1516","0.0749","","","0.2018","0.223","","","","","","1.045","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026940","8.0546","0.0007","8.0546","0.0007","32.476","0.003","90","","90","","90","","2106.9","0.3","173","2","173","2","","","","","","","","3","P 43","P 4cw","78","","","","- C27 H24 O4 -","- C27 H24 O4 -","- C108 H96 O16 -","4","1","","Hong-Xia Xu; Su-Fang Cheng; Xiu-Jie Yang; Bin Chen; Yue Chen; Li-Ping Zhang; Li-Zhu Wu; Weihai Fang; Chen-Ho Tung; Richard G. Weiss","Enhancement of Diastereoselectivity in Photodimerization of Alkyl 2-Naphthoates with Chiral Auxiliaries via Inclusion within γ-Cyclodextrin Cavities","Journal of Organic Chemistry","2012","77","","1685","1692","10.1021/jo2020328","","","1.54186","CuKα","","0.0444","0.0391","","","0.09","0.0993","","","","","","1.1","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026941","5.5058","0.0019","11.098","0.004","35.318","0.012","90","","90","","90","","2158","1.3","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O10 -","- C20 H25 N O10 -","- C80 H100 N4 O40 -","4","1","","Akiko Baba; Tadao Yoshioka","Complementary and Synergistic Roles in Enzyme-Catalyzed Regioselective and Complete Hydrolytic Deprotection of O-Acetylated β-d-Glucopyranosides of N-Arylacetohydroxamic Acids","Journal of Organic Chemistry","2012","77","","1675","1684","10.1021/jo202123s","","","0.71075","MoKα","","","0.051","","","","0.08","","","","","","0.989","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026942","8.655","0.003","11.543","0.004","12.702","0.004","63.88","0.03","70.64","0.03","89.42","0.03","1061.1","0.7","93","","93","","","","","","","","","4","P 1","P 1","1","","","","- C20 H25 N O10 -","- C20 H25 N O10 -","- C40 H50 N2 O20 -","2","2","","Akiko Baba; Tadao Yoshioka","Complementary and Synergistic Roles in Enzyme-Catalyzed Regioselective and Complete Hydrolytic Deprotection of O-Acetylated β-d-Glucopyranosides of N-Arylacetohydroxamic Acids","Journal of Organic Chemistry","2012","77","","1675","1684","10.1021/jo202123s","","","0.71075","MoKα","","","0.068","","","","0.114","","","","","","1.07","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026943","22.266","0.002","8.883","0.0009","9.3118","0.001","90","","90","","90","","1841.8","0.3","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C24 H23 N O -","- C24 H23 N O -","- C96 H92 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0583","0.0503","","","0.1255","0.1313","","","","","","0.871","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026944","8.3438","0.0012","12.5908","0.0017","19.305","0.003","90","","90","","90","","2028.1","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N S -","- C24 H29 N S -","- C96 H116 N4 S4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0902","0.0494","","","0.0931","0.1057","","","","","","0.848","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026945","7.3321","0.0009","15.2253","0.0018","18.502","0.002","90","","90","","90","","2065.4","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H29 N S -","- C24 H29 N S -","- C96 H116 N4 S4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0997","0.0508","","","0.0958","0.1101","","","","","","0.812","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026946","8.5449","0.0009","8.6216","0.0008","27.256","0.003","90","","90","","90","","2008","0.4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 N O -","- C26 H27 N O -","- C104 H108 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.072","0.042","","","0.0878","0.0952","","","","","","0.861","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026947","8.1652","0.0008","8.6326","0.0009","27.024","0.003","90","","90","","90","","1904.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H25 N O -","- C25 H25 N O -","- C100 H100 N4 O4 -","4","1","","Biao Jiang; Lei Han; Yong-Le Li; Xiao-Long Zhao; Yang Lei; Dai-Qian Xie; John Z. H. Zhang","Combined Theoretical and Experimental Study on High Diastereoselective Chirality Transfer Based on [2.2]Paracyclophane Derivative Chiral Reagent","Journal of Organic Chemistry","2012","77","","1701","1709","10.1021/jo202186e","","","0.71073","MoKα","","0.0565","0.0463","","","0.1135","0.1186","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026948","13.42","0.002","7.6711","0.0013","25.275","0.004","90","","90","","90","","2602","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 N O2 -","- C17 H13 N O2 -","- C136 H104 N8 O16 -","8","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0743","0.0503","","","0.1101","0.1209","","","","","","1.052","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026949","22.137","0.012","7.901","0.004","15.787","0.009","90","","104.305","0.007","90","","2676","3","173","","173","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 O -","- C18 H14 O -","- C144 H112 O8 -","8","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0736","0.0674","","0.1671","0.1601","0.1671","","","","","","0.9815","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4026950","11.38","0.002","16.27","0.003","7.2667","0.0013","90","","98.752","0.002","90","","1329.8","0.4","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N -","- C18 H13 N -","- C72 H52 N4 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0604","0.0433","","","0.1123","0.1254","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026951","8.217","0.003","9.041","0.003","16.898","0.006","90","","94.545","0.004","90","","1251.4","0.8","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F -","- C17 H13 F -","- C68 H52 F4 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0728","0.0508","","","0.1337","0.1544","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026952","8.223","0.0014","8.9887","0.0015","17.94","0.003","90","","90","","90","","1326","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 O -","- C18 H16 O -","- C72 H64 O4 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0432","0.0373","","","0.0831","0.0858","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026953","16.582","0.003","9.6251","0.0016","17.605","0.003","90","","111.114","0.002","90","","2621.2","0.8","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Cl -","- C17 H13 Cl -","- C136 H104 Cl8 -","8","2","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0955","0.0662","","","0.1856","0.2135","","","","","","1.044","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026954","8.1895","0.0014","24.346","0.004","7.5266","0.0013","90","","117.113","0.002","90","","1335.8","0.4","173","2","173","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 -","- C18 H16 -","- C72 H64 -","4","1","","Colin W. Anson; Dasan M. Thamattoor","Influence of Substituents on the Through-Space Shielding of Aromatic Rings","Journal of Organic Chemistry","2012","77","","1693","1700","10.1021/jo202203r","","","0.71073","MoKα","","0.0791","0.0489","","","0.1107","0.1272","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026955","9.6439","0.0004","19.2458","0.0009","9.3848","0.0006","90","","101.658","0.005","90","","1705.93","0.16","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,2,2-trifluoro-N-(8-methoxy-3-methyl-5-oxo-1,2,3,5,5a,6_ -hexahydroindeno[1,2-e]indol-5a-yl)acetamide","","- C19 H17 F3 N2 O3 -","- C19 H17 F3 N2 O3 -","- C76 H68 F12 N8 O12 -","4","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.1064","0.0398","","","0.074","0.0832","","","","","","0.791","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026956","18.214","0.008","9.281","0.005","9.715","0.005","90","","104.9","0.03","90","","1587","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","ethyl 5-methoxy-1-oxo-2-(2,2,2-trifluoroacetamido)-2,3-dihydro -1H-indene-2-carboxylate","","- C15 H14 F3 N O5 -","- C15 H14 F3 N O5 -","- C60 H56 F12 N4 O20 -","4","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.0926","0.0483","","","0.1201","0.1537","","","","","","1.063","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026957","9.3989","0.0008","9.6211","0.0006","10.509","0.001","105.856","0.007","101.153","0.008","102.494","0.006","859.63","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","2,2,2-trifluoro-N-(8-methoxy-5-oxo-1,2,3,5,5a,6_ -hexahydroindeno[1,2-e]indol-5a-yl)acetamide","","- C18 H17 F3 N2 O4 -","- C18 H17 F3 N2 O4 -","- C36 H34 F6 N4 O8 -","2","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.0681","0.0404","","","0.0846","0.0898","","","","","","0.877","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026958","7.0943","0.0007","14.9317","0.0014","18.0186","0.0017","90","","90","","90","","1908.7","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(E)-tert-butyl 3-(5-methoxy-2,2-dimethyl-2,3-dihydro-1H-inden-1-ylidene)_ -2-oxopyrrolidine-1-carboxylate","","- C21 H27 N O4 -","- C21 H27 N O4 -","- C84 H108 N4 O16 -","4","1","","Riccardo Rossi Paccani; Donato Donati; Stefania Fusi; Loredana Latterini; Grazia Farina; Vinicio Zanirato; Massimo Olivucci","Toward a Stable α-Cycloalkyl Amino Acid with a Photoswitchable Cationic Side Chain","Journal of Organic Chemistry","2012","77","","1738","1748","10.1021/jo2022263","","","0.71073","MoKα","","0.0592","0.0451","","","0.114","0.1189","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026959","5.4247","0.0002","26.0447","0.001","7.076","0.0003","90","","105.793","0.004","90","","961.99","0.07","173","2","173","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","imidazylsulfonylazide hydrogensulfate","imidazylsulfonylazide hydrogensulfate","","- C3 H5 N5 O6 S2 -","- C3 H5 N5 O6 S2 -","- C12 H20 N20 O24 S8 -","4","1","","Niko Fischer; Ethan D. Goddard-Borger; Robert Greiner; Thomas M. Klapötke; Brian W. Skelton; Jörg Stierstorfer","Sensitivities of Some Imidazole-1-sulfonyl Azide Salts","Journal of Organic Chemistry","2012","77","","1760","1764","10.1021/jo202264r","","","0.71073","MoKα","","0.0286","0.0255","","","0.0656","0.0667","","","","","","1.054","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026960","7.4067","0.0002","9.2983","0.0003","11.983","0.0003","90","","100.049","0.003","90","","812.61","0.04","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C3 H4 Cl N5 O2 S -","- C3 H4 Cl N5 O2 S -","- C12 H16 Cl4 N20 O8 S4 -","4","1","","Niko Fischer; Ethan D. Goddard-Borger; Robert Greiner; Thomas M. Klapötke; Brian W. Skelton; Jörg Stierstorfer","Sensitivities of Some Imidazole-1-sulfonyl Azide Salts","Journal of Organic Chemistry","2012","77","","1760","1764","10.1021/jo202264r","","","0.71073","MoKα","","0.0462","0.0291","","","0.0771","0.0813","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026961","9.677","0.004","11.802","0.004","12.736","0.005","90","","101.324","0.005","90","","1426.2","0.9","293.1","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N3 O2 -","- C16 H17 N3 O2 -","- C64 H68 N12 O8 -","4","1","","Rupam Sarma; Manas M. Sarmah; Dipak Prajapati","Microwave-Promoted Catalyst- and Solvent-Free Aza-Diels-Alder Reaction of Aldimines with 6-[2-(Dimethylamino)vinyl]-1,3-dimethyluracil","Journal of Organic Chemistry","2012","77","","2018","2023","10.1021/jo202346w","","","0.71075","MoKα","","","0.0729","","","","0.0673","","","","","","7.863","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026962","15.3179","0.0004","11.0106","0.0002","21.8847","0.0004","90","","104.525","0.001","90","","3573.09","0.13","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H52 N2 O12 S4 -","- C29 H52 N2 O12 S4 -","- C116 H208 N8 O48 S16 -","4","1","","Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager","Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization","Journal of Organic Chemistry","2012","77","","1789","1797","10.1021/jo202349j","","","1.54178","CuKα","","0.0331","0.0314","","","0.0829","0.0841","","","","","","1.031","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026963","11.5578","0.0003","17.3536","0.0004","13.7567","0.0004","90","","104.737","0.001","90","","2668.41","0.12","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 N2 O2 S4 -","- C23 H40 N2 O2 S4 -","- C92 H160 N8 O8 S16 -","4","1","","Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager","Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization","Journal of Organic Chemistry","2012","77","","1789","1797","10.1021/jo202349j","","x-ray","0.71073","MoKα","","0.1283","0.0755","","","0.1732","0.2069","","","","","","1.037","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026964","15.4577","0.0015","17.4225","0.0017","13.5101","0.0014","90","","90","","90","","3638.4","0.6","100","2","100","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C27 H58 N2 O12 S4 -","- C27 H58 N2 O12 S4 -","- C108 H232 N8 O48 S16 -","4","0.5","","Eric L. Dane; Björn Corzilius; Egon Rizzato; Pierre Stocker; Thorsten Maly; Albert A. Smith; Robert G. Griffin; Olivier Ouari; Paul Tordo; Timothy M. Swager","Rigid Orthogonal Bis-TEMPO Biradicals with Improved Solubility for Dynamic Nuclear Polarization","Journal of Organic Chemistry","2012","77","","1789","1797","10.1021/jo202349j","","","0.71073","MoKα","","0.0561","0.0381","","","0.0867","0.0975","","","","","","1.042","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026965","15.255","0.003","10.757","0.003","9.418","0.002","90","","101.43","0.02","90","","1514.8","0.6","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 Si -","- C29 H45 N O4 Si -","- C58 H90 N2 O8 Si2 -","2","1","","Toyoharu Kobayashi; Futoshi Hasegawa; Yoshikatsu Hirose; Katsunori Tanaka; Hajime Mori; Shigeo Katsumura","Stereocontrolled Synthesis of Substituted Chiral Piperidines via One-Pot Asymmetric 6π-Azaelectrocyclization: Asymmetric Syntheses of (-)-Dendroprimine, (+)-7-Epidendroprimine, (+)-5-Epidendroprimine, and (+)-5,7-Epidendroprimine","Journal of Organic Chemistry","2012","77","","1812","1832","10.1021/jo202350z","","","1.54178","CuKα","","0.147","0.143","","0.273","0.273","0.273","","","27.826","10.58","10.58","10.58","","","","has coordinates,has Fobs","176467","2020-10-21","18:00:00",""
"4026966","10.8038","0.001","23.985","0.002","8.7832","0.0008","90","","102.021","0.001","90","","2226.1","0.3","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frojm03","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.0731","0.0452","","","0.1044","0.1189","","","","","","1.021","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026967","11.3933","0.0012","9.578","0.001","20.154","0.002","90","","96.663","0.002","90","","2184.5","0.4","100","0.1","100","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","frojm06","","","- C26 H22 O6 -","- C26 H22 O6 -","- C104 H88 O24 -","4","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.0869","0.0458","","","0.0879","0.1023","","","","","","1.006","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026968","9.8878","0.0006","11.5836","0.0007","12.5674","0.0008","76.497","0.001","85.255","0.001","66.263","0.001","1281.13","0.14","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","frojm08","","","- C30 H30 O8 -","- C30 H30 O8 -","- C60 H60 O16 -","2","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.0745","0.0519","","","0.1343","0.1516","","","","","","1.027","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026969","9.0885","0.0014","9.8939","0.0015","14.454","0.002","85.558","0.003","79.432","0.003","77.598","0.003","1246.9","0.3","100","0.1","100","0.1","","","","","","","","5","P -1","-P 1","2","frojm09","","","- C27 H21 F3 O9 S -","- C27 H21 F3 O9 S -","- C54 H42 F6 O18 S2 -","2","1","","John A. Malona; Kevin Cariou; William T. Spencer; Alison J. Frontier","Total Synthesis of (\±)-Rocaglamide via Oxidation-Initiated Nazarov Cyclization","Journal of Organic Chemistry","2012","77","","1891","1908","10.1021/jo202366c","","","0.71073","MoKα","","0.1319","0.0583","","","0.1123","0.1494","","","","","","0.96","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026970","15.389","0.002","4.8134","0.0005","34.523","0.005","90","","90.643","0.008","90","","2557.1","0.6","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C26 H30 N2 O2 S3 -","- C26 H30 N2 O2 S3 -","- C104 H120 N8 O8 S12 -","4","1","","Charlotte Mallet; Gurunathan Savitha; Magali Allain; Václav Kozmík; Jiří Svoboda; Pierre Frère; Jean Roncali","Synthesis and Electronic Properties of D-A-D Triads Based on 3-Alkoxy-4-cyanothiophene and Benzothienothiophene Blocks","Journal of Organic Chemistry","2012","77","","2041","2046","10.1021/jo202412t","","x-ray","0.71073","MoKα","","","0.0402","","","","0.071","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026971","7.7287","0.0007","12.9149","0.0008","15.251","0.001","66.888","0.006","87.862","0.006","86.072","0.007","1396.73","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H30 N4 O2 S3 -","- C28 H30 N4 O2 S3 -","- C56 H60 N8 O4 S6 -","2","1","","Charlotte Mallet; Gurunathan Savitha; Magali Allain; Václav Kozmík; Jiří Svoboda; Pierre Frère; Jean Roncali","Synthesis and Electronic Properties of D-A-D Triads Based on 3-Alkoxy-4-cyanothiophene and Benzothienothiophene Blocks","Journal of Organic Chemistry","2012","77","","2041","2046","10.1021/jo202412t","","x-ray","0.71073","MoKα","","","0.065","","","","0.1639","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026972","10.477","0.002","15.019","0.0018","13.2317","0.0014","90","","90","","90","","2082.1","0.5","295","2","295","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,3a,6,7a-Tetramethyltetrahydro-3H,4H-3,6-epoxy[1,2]dioxolo[3,4-b]pyran","","- C10 H16 O4 -","- C10 H16 O4 -","- C80 H128 O32 -","8","1","","Alexander O. Terent'ev; Ivan A. Yaremenko; Vladimir V. Chernyshev; Valery M. Dembitsky; Gennady I. Nikishin","Selective Synthesis of Cyclic Peroxides from Triketones and H2O2","Journal of Organic Chemistry","2012","77","","1833","1842","10.1021/jo202437r","","x-ray","1.5418","CuKα","","0.0654","0.0502","","","0.1249","0.1368","","","","","","1.044","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026973","14.787","0.005","6.7567","0.0016","13.309","0.005","90","","90","","90","","1329.7","0.7","295","2","295","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","3-(4-Bromophenyl)-6,7a-dimethyltetrahydro -3H,4H-3,6-epoxy[1,2]dioxolo[3,4-b]pyran","","- C14 H15 Br O4 -","- C14 H15 Br O4 -","- C56 H60 Br4 O16 -","4","1","","Alexander O. Terent'ev; Ivan A. Yaremenko; Vladimir V. Chernyshev; Valery M. Dembitsky; Gennady I. Nikishin","Selective Synthesis of Cyclic Peroxides from Triketones and H2O2","Journal of Organic Chemistry","2012","77","","1833","1842","10.1021/jo202437r","","x-ray","0.56085","AgKα","","0.0898","0.0416","","","0.0724","0.0839","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026974","13.809","0.003","17.516","0.003","20.801","0.004","90","","95.313","0.004","90","","5009.7","1.7","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 Cl2 N12 O12 -","- C44 H30 Cl2 N12 O12 -","- C176 H120 Cl8 N48 O48 -","4","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1434","0.0966","","","0.2366","0.2598","","","","","","1.254","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026975","12.783","0.005","27.232","0.011","13.362","0.006","90","","103.859","0.005","90","","4516","3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H22 Cl2 N12 O14 -","- C32 H22 Cl2 N12 O14 -","- C128 H88 Cl8 N48 O56 -","4","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1001","0.078","","","0.215","0.2326","","","","","","1.084","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026976","32.062","0.009","12.597","0.003","26.339","0.008","90","","125.74","0.003","90","","8635","4","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C37 H17 Cl3 F10 N6 O12 -","- C37 H17 Cl3 F10 N6 O12 -","- C296 H136 Cl24 F80 N48 O96 -","8","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1177","0.0962","","","0.2557","0.2684","","","","","","1.611","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026977","9.1999","0.0018","16.063","0.003","19.924","0.004","90","","90","","90","","2944.3","1","173","2","173","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C22 H18 Cl4 N6 O6 -","- C22 H18 Cl4 N6 O6 -","- C88 H72 Cl16 N24 O24 -","4","0.5","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.0375","0.0365","","","0.0893","0.0902","","","","","","1.083","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026978","7.782","0.0016","14.283","0.003","19.997","0.004","93.94","0.03","95.73","0.03","99.62","0.03","2172.2","0.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C44 H47 F8 N O10 -","- C44 H47 F8 N O10 -","- C88 H94 F16 N2 O20 -","2","1","","Sen Li; Shi-Xin Fa; Qi-Qiang Wang; De-Xian Wang; Mei-Xiang Wang","Synthesis and Structure of Oxacalix[2]arene[2]triazines of an Expanded π-Electron-Deficient Cavity and Their Interactions with Anions","Journal of Organic Chemistry","2012","77","","1860","1867","10.1021/jo2024448","","","0.71073","MoKα","","0.1081","0.0843","","","0.175","0.1894","","","","","","1.202","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026979","20.247","0.007","7.55","0.003","18.304","0.01","90","","120.519","0.003","90","","2410.4","1.8","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H11 N3 O2 -","- C14 H11 N3 O2 -","- C112 H88 N24 O16 -","8","1","","Ru-Long Yan; Hao Yan; Chao Ma; Zhi-Yong Ren; Xi-Ai Gao; Guo-Sheng Huang; Yong-Min Liang","Cu(I)-Catalyzed Synthesis of Imidazo[1,2-a]pyridines from Aminopyridines and Nitroolefins Using Air as the Oxidant","Journal of Organic Chemistry","2012","77","","2024","2028","10.1021/jo202447p","","","0.71073","MoKα","","0.0739","0.0505","","","0.1188","0.132","","","","","","1.03","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026980","18.0934","0.0003","8.1573","0.0002","21.2642","0.0004","90","","99.461","0.002","90","","3095.76","0.11","223","2","223","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H20 N2 -","- C19 H20 N2 -","- C152 H160 N16 -","8","1","","Rishikesh Narayan; Roland Fröhlich; Ernst-Ulrich Würthwein","Synthesis of Pyrroles through a 4π-Electrocyclic Ring-Closure Reaction of 1-Azapentadienyl Cations","Journal of Organic Chemistry","2012","77","","1868","1879","10.1021/jo202477h","","","0.71073","MoKα","","0.06","0.0515","","","0.1299","0.1381","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026981","15.4491","0.0018","15.4491","0.0018","11.464","0.003","90","","90","","120","","2369.6","0.7","200","2","200","2","","","","","","","","5","P -3","-P 3","147","","","","- C45 H39 I3 N5 O9 -","- C45 H39 I3 N5 O9 -","- C90 H78 I6 N10 O18 -","2","0.333333","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.0813","0.0489","","","0.1308","0.1484","","","","","","0.839","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4026982","15.421","0.0009","15.421","0.0009","11.4661","0.0016","90","","90","","120","","2361.4","0.4","200","2","200","2","","","","","","","","5","P -3","-P 3","147","","","","- C45 H39 Cl3 N5 O9 -","- C45 H39 Cl3 N5 O9 -","- C90 H78 Cl6 N10 O18 -","2","0.333333","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.1173","0.0561","","","0.1375","0.1571","","","","","","0.989","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026983","15.3378","0.0005","15.3378","0.0005","11.3656","0.0003","90","","90","","120","","2315.52","0.12","150","0.1","150","0.1","","","","","","","","6","P -3","-P 3","147","","","","- C92 H78 Br6 Cl1.98 N10 O18 -","- C92 H78 Br6 Cl1.98 N10 O18 -","- C92 H78 Br6 Cl1.98 N10 O18 -","1","0.166667","","Ashutosh S. Singh; Shih-Sheng Sun","Recognition, Encapsulation, and Selective Fluorescence Sensing of Nitrate Anion by Neutral C3-Symmetric Tripodal Podands Bearing Amide Functionality","Journal of Organic Chemistry","2012","77","","1880","1890","10.1021/jo202502f","","","0.71073","MoKα","","0.0511","0.0389","","","0.1008","0.1061","","","","","","1.069","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026984","15.4444","0.0007","15.8126","0.0005","16.7857","0.0009","90","","90","","90","","4099.3","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C168 H176 N16 O48 S8 -","8","1","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.1272","0.0655","","","0.1244","0.1451","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026985","16.9652","0.0008","11.2859","0.0005","10.6969","0.0005","90","","90","","90","","2048.11","0.16","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C21 H22 N2 O6 S -","- C21 H22 N2 O6 S -","- C84 H88 N8 O24 S4 -","4","1","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.0453","0.0395","","","0.0985","0.1022","","","","","","1.038","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026986","10.5604","0.0008","13.471","0.001","16.7672","0.0012","90.305","0.002","91.642","0.002","102.887","0.002","2324.1","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H30 Cl2 N2 O6 S -","- C18 H30 Cl2 N2 O6 S -","- C72 H120 Cl8 N8 O24 S4 -","4","2","","Patricia Chávez; Jonathan Kirsch; Jan Streuff; Kilian Muñiz","Palladium-Catalyzed Intramolecular Diamination of Acrylic Esters Using Sulfamates as Nitrogen Source","Journal of Organic Chemistry","2012","77","","1922","1930","10.1021/jo202507d","","","0.71073","MoKα","","0.0822","0.0511","","","0.118","0.1332","","","","","","1.039","","","","has coordinates,has disorder","178448","2020-10-21","18:00:00",""
"4026987","15.6955","0.0015","11.4214","0.001","24.763","0.002","90","","90","","90","","4439.1","0.7","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H28 O2 Si -","- C25 H28 O2 Si -","- C200 H224 O16 Si8 -","8","1","","Chengyu Wang; Yifeng Chen; Xin Xie; Jun Liu; Yuanhong Liu","Gold-Catalyzed Furan/Yne Cyclizations for the Regiodefined Assembly of Multisubstituted Protected 1-Naphthols","Journal of Organic Chemistry","2012","77","","1915","1921","10.1021/jo202541p","","","0.71073","MoKα","","0.0685","0.0533","","","0.1261","0.1354","","","","","","1.074","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026988","8.8063","0.0007","12.8761","0.001","19.984","0.0016","90","","90","","90","","2266","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H30 N2 O2 Pd -","- C24 H30 N2 O2 Pd -","- C96 H120 N8 O8 Pd4 -","4","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0165","0.016","","","0.0416","0.0419","","","","","","1.066","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4026989","12.1379","0.0012","7.2271","0.0007","13.099","0.0013","90","","96.2841","0.0015","90","","1142.16","0.19","163","2","163","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C25 H32 N2 O2 Pd -","- C25 H32 N2 O2 Pd -","- C50 H64 N4 O4 Pd2 -","2","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0219","0.0206","","","0.052","0.0528","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4026990","13.4182","0.0009","5.8548","0.0004","15.0836","0.001","90","","103.983","0.0007","90","","1149.87","0.13","103","2","103","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H28 N2 O2 Pd -","- C27 H28 N2 O2 Pd -","- C54 H56 N4 O4 Pd2 -","2","1","","Jeffrey S. Cannon; James H. Frederich; Larry E. Overman","Palladacyclic Imidazoline-Naphthalene Complexes: Synthesis and Catalytic Performance in Pd(II)-Catalyzed Enantioselective Reactions of Allylic Trichloroacetimidates","Journal of Organic Chemistry","2012","77","","1939","1951","10.1021/jo2025724","","","0.71073","MoKα","","0.0239","0.0231","","","0.0606","0.0613","","","","","","1.058","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026991","8.4643","0.0008","15.585","0.0014","15.6693","0.0014","61.0011","0.0009","81.5729","0.0011","75.0436","0.001","1746.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H43 B O2 -","- C44 H43 B O2 -","- C88 H86 B2 O4 -","2","1","","Guang-Liang Fu; Hong-Yu Zhang; Yi-Qiao Yan; Cui-Hua Zhao","p-Quaterphenyls Laterally Substituted with a Dimesitylboryl Group: A Promising Class of Solid-State Blue Emitters","Journal of Organic Chemistry","2012","77","","1983","1990","10.1021/jo202574n","","","0.71069","MoKα","","0.0951","0.0608","","","0.1769","0.2025","","","","","","1.085","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026992","11.739","0.008","15.319","0.01","28.17","0.02","90","","97.721","0.008","90","","5020","6","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H25 N O -","- C34 H25 N O -","- C272 H200 N8 O8 -","8","1","","Xiang-Chuan Wang; Ru-Long Yan; Mei-Jin Zhong; Yong-Min Liang","Bi(III)-Catalyzed Intermolecular Reactions of (Z)-Pent-2-en-4-yl Acetates with Ethynylarenes for the Construction of Multisubstituted Fluorene Skeletons through a Cascade Electrophilic Addition/Cycloisomerization Sequence","Journal of Organic Chemistry","2012","77","","2064","2068","10.1021/jo202607z","","","0.71073","MoKα","","0.2166","0.0815","","","0.1801","0.2483","","","","","","1.019","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026993","31.539","0.003","3.8967","0.0004","18.5813","0.0017","90","","114.991","0.005","90","","2069.8","0.4","293","2","293","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","","","- C8 H6 Br2 O5 -","- C8 H6 Br2 O5 -","- C64 H48 Br16 O40 -","8","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.0433","0.0381","","","0.1016","0.1061","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026994","11.3754","0.0003","18.5764","0.0006","10.7773","0.0002","90","","105.779","0.002","90","","2191.58","0.1","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 Br N O5 -","- C23 H20 Br N O5 -","- C92 H80 Br4 N4 O20 -","4","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.0892","0.063","","","0.1571","0.174","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026995","8.7822","0.0002","10.8031","0.0002","10.989","0.0002","85.777","0.001","82.92","0.001","82.235","0.001","1023.42","0.04","293","2","293","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C21 H16 Br N O5 -","- C21 H16 Br N O5 -","- C42 H32 Br2 N2 O10 -","2","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.0551","0.0439","","","0.1135","0.1218","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026996","8.3538","0.0001","29.5716","0.0005","23.3724","0.0004","90","","91.021","0.001","90","","5772.89","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C31.25 H25 Br N O6 -","- C31.25 H25 Br N O6 -","- C250 H200 Br8 N8 O48 -","8","4","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.1092","0.0745","","","0.1753","0.1917","","","","","","1.095","","","","has coordinates","178448","2020-10-21","18:00:00",""
"4026997","20.919","0.0009","24.1923","0.0016","15.2145","0.0007","90","","121.565","0.003","90","","6560.5","0.6","293","2","293","2","","","","","","","synthesis as described","4","C 1 2 1","C 2y","5","","","","- C63.5 H47 N2 O12.5 -","- C63.5 H47 N2 O12.5 -","- C254 H188 N8 O50 -","4","1","","Sravan K. Surampudi; G. Nagarjuna; Daiki Okamoto; Piyali D. Chaudhuri; D. Venkataraman","Apical Functionalization of Chiral Heterohelicenes","Journal of Organic Chemistry","2012","77","","2074","2079","10.1021/jo202623u","","x-ray","0.71073","MoKα","","0.1101","0.0967","","","0.2725","0.2931","","","","","","1.304","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4026998","10.1338","0.0009","10.1569","0.0009","16.9149","0.0015","90","","90","","90","","1741","0.3","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 N2 O3 S -","- C19 H20 N2 O3 S -","- C76 H80 N8 O12 S4 -","4","1","","Eri Kanno; Kenichi Yamanoi; Shunsuke Koya; Isao Azumaya; Hyuma Masu; Ryu Yamasaki; Shinichi Saito","[5 + 2] Cycloaddition Reaction of 2-Vinylaziridines and Sulfonyl Isocyanates. Synthesis of Seven-Membered Cyclic Ureas","Journal of Organic Chemistry","2012","77","","2142","2148","10.1021/jo201959a","","","0.71073","MoKα","","0.0376","0.0325","","","0.0729","0.0762","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4026999","6.9197","0.0002","14.4321","0.0004","10.8204","0.0004","90","","100.536","0.003","90","","1062.37","0.06","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 I2 N O -","- C8 H11 I2 N O -","- C32 H44 I8 N4 O4 -","4","1","","Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez","Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides","Journal of Organic Chemistry","2012","77","","2149","2158","10.1021/jo202130e","","","0.71073","MoKα","","0.0345","0.0248","","","0.0407","0.044","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027000","7.9762","0.0002","13.5692","0.0005","14.1525","0.0005","90","","90","","90","","1531.73","0.09","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H17 I2 N O3 -","- C11 H17 I2 N O3 -","- C44 H68 I8 N4 O12 -","4","1","","Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez","Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides","Journal of Organic Chemistry","2012","77","","2149","2158","10.1021/jo202130e","","","0.71073","MoKα","","0.0257","0.0227","","","0.0452","0.0463","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027001","5.8915","0.0004","6.4911","0.0004","8.4228","0.0005","107.971","0.006","101.168","0.006","105.691","0.006","281.14","0.04","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C11 H17 N O3 -","- C11 H17 N O3 -","- C11 H17 N O3 -","1","1","","Adele E. Pasqua; James J. Crawford; De-Liang Long; Rodolfo Marquez","Protecting Group Free, Stereocontrolled Synthesis of β-Halo-enamides","Journal of Organic Chemistry","2012","77","","2149","2158","10.1021/jo202130e","","","0.71073","MoKα","","0.068","0.0473","","","0.092","0.1022","","","","","","1.026","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027002","7.5846","0.0007","5.833","0.0005","11.8172","0.0011","90","","90.213","0.002","90","","522.8","0.08","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","Alphatriol","","","- C10 H16 O5 -","- C10 H16 O5 -","- C20 H32 O10 -","2","1","","Paresh M. Vadhadiya; Vedavati G. Puranik; C. V. Ramana","The Total Synthesis and Structural Revision of Stagonolide D","Journal of Organic Chemistry","2012","77","","2169","2175","10.1021/jo202138g","","","0.71073","MoKα","","0.0337","0.0305","","","0.0697","0.0713","","","","","","1.055","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027003","8.5066","0.0001","10.9081","0.0001","12.4869","0.0001","97.629","0.001","98.612","0.001","105.779","0.001","1083.96","0.02","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H27 B O -","- C25 H27 B O -","- C50 H54 B2 O2 -","2","1","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0562","0.0478","","","0.128","0.1377","","","","","","1.025","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027004","17.0358","0.0004","17.6527","0.0005","18.1968","0.0006","74.203","0.002","70.754","0.002","88.57","0.002","4958.7","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H32 B N -","- C31 H32 B N -","- C248 H256 B8 N8 -","8","4","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0757","0.0549","","","0.1368","0.1516","","","","","","1.013","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027005","12.204","0.001","15.3764","0.0005","16.6166","0.0007","116.404","0.005","92.153","0.003","99.484","0.003","2732.9","0.3","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C35 H34 B N -","- C35 H34 B N -","- C140 H136 B4 N4 -","4","2","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0713","0.0501","","","0.1184","0.1331","","","","","","1.01","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027006","9.569","0.002","13.299","0.003","17.327","0.004","90","","102.286","0.0011","90","","2154.5","0.8","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C56 H58 B2 N2 -","- C56 H58 B2 N2 -","- C112 H116 B4 N4 -","2","0.5","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","0.7107","MoKα","","0.1265","0.0812","","","0.1957","0.2379","","","","","","1.095","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027007","37.6706","0.0014","8.0291","0.0005","21.1282","0.0005","90","","121.608","0.002","90","","5442.5","0.4","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H64 B2 Cl4 N2 -","- C62 H64 B2 Cl4 N2 -","- C248 H256 B8 Cl16 N8 -","4","0.5","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","1.54178","CuKα","","0.0732","0.0612","","","0.1593","0.1704","","","","","","1.041","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027008","9.2141","0.0002","11.7224","0.0003","14.3987","0.0004","90.686","0.001","101.238","0.001","92.383","0.001","1523.76","0.07","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H37 B Cl2 N2 O -","- C36 H37 B Cl2 N2 O -","- C72 H74 B2 Cl4 N4 O2 -","2","1","","Benedikt Neue; Roland Fröhlich; Birgit Wibbeling; Aiko Fukazawa; Atsushi Wakamiya; Shigehiro Yamaguchi; Ernst-Ulrich Würthwein","Synthesis and Photophysical Properties of Aryl-Substituted 2-Borylbenzaldimines and Their Extended π-Conjugated Congeners","Journal of Organic Chemistry","2012","77","","2176","2184","10.1021/jo202212s","","","0.71073","MoKα","","0.0801","0.0737","","","0.1825","0.1909","","","","","","1.04","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027009","12.0642","0.0006","12.2497","0.0008","18.74","0.001","90","","94.866","0.005","90","","2759.5","0.3","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H32 Cl2 N4 O14 -","- C22 H34 Cl2 N4 O14 -","- C88 H136 Cl8 N16 O56 -","4","1","","Stefano Amatori; Gianluca Ambrosi; Mirco Fanelli; Mauro Formica; Vieri Fusi; Luca Giorgi; Eleonora Macedi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Synthesis, Basicity, Structural Characterization, and Biochemical Properties of Two [(3-Hydroxy-4-pyron-2-yl)methyl]amine Derivatives Showing Antineoplastic Features.","Journal of Organic Chemistry","2012","77","","2207","2218","10.1021/jo202270j","","","0.71073","MoKα","","0.082","0.038","","","0.0742","0.0857","","","","","","0.907","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027010","7.871","0.002","8.087","0.003","10.307","0.004","72.08","0.03","67.16","0.03","76.62","0.02","570.6","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C8 H13 Cl N O8 -","- C8 H13 Cl N O8 -","- C16 H26 Cl2 N2 O16 -","2","1","","Stefano Amatori; Gianluca Ambrosi; Mirco Fanelli; Mauro Formica; Vieri Fusi; Luca Giorgi; Eleonora Macedi; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi","Synthesis, Basicity, Structural Characterization, and Biochemical Properties of Two [(3-Hydroxy-4-pyron-2-yl)methyl]amine Derivatives Showing Antineoplastic Features.","Journal of Organic Chemistry","2012","77","","2207","2218","10.1021/jo202270j","","","0.71069","MoKα","","0.0868","0.0627","","","0.1673","0.1893","","","","","","1.032","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027011","8.7086","0.0005","11.9726","0.0006","12.5052","0.0007","93.149","0.003","105.062","0.003","100.435","0.003","1231.07","0.12","150","1","150","1","","","","","","","","6","P -1","-P 1","2","","","","- C31 H19 B N6 O3 S -","- C31 H19 B N6 O3 S -","- C62 H38 B2 N12 O6 S2 -","2","1","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.1436","0.0675","","","0.1534","0.1931","","","","","","1.03","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027012","28.6367","0.0011","10.6211","0.0005","16.0322","0.0004","90","","93.147","0.002","90","","4868.9","0.3","150","1","150","1","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C25 H15 B N6 O3 S -","- C25 H15 B N6 O3 S -","- C200 H120 B8 N48 O24 S8 -","8","1","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.1381","0.065","","","0.1571","0.1847","","","","","","0.961","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027013","20.0996","0.0003","11.4689","0.0005","19.5158","0.0004","90","","90","","90","","4498.8","0.2","150","1","150","1","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C25.5 H16 B Cl N6 O3 S -","- C25.5 H16 B Cl N6 O3 S -","- C204 H128 B8 Cl8 N48 O24 S8 -","8","2","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.0999","0.0561","","","0.1328","0.1601","","","","","","1.021","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027014","8.6104","0.0003","12.0076","0.0004","12.6012","0.0006","93.8835","0.0017","104.724","0.0017","100.18","0.0015","1231.5","0.08","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C30 H16 B Cl N6 O3 S -","- C30 H16 B Cl N6 O3 S -","- C60 H32 B2 Cl2 N12 O6 S2 -","2","1","","Andrew S. Paton; Graham E. Morse; David Castelino; Timothy P. Bender","Pseudohalides of Boron Subphthalocyanine","Journal of Organic Chemistry","2012","77","","2531","2536","10.1021/jo202365x","","","0.71073","MoKα","","0.0534","0.041","","","0.1052","0.1131","","","","","","1.031","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027015","7.4612","0.0003","9.3954","0.0003","11.6354","0.0005","77.585","0.002","84.603","0.003","69.277","0.002","744.9","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H19 N O2 S -","- C15 H19 N O2 S -","- C30 H38 N2 O4 S2 -","2","1","","Somasekhar Bondalapati; Paramartha Gogoi; Kiran Indukuri; Anil K. Saikia","Diastereoselective Synthesis of Substituted Tetrahydrothiopyrans via (3,5)-Thionium-Ene Cyclization Reaction","Journal of Organic Chemistry","2012","77","","2508","2512","10.1021/jo2023944","","","0.71073","MoKα","","0.0685","0.0452","","","0.1179","0.1256","","","","","","1.029","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027016","9.953","0.003","22.576","0.005","23.586","0.006","90","","97.836","0.018","90","","5250","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H24 S -","- C21 H23.3333 S -","- C252 H280 S12 -","12","3","","Somasekhar Bondalapati; Paramartha Gogoi; Kiran Indukuri; Anil K. Saikia","Diastereoselective Synthesis of Substituted Tetrahydrothiopyrans via (3,5)-Thionium-Ene Cyclization Reaction","Journal of Organic Chemistry","2012","77","","2508","2512","10.1021/jo2023944","","","0.71073","MoKα","","0.137","0.0775","","","0.2011","0.2468","","","","","","1.035","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027017","10.8115","0.0015","8.1263","0.0011","15.801","0.003","90","","116.867","0.002","90","","1238.4","0.3","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 B F4 O -","- C13 H13 B F4 O -","- C52 H52 B4 F16 O4 -","4","1","","Arumugam Thangavel; Chariklia Sotiriou-Leventis; Richard Dawes; Nicholas Leventis","Orientation of Pyrylium Guests in Cucurbituril Hosts","Journal of Organic Chemistry","2012","77","","2263","2271","10.1021/jo202434z","","","0.71073","MoKα","","0.0682","0.0435","","","0.093","0.102","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027018","11.943","0.0008","16.0684","0.001","16.8946","0.0008","82.311","0.004","81.842","0.005","78.038","0.005","3121.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C137 H155 Cl3 N4 O16 -","- C137 H155 Cl3 N4 O16 -","- C137 H155 Cl3 N4 O16 -","1","0.5","","Chia-Chen Tsai; I-Ting Ho; Jean-Ho Chu; Li-Ching Shen; Shou-Ling Huang; Wen-Sheng Chung","Synthesis of 9,10-Bis-ketoenaminoanthryl and 9,10-Bis-isoxazolylanthryl Linked Biscalix[4]arenes: Atropisomers and Molecular Recognitions","Journal of Organic Chemistry","2012","77","","2254","2262","10.1021/jo2024784","","","1.54178","CuKα","","0.138","0.1173","","","0.3066","0.3222","","","","","","2.333","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027019","8.3584","0.001","10.8267","0.0014","14.0001","0.0018","69.264","0.003","85.675","0.003","82.217","0.003","1173.4","0.3","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H35 N O8 -","- C23 H35 N O8 -","- C46 H70 N2 O16 -","2","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.0552","","","","0.1696","","","","","","1.111","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027020","7.8196","0.0004","28.2633","0.001","8.4619","0.0003","90","","95.6773","0.0011","90","","1860.97","0.13","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H25 N O8 -","- C17 H25 N O8 -","- C68 H100 N4 O32 -","4","2","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.0456","","","","0.1584","","","","","","1.061","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027021","7.75079","0.00014","17.8174","0.0003","11.3873","0.0002","90","","94.587","0.001","90","","1567.54","0.05","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O6 -","- C16 H17 N O6 -","- C64 H68 N4 O24 -","4","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","1.54187","CuKα","","0.0367","0.0342","","","0.0866","0.0881","","","","","","1.055","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027022","7.717","0.002","10.035","0.003","9.992","0.003","90","","102.451","0.008","90","","755.6","0.4","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H21 N O6 -","- C14 H21 N O6 -","- C28 H42 N2 O12 -","2","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.7107","MoKα","","0.0329","0.0317","","","0.0784","0.0796","","","","","","1.072","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027023","10.888","0.002","11.294","0.002","15.876","0.003","78.3","0.03","79.01","0.03","61.71","0.03","1673.2","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H19 Ag N O6 -","- C13 H20 Ag N O6 -","- C52 H80 Ag4 N4 O24 -","4","2","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71073","MoKα","","0.0894","0.0607","","","0.1879","0.213","","","","","","1.113","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027024","10.1204","0.0012","17.7","0.002","26.514","0.004","90","","90","","90","","4749.5","1.1","296","","296","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C23 H35 N O8 -","- C23 H35 N O8 -","- C184 H280 N8 O64 -","8","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.1108","","","","0.3432","","","","","","1.112","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027025","6.0984","0.0004","21.6451","0.0013","17.4041","0.0011","90","","102.572","0.0018","90","","2242.3","0.2","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C96 H116 N4 O24 -","4","1","","Akio Kamimura; Ryota Takeuchi; Kosuke Ikeda; Takaaki Moriyama; Michinori Sumimoto","Stereoselective Synthesis of 1-Nitrobicyclo[3.1.0]hexanes and Fused Isoxazoline-N-oxides from Primary Nitro Compounds","Journal of Organic Chemistry","2012","77","","2236","2245","10.1021/jo202489v","","","0.71075","MoKα","","","0.0945","","","","0.3391","","","","","","1.099","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027026","5.9681","0.0002","10.2367","0.0005","14.6203","0.0008","90","","90","","90","","893.21","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-(S)-tetrahydrofuran-2-yl)propanal","","- C9 H16 O3 -","- C9 H16 O3 -","- C36 H64 O12 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0375","0.0352","","","0.0868","0.0881","","","","","","1.082","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027027","10.864","0.002","13.608","0.003","15.939","0.003","90","","90","","90","","2356.4","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-((4R, 5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl) propanal","","- C11 H20 O4 -","- C11 H20 O4 -","- C88 H160 O32 -","8","2","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0374","0.0357","","","0.0988","0.0998","","","","","","1.116","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027028","8.6771","0.0003","10.9779","0.0003","16.9366","0.0005","90","","90","","90","","1613.32","0.09","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-Hydroxy-2,2-dimethyl-3-((4R, 4'R, 5R)-2,2,2',2' -tetramethyl-4,4'-bi(1,3-dioxolan)-5-yl)propanal","","- C15 H26 O6 -","- C15 H26 O6 -","- C60 H104 O24 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0414","0.0347","","","0.0869","0.0893","","","","","","1.019","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027029","10.1592","0.0014","6.5759","0.0007","14.314","0.002","90","","92.95","0.012","90","","955","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","3-(S)-hydroxy-4-(R)-methyl-4-phenyl-dihydro-furan-2-one","","- C11 H12 O3 -","- C11 H12 O3 -","- C44 H48 O12 -","4","2","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0875","0.0787","","","0.221","0.2257","","","","","","1.082","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027030","6.0355","0.0004","8.5641","0.0004","8.9483","0.0006","90","","104.406","0.005","90","","447.98","0.05","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3S, 4S, 5R)-3-Ethyl-5-(hydroxymethyl)-3-methyltetrahydrofuran-2,4-diol","","- C8 H16 O4 -","- C8 H16 O4 -","- C16 H32 O8 -","2","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0358","0.0275","","","0.0519","0.0532","","","","","","0.859","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027031","11.0893","0.0007","6.3495","0.0003","13.239","0.0008","90","","96.008","0.005","90","","927.06","0.09","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","(3R, 4R, 5R)-3-Ethyl-3-methyltetrahydro-2H-pyran-2,4,5-triol","","- C32 H64 O16 -","- C32 H64 O16 -","- C32 H64 O16 -","1","0.5","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0797","0.0718","","","0.1959","0.2213","","","","","","1.085","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027032","7.6824","0.0012","8.4578","0.0016","10.8731","0.0017","90","","93.655","0.018","90","","705.1","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H22 O6 -","- C12 H22 O6 -","- C24 H44 O12 -","2","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0505","0.0485","","","0.1254","0.1273","","","","","","1.095","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027033","7.9057","0.0016","9.811","0.002","19.575","0.005","90","","90","","90","","1518.3","0.6","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","1(R)-((4R,5S)-4-(Hydroxymethyl)-2,2,5-trimethyl-1,3-dioxolan-4-yl) ((4S,5S)-2,2,5-trimethyl-1,3-dioxolan-4-yl)methanol","","- C14 H26 O6 -","- C14 H26 O6 -","- C56 H104 O24 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0524","0.0441","","","0.1258","0.1323","","","","","","1.182","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027034","11.3676","0.0006","12.1304","0.0006","11.3295","0.0006","90","","90.147","0.004","90","","1562.26","0.14","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-isopropyl-5,5-dimethyl-6-phenethyl-1,3-dioxan-4-ol","","- C17 H26 O3 -","- C17 H26 O3 -","- C68 H104 O12 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0551","0.0466","","","0.1295","0.1353","","","","","","1.007","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027035","6.6073","0.0002","10.3686","0.0004","15.9951","0.0004","90","","90","","90","","1095.8","0.06","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(S)-3-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)-3-hydroxy-2,2-dimethylpropanal","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0398","0.0365","","","0.0937","0.0954","","","","","","1.069","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027036","8.7936","0.0007","8.8297","0.0009","20.9298","0.001","90","","90","","90","","1625.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 Br O4 -","- C17 H21 Br O4 -","- C68 H84 Br4 O16 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0451","0.0404","","","0.0811","0.0924","","","","","","1.15","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027037","7.3165","0.0003","9.6178","0.0003","26.2338","0.0009","90","","90","","90","","1846.04","0.11","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O6 Si -","- C16 H30 O6 Si -","- C64 H120 O24 Si4 -","4","1","","Ulf Scheffler; Rainer Mahrwald","Histidine-Catalyzed Asymmetric Aldol Addition of Enolizable Aldehydes: Insights into its Mechanism","Journal of Organic Chemistry","2012","77","","2310","2330","10.1021/jo202558f","","","0.71073","MoKα","","0.0502","0.0449","","","0.1103","0.1127","","","","","","1.033","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027038","13.2733","0.0004","13.6491","0.0004","19.3858","0.0004","79.467","0.002","87.473","0.002","72.882","0.002","3299.78","0.16","170","","170","","","","101","","","","","5","P -1","-P 1","2","","","","- C59 H84 F6 O11 S6 -","- C59 H84 F6 O11 S6 -","- C118 H168 F12 O22 S12 -","2","1","","Ondrej Kundrat; Hana Dvorakova; Stanislav Böhm; Vaclav Eigner; Pavel Lhotak","S-Alkylation of Thiacalixarenes: How the Regio- and Stereoselectivities Depend on the Starting Conformation","Journal of Organic Chemistry","2012","77","","2272","2278","10.1021/jo202571h","","","1.5418","CuKα","","0.057","0.0542","","0.168","0.161","0.168","","","","","","1.0153","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027039","8.8","0.0002","18.12","0.0002","25.465","0.0004","94.159","0.0009","91.18","0.0007","98.499","0.0009","4003.36","0.12","150","","150","","","","101","","","","","5","P -1","-P 1","2","","","","- C38 H43 F3 O7 S5 -","- C38 H43 F3 O7 S5 -","- C152 H172 F12 O28 S20 -","4","2","","Ondrej Kundrat; Hana Dvorakova; Stanislav Böhm; Vaclav Eigner; Pavel Lhotak","S-Alkylation of Thiacalixarenes: How the Regio- and Stereoselectivities Depend on the Starting Conformation","Journal of Organic Chemistry","2012","77","","2272","2278","10.1021/jo202571h","","","0.71073","MoKα","","0.0702","0.0468","","0.1314","0.1196","0.1314","","","","","","0.9621","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027040","58.012","0.006","6.97","0.0006","10.0048","0.0009","90","","95.132","0.003","90","","4029.2","0.7","100","2","100","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C51 H60 N4 -","- C51 H60 N4 -","- C204 H240 N16 -","4","1","","Andrzej Rajca; Przemysław J. Boratyński; Arnon Olankitwanit; Kouichi Shiraishi; Maren Pink; Suchada Rajca","Ladder Oligo(m-aniline)s: Derivatives of Azaacenes with Cross-Conjugated π-Systems","Journal of Organic Chemistry","2012","77","","2107","2120","10.1021/jo2025948","","","0.49595","","","0.1696","0.0786","","","0.1798","0.2202","","","","","","0.892","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027041","9.9728","0.0008","13.2397","0.001","15.0024","0.0011","93.158","0.001","97.343","0.001","104.503","0.001","1894.2","0.3","191","2","191","2","","","","","","","","4","P -1","-P 1","2","","","","- C69 H5 N S4 -","- C70 H5 N S4 -","- C140 H10 N2 S8 -","2","1","","Hui-Lei Hou; Xiang Gao","Aerobic Oxidations of C602- in the Presence of PhCN and PhCH2CN: Oxygenation versus Dehydrogenation Reactions","Journal of Organic Chemistry","2012","77","","2553","2558","10.1021/jo202616j","","","0.71073","MoKα","","0.073","0.0557","","","0.1562","0.1724","","","","","","1.063","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027042","11.2502","0.0011","22.633","0.002","5.7548","0.0005","90","","90","","90","","1465.3","0.2","173","2","173","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C15 H21 N O5 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","Franklin A. Davis; Narendra V. Gaddiraju; Naresh Theddu; Joshua R. Hummel; Sandeep K. Kondaveeti; Michael J. Zdilla","Enantioselective Synthesis of Cocaine C-1 Analogues using Sulfinimines (N-Sulfinyl Imines)","Journal of Organic Chemistry","2012","77","","2345","2359","10.1021/jo202652f","","","1.54178","CuKα","","0.0488","0.0407","","","0.0972","0.1033","","","","","","1.062","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027043","7.7904","0.0004","11.2095","0.0007","15.2472","0.0008","90","","112.16","0.004","90","","1233.13","0.12","210","2","210","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","7-methoxy-8-(4-methyl-3-furyl)-2H-chromen-2-one","","- C15 H21 O4 -","- C15 H12 O4 -","- C60 H48 O16 -","4","1","","Bernd Schmidt; Stefan Krehl; Alexandra Kelling; Uwe Schilde","Synthesis of 8-Aryl-Substituted Coumarins Based on Ring-Closing Metathesis and Suzuki-Miyaura Coupling: Synthesis of a Furyl Coumarin Natural Product from Galipea panamensis","Journal of Organic Chemistry","2012","77","","2360","2367","10.1021/jo2026564","","","0.71073","MoKα","","0.0679","0.0575","","","0.1711","0.1799","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027044","6.0574","0.0005","11.2877","0.0012","21.5246","0.0016","90","","105.601","0.006","90","","1417.5","0.2","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","(3,3,7,7-tetramethylhexahydro-1H-[1,4,2]oxazasilino [4,5-d][1,4,2]oxazasilin-9a-yl)methanol","","- C10 H23 N O3 Si2 -","- C10 H23 N O3 Si2 -","- C40 H92 N4 O12 Si8 -","4","1","","Nataliya F. Lazareva; Bagrat A. Shainyan; Uwe Schilde; Nina N. Chipanina; Larisa P. Oznobikhina; Alexander I. Albanov; Erich Kleinpeter","Synthesis, Molecular Structure, Conformational Analysis, and Chemical Properties of Silicon-Containing Derivatives of Quinolizidine","Journal of Organic Chemistry","2012","77","","2382","2388","10.1021/jo202658n","","","0.71073","MoKα","","0.0706","0.0441","","","0.1056","0.1208","","","","","","0.974","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027045","9.729","0.004","17.138","0.007","15.269","0.006","90","","92.418","0.005","90","","2543.6","1.8","294","2","294","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 F N O5 S -","- C27 H26 F N O5 S -","- C108 H104 F4 N4 O20 S4 -","4","1","","Feng Li; Jing Nie; Jun-Wei Wu; Yan Zheng; Jun-An Ma","Stereoselective Synthesis of Fluorinated 2,3-Dihydroquinolin-4(1H)-ones via a One-Pot Multistep Transformation","Journal of Organic Chemistry","2012","77","","2398","2406","10.1021/jo202693x","","","0.71073","MoKα","","0.0668","0.0514","","","0.1253","0.1372","","","","","","1.051","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027046","8.999","0.0006","10.3477","0.0004","13.9922","0.0011","83.058","0.012","84.028","0.013","77.561","0.012","1258.93","0.15","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H28 F N O5 S -","- C27 H28 F N O5 S -","- C54 H56 F2 N2 O10 S2 -","2","1","","Feng Li; Jing Nie; Jun-Wei Wu; Yan Zheng; Jun-An Ma","Stereoselective Synthesis of Fluorinated 2,3-Dihydroquinolin-4(1H)-ones via a One-Pot Multistep Transformation","Journal of Organic Chemistry","2012","77","","2398","2406","10.1021/jo202693x","","","0.71073","MoKα","","0.0502","0.0418","","","0.1085","0.1156","","","","","","1.038","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027047","16.968","0.003","7.1256","0.0013","18.778","0.003","90","","94.56","0.006","90","","2263.2","0.7","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H25 N3 O4 -","- C21 H25 N3 O4 -","- C84 H100 N12 O16 -","4","1","","Jared W. Rigoli; Luke A. Boralsky; John C. Hershberger; Dagmara Marston; Alan R. Meis; Ilia A. Guzei; Jennifer M. Schomaker","1,4-Diazaspiro[2.2]pentanes as a Flexible Platform for the Synthesis of Diamine-Bearing Stereotriads","Journal of Organic Chemistry","2012","77","","2446","2455","10.1021/jo3000282","","","1.54178","CuKα","","0.0355","0.034","","","0.0958","0.0973","","","","","","0.982","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027048","28.868","0.006","16.245","0.003","48.477","0.01","90","","106.04","0.03","90","","21849","8","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C94 H107 F24 N5 O12 P4 -","- C94 H107 F24 N5 O12 P4 -","- C752 H856 F192 N40 O96 P32 -","8","1","","Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen","Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes","Journal of Organic Chemistry","2012","77","","2422","2430","10.1021/jo3000755","","","0.71073","MoKα","","0.1843","0.1362","","","0.3203","0.3434","","","","","","1.631","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027049","13.274","0.002","16.473","0.003","21.939","0.004","73.342","0.012","76.401","0.012","71.387","0.011","4300.7","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C88 H96 F24 N4 O16 P4 -","- C88 H96 F24 N4 O16 P4 -","- C176 H192 F48 N8 O32 P8 -","2","1","","Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen","Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes","Journal of Organic Chemistry","2012","77","","2422","2430","10.1021/jo3000755","","","0.71073","MoKα","","0.1797","0.1456","","","0.3436","0.3608","","","","","","2.025","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027050","12.469","0.003","13.495","0.004","13.729","0.003","61.238","0.011","64.049","0.013","78.738","0.016","1820.6","0.8","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H82 F12 N2 O14 P2 -","- C76 H82 F12 N2 O14 P2 -","- C76 H82 F12 N2 O14 P2 -","1","0.5","","Ying Han; Hai-Yan Lu; Qian-Shou Zong; Jia-Bin Guo; Chuan-Feng Chen","Synthesis of Triptycene-Derived Macrotricyclic Host Containing Two Dibenzo-[18]-crown-6 Moieties and Its Complexation with Paraquat Derivatives: Li±Ion-Controlled Binding and Release of the Guests in the Complexes","Journal of Organic Chemistry","2012","77","","2422","2430","10.1021/jo3000755","","","0.71073","MoKα","","0.0958","0.0806","","","0.2055","0.2196","","","","","","1.077","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027051","12.16","0.0008","13.2309","0.0009","13.6965","0.001","72.112","0.007","68.34","0.007","75.152","0.006","1923.4","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H35 Cl2 N5 Ni0.05 O -","- C52 H35 Cl2 N5 Ni0.05 O -","- C104 H70 Cl4 N10 Ni0.1 O2 -","2","1","","Xiaofang Li; Bin Liu; Xianyong Yu; Pinggui Yi; Rongqiong Yi; Piotr J. Chmielewski","1,3-Dipolar Cycloaddition of 2,6-Dichlorobenzonitrile Oxide to 2-Methyl-N-confused Porphyrin. Regio- and Stereoselective Synthesis and Structural Characterization of 2-Aza-21-carbabacteriochlorin and Resolution of 2-Aza-21-carbachlorin Enantiomers","Journal of Organic Chemistry","2012","77","","2431","2440","10.1021/jo3000817","","","0.71073","MoKα","","0.1656","0.0649","","","0.1414","0.1587","","","","","","0.824","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027052","12.1898","0.0005","27.885","0.001","17.4845","0.0007","90","","102.235","0.004","90","","5808.2","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C63.5 H45.5 Cl8.5 N6 O2 -","- C63.5 H45.5 Cl8.5 N6 O2 -","- C254 H182 Cl34 N24 O8 -","4","1","","Xiaofang Li; Bin Liu; Xianyong Yu; Pinggui Yi; Rongqiong Yi; Piotr J. Chmielewski","1,3-Dipolar Cycloaddition of 2,6-Dichlorobenzonitrile Oxide to 2-Methyl-N-confused Porphyrin. Regio- and Stereoselective Synthesis and Structural Characterization of 2-Aza-21-carbabacteriochlorin and Resolution of 2-Aza-21-carbachlorin Enantiomers","Journal of Organic Chemistry","2012","77","","2431","2440","10.1021/jo3000817","","","0.71073","MoKα","","0.1398","0.0627","","","0.1463","0.1628","","","","","","0.939","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027053","12.564","0.002","15.406","0.004","19.363","0.003","89.76","0.02","80.24","0.01","79.32","0.02","3628.3","1.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C131 H94 Cl6 N16 S32 -","- C131 H94 Cl6 N16 S32 -","- C131 H94 Cl6 N16 S32 -","1","0.5","","Marie Hardouin-Lerouge; Bertrand Chesneau; Magali Allain; Piétrick Hudhomme","Dual Signaling System with an Extended-Tetrathiafulvalene-Phenanthroline Dyad Acting as an Electrooptical Cation Chemosensor","Journal of Organic Chemistry","2012","77","","2441","2445","10.1021/jo300101c","","x-ray","0.71073","MoKα","","","0.1342","","","","0.351","","","","","","1.107","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027054","14.809","0.002","17.264","0.003","19.65","0.004","88.48","0.005","73.52","0.004","82.88","0.005","4780","1.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C299 H136 O40 S2 -","- C299 H136 O40 S2 -","- C299 H136 O40 S2 -","1","0.5","","Huan Huang; Gang Zhang; Sisi Liang; Nana Xin; Liangbing Gan","Selective Synthesis of Fullerenol Derivatives with Terminal Alkyne and Crown Ether Addends","Journal of Organic Chemistry","2012","77","","2456","2462","10.1021/jo300118h","","","0.71073","MoKα","","0.1413","0.1298","","","0.3344","0.3468","","","","","","1.088","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027055","20.5963","0.0017","10.163","0.0007","15.4331","0.0011","90","","90","","90","","3230.5","0.4","290","1","290","1","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C19 H17 N O3 -","- C19 H17 N O3 -","- C152 H136 N8 O24 -","8","1","","Kyoung A Jo; Muchchintala Maheswara; Eunyoung Yoon; Yun Yeong Lee; Hoseop Yun; Eun Joo Kang","N-Heterocyclic Carbene Catalyzed Domino Cyclization of Propargylic Alcohols and Benzoyl Isocyanates","Journal of Organic Chemistry","2012","77","","2924","2928","10.1021/jo202102y","","","0.71073","MoKα","","0.1418","0.052","","","0.0949","0.1196","","","","","","0.966","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027056","10.16","0.004","10.464","0.004","10.644","0.004","90","","113.854","0.005","90","","1034.9","0.7","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H26 S2 Si3 -","- C16 H26 S2 Si3 -","- C32 H52 S4 Si6 -","2","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.044","0.0399","","","0.1024","0.1058","","","","","","1.106","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027057","21.037","0.005","11.731","0.003","10.746","0.003","90","","92.84","0.004","90","","2648.7","1.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H34 S2 Si4 -","- C19 H34 S2 Si4 -","- C76 H136 S8 Si16 -","4","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.0452","0.0358","","","0.1026","0.1085","","","","","","1.005","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027058","13.2682","0.0014","13.7288","0.0014","17.4654","0.0018","90","","90","","90","","3181.4","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 S4 Si4 -","- C26 H34 S4 Si4 -","- C104 H136 S16 Si16 -","4","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.0333","0.0288","","","0.073","0.0752","","","","","","1.041","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027059","13.753","0.007","14.627","0.007","14.647","0.012","98.458","0.011","110.078","0.011","117.942","0.007","2270","2","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H25 Br S2 Si3 -","- C16 H25 Br S2 Si3 -","- C64 H100 Br4 S8 Si12 -","4","2","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.1171","0.0742","","","0.2138","0.2325","","","","","","1.084","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027060","9.575","0.003","19.537","0.005","10.714","0.003","90","","109.511","0.003","90","","1889.1","0.9","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Br2 S2 Si2 -","- C13 H16 Br2 S2 Si2 -","- C52 H64 Br8 S8 Si8 -","4","1","","Jincan Zhao; Dongfang Qiu; Jianwu Shi; Hua Wang","Synthesis of Dithieno[2,3-b:4',3'-d]siloles and Their Selective Bromination","Journal of Organic Chemistry","2012","77","","2929","2934","10.1021/jo202111z","","","0.71073","MoKα","","0.0601","0.0327","","","0.0728","0.0781","","","","","","1.018","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027061","9.5026","0.0004","34.1358","0.0013","9.7418","0.0004","90","","116.922","0.0009","90","","2817.6","0.2","293","","293","","","","","","","","synthesis as described","6","P 1 21/a 1","-P 2yab","14","","","","- C10 H15 Cl8 Ir O5 Sn3 -","- C10 H15 Cl8 Ir O5 Sn3 -","- C40 H60 Cl32 Ir4 O20 Sn12 -","4","1","","Arnab Kumar Maity; Sujit Roy","A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions","Journal of Organic Chemistry","2012","77","","2935","2941","10.1021/jo202359e","","x-ray","0.71073","MoKα","","0.0813","0.0659","","","0.1484","0.1529","","","","","","1.299","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4027062","5.985","0.005","7.913","0.005","27.626","0.005","90","0.005","90","0.005","90","0.005","1308.3","1.4","293","","293","","","","","","","","synthesis as described","5","P c 21 n","P -2n -2ac","33","","","","- C15 H13 N O S -","- C15 H13 N O S -","- C60 H52 N4 O4 S4 -","4","1","","Arnab Kumar Maity; Sujit Roy","A Multimetallic Piano-Stool Ir-Sn3 Catalyst for Nucleophilic Substitution Reaction of γ-Hydroxy Lactams through N-Acyliminium Ions","Journal of Organic Chemistry","2012","77","","2935","2941","10.1021/jo202359e","","x-ray","0.71073","MoKα","","0.1037","0.0783","","","0.2321","0.2699","","","","","","1.06","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027063","10.4119","0.0004","12.2748","0.0004","10.7295","0.0004","90","","110.58","0.004","90","","1283.76","0.09","293","2","293","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl N4 O -","- C12 H15 Cl N4 O -","- C48 H60 Cl4 N16 O4 -","4","1","","Ping Yin; Nan Liu; Yu-Xing Deng; Yue Chen; Yong Deng; Ling He","Synthesis of 2,4-Diaminoquinazolines and Tricyclic Quinazolines by Cascade Reductive Cyclization of Methyl N-Cyano-2-nitrobenzimidates","Journal of Organic Chemistry","2012","77","","2649","2658","10.1021/jo2023697","","","0.7107","MoKα","","0.0639","0.0433","","","0.0955","0.1084","","","","","","1.043","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027064","5.80481","0.00014","14.0954","0.0004","11.0624","0.0003","90","","93.634","0.002","90","","903.32","0.04","150.1","","150.1","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N3 O -","- C11 H11 N3 O -","- C44 H44 N12 O4 -","4","1","","Ping Yin; Nan Liu; Yu-Xing Deng; Yue Chen; Yong Deng; Ling He","Synthesis of 2,4-Diaminoquinazolines and Tricyclic Quinazolines by Cascade Reductive Cyclization of Methyl N-Cyano-2-nitrobenzimidates","Journal of Organic Chemistry","2012","77","","2649","2658","10.1021/jo2023697","","","0.7107","MoKα","","0.0669","0.0531","","","0.1218","0.1321","","","","","","1.042","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027065","8.872","0.002","9.192","0.0019","10.178","0.002","103.813","0.011","110.457","0.012","105.347","0.011","697.7","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H17 N O2 Se -","- C13 H17 N O2 Se -","- C26 H34 N2 O4 Se2 -","2","1","","T. M. Vishwanatha; N. Narendra; Basab Chattopadhyay; Monika Mukherjee; Vommina V. Sureshbabu","Synthesis of Selenoxo Peptides and Oligoselenoxo Peptides Employing LiAlHSeH","Journal of Organic Chemistry","2012","77","","2689","2702","10.1021/jo2024703","","","0.71073","MoKα","","0.2728","0.0425","","","0.0895","0.1246","","","","","","0.947","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027066","6.611","0.003","14.222","0.006","20.57","0.009","90","","90","","90","","1934","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H17 Br N2 O4 -","- C21 H17 Br N2 O4 -","- C84 H68 Br4 N8 O16 -","4","1","","Jian-Fei Bai; Liang-Liang Wang; Lin Peng; Yun-Long Guo; Li-Na Jia; Fang Tian; Guang-Yun He; Xiao-Ying Xu; Li-Xin Wang","Asymmetric Michael Addition of α-Substituted Isocyanoacetates with Maleimides Catalyzed by Chiral Tertiary Amine Thiourea","Journal of Organic Chemistry","2012","77","","2947","2953","10.1021/jo2025288","","","0.71073","MoKα","","0.143","0.0952","","","0.2499","0.279","","","","","","1.125","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027067","9.1977","0.0012","10.4095","0.0013","21.851","0.003","90","","90","","90","","2092.1","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H26 N2 O2 S -","- C25 H26 N2 O2 S -","- C100 H104 N8 O8 S4 -","4","1","","Jian-Fei Bai; Liang-Liang Wang; Lin Peng; Yun-Long Guo; Li-Na Jia; Fang Tian; Guang-Yun He; Xiao-Ying Xu; Li-Xin Wang","Asymmetric Michael Addition of α-Substituted Isocyanoacetates with Maleimides Catalyzed by Chiral Tertiary Amine Thiourea","Journal of Organic Chemistry","2012","77","","2947","2953","10.1021/jo2025288","","","0.71073","MoKα","","0.0449","0.0349","","","0.0763","0.0803","","","","","","1.044","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027068","19.856","0.004","7.346","0.0013","20.945","0.004","90","","116.514","0.002","90","","2733.8","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H15 N O2 -","- C17 H15 N O2 -","- C136 H120 N8 O16 -","8","1","","Hai Xie; Ding Yuan; Ming-Wu Ding","Unexpected Synthesis of 2,4,5-Trisubstituted Oxazoles via a Tandem Aza-Wittig/Michael/Isomerization Reaction of Vinyliminophosphorane","Journal of Organic Chemistry","2012","77","","2954","2958","10.1021/jo202588j","","","0.71073","MoKα","","0.0548","0.0479","","","0.1358","0.1429","","","","","","1.05","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027069","9.3573","0.0002","9.3573","0.0002","40.4414","0.0015","90","","90","","120","","3066.61","0.15","293","2","293","2","","","","","","","","3","P 32","P 32","145","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C132 H144 O36 -","6","2","","Xiaoqin Wang; Weijun Yao; Zhihui Yao; Cheng Ma","Bifuctional Amino-Squaramides Catalyzed Asymmetric Spiroannulation Cascades with Aliphatic β,γ-Unsaturated α-Keto Esters: Controlling an Aldehyde Enolate","Journal of Organic Chemistry","2012","77","","2959","2965","10.1021/jo202633c","","","1.54184","CuKα","","0.0937","0.0896","","","0.2641","0.269","","","","","","1.031","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027070","10.969","0.004","19.154","0.003","15.685","0.002","90","","104.199","0.014","90","","3194.7","1.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C41 H44 B N2 O -","- C41 H44 B N2 O -","- C164 H176 B4 N8 O4 -","4","1","","James E. Taylor; Matthew D. Jones; Jonathan M. J. Williams; Steven D. Bull","N-Acyl DBN Tetraphenylborate Salts as N-Acylating Agents","Journal of Organic Chemistry","2012","77","","2808","2818","10.1021/jo202647f","","","0.71073","MoKα","","0.1218","0.0796","","","0.2174","0.2585","","","","","","1.04","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027071","17.718","0.0001","19.401","0.0001","20.336","0.0002","90","","90","","90","","6990.44","0.09","150","2","150","2","","","","","","","","6","P c a n","-P 2n 2c","60","","","","- C41 H43 B Cl2 N2 O -","- C41 H43 B Cl2 N2 O -","- C328 H344 B8 Cl16 N16 O8 -","8","1","","James E. Taylor; Matthew D. Jones; Jonathan M. J. Williams; Steven D. Bull","N-Acyl DBN Tetraphenylborate Salts as N-Acylating Agents","Journal of Organic Chemistry","2012","77","","2808","2818","10.1021/jo202647f","","","0.71073","MoKα","","0.0605","0.0409","","","0.0936","0.1049","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027072","8.18","0.001","9.9875","0.0013","13.2073","0.0015","97.344","0.006","98.122","0.008","111.627","0.008","973.8","0.2","95","0.5","95","0.5","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 Cl N -","- C24 H30 Cl N -","- C48 H60 Cl2 N2 -","2","1","","Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle","Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction","Journal of Organic Chemistry","2012","77","","2784","2790","10.1021/jo202681r","","","0.71073","MoKα","","0.063","0.044","","","0.108","0.118","","","","","","1.041","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027073","18.545","0.003","10.021","0.002","11.5921","0.0015","90","","92.327","0.01","90","","2152.5","0.6","95","0.5","95","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H35 N O -","- C26 H35 N O -","- C104 H140 N4 O4 -","4","1","","Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle","Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction","Journal of Organic Chemistry","2012","77","","2784","2790","10.1021/jo202681r","","","0.71073","MoKα","","0.0833","0.0499","","","0.1113","0.1265","","","","","","1.022","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027074","9.7385","0.0004","11.6917","0.0006","41.5907","0.0019","90","","90","","90","","4735.5","0.4","90","0.5","90","0.5","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H39 N -","- C30 H39 N -","- C240 H312 N8 -","8","1","","Jean Fotie; Hilaire V. Kemami Wangun; Frank R. Fronczek; Nancy Massawe; Bijay T. Bhattarai; Jessica L. Rhodus; Thomas A. Singleton; D. Scott Bohle","Unexpected 5,6,7,8,9,10-Hexahydro-6,6-pentamethylenephenanthridines and 2,3,4,5-Tetrahydro-4,4-tetramethylene-1H-cyclopenta[c]quinolines from Skraup-Doebner-Von Miller Quinoline Synthesis and Their Implications for the Mechanism of That Reaction","Journal of Organic Chemistry","2012","77","","2784","2790","10.1021/jo202681r","","","1.54178","CuKα","","0.063","0.053","","","0.132","0.138","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027075","10.7931","0.0013","11.7407","0.0012","12.4871","0.0012","116.859","0.005","100.003","0.006","93.089","0.005","1374.3","0.3","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C25 H21 Cl3 N4 O4 S2 -","- C25 H21 Cl3 N4 O4 S2 -","- C50 H42 Cl6 N8 O8 S4 -","2","1","","Wim Van Rossom; Jef Caers; Koen Robeyns; Luc Van Meervelt; Wouter Maes; Wim Dehaen","(Thio)ureido Anion Receptors Based on a 1,3-Alternate Oxacalix[2]arene[2]pyrimidine Scaffold","Journal of Organic Chemistry","2012","77","","2791","2797","10.1021/jo300004p","","","1.54178","CuKα","","0.1067","0.0663","","","0.1585","0.181","","","","","","1.013","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027076","14.5105","0.0005","13.5453","0.0006","15.6906","0.0005","90","","111.723","0.002","90","","2864.96","0.19","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H28 N4 S6 -","- C27 H28 N4 S6 -","- C108 H112 N16 S24 -","4","0.5","","Wim Van Rossom; Jef Caers; Koen Robeyns; Luc Van Meervelt; Wouter Maes; Wim Dehaen","(Thio)ureido Anion Receptors Based on a 1,3-Alternate Oxacalix[2]arene[2]pyrimidine Scaffold","Journal of Organic Chemistry","2012","77","","2791","2797","10.1021/jo300004p","","","1.54178","CuKα","","0.048","0.0384","","","0.0999","0.1067","","","","","","1.05","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027077","8.7283","0.0001","12.0028","0.0002","23.2475","0.0004","90","","90","","90","","2435.5","0.06","100","2","100","2","","","","","","","synthesis as described","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H23 Br Cl2 N2 O3 -","- C27 H23 Br Cl2 N2 O3 -","- C108 H92 Br4 Cl8 N8 O12 -","4","1","","Eider Aranzamendi; Nuria Sotomayor; Esther Lete","Brønsted Acid Catalyzed Enantioselective α-Amidoalkylation in the Synthesis of Isoindoloisoquinolines","Journal of Organic Chemistry","2012","77","","2986","2991","10.1021/jo3000223","","","1.54184","CuKα","","0.0406","0.037","","","0.0933","0.0963","","","","","","1.026","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027078","13.0005","0.0013","7.0068","0.0007","17.8353","0.0018","90","","106.159","0.002","90","","1560.5","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 Cl I N O2 -","- C16 H11 Cl I N O2 -","- C64 H44 Cl4 I4 N4 O8 -","4","1","","Bo-Xiao Tang; Yue-Hua Zhang; Ren-Jie Song; Dong-Jun Tang; Guo-Bo Deng; Zhi-Qiang Wang; Ye-Xiang Xie; Yuan-Zhi Xia; Jin-Heng Li","Intramolecularipso-Halocyclization of 4-(p-Unsubstituted-aryl)-1-alkynes Leading to Spiro[4,5]trienones: Scope, Application, and Mechanistic Investigations","Journal of Organic Chemistry","2012","77","","2837","2849","10.1021/jo300037n","","","0.71073","MoKα","","0.0427","0.0357","","","0.0785","0.0825","","","","","","1.087","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027079","6.7473","0.0007","9.6146","0.001","27.114","0.003","90","","95.106","0.002","90","","1752","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H14 Br N O2 -","- C22 H14 Br N O2 -","- C88 H56 Br4 N4 O8 -","4","1","","Bo-Xiao Tang; Yue-Hua Zhang; Ren-Jie Song; Dong-Jun Tang; Guo-Bo Deng; Zhi-Qiang Wang; Ye-Xiang Xie; Yuan-Zhi Xia; Jin-Heng Li","Intramolecularipso-Halocyclization of 4-(p-Unsubstituted-aryl)-1-alkynes Leading to Spiro[4,5]trienones: Scope, Application, and Mechanistic Investigations","Journal of Organic Chemistry","2012","77","","2837","2849","10.1021/jo300037n","","","0.71073","MoKα","","0.0556","0.0394","","","0.0851","0.0882","","","","","","0.91","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027080","8.2933","0.0007","10.0821","0.0009","17.0581","0.0013","90","","99.641","0.002","90","","1406.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H12 F3 N O -","- C18 H12 F3 N O -","- C72 H48 F12 N4 O4 -","4","1","","Lei-Lei Sun; Zhi-Yong Liao; Ri-Yuan Tang; Chen-Liang Deng; Xing-Guo Zhang","Palladium and Copper Cocatalyzed Tandem N-H/C-H Bond Functionalization: Synthesis of CF3-Containing Indolo- and Pyrrolo[2,1-a]isoquinolines","Journal of Organic Chemistry","2012","77","","2850","2856","10.1021/jo3000404","","","0.71073","MoKα","","0.056","0.0396","","","0.1151","0.1322","","","","","","1.099","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027081","5.488","0.0004","15.46","0.001","28.8777","0.0017","90","","90","","90","","2450.1","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H24 F2 O3 S2 -","- C28 H24 F2 O3 S2 -","- C112 H96 F8 O12 S8 -","4","1","","José Luis García Ruano; José Antonio Fernández-Salas; M. Carmen Maestro","Stereocontrolled Fluorobenzylation of Vinyl Sulfones and α,β-Unsaturated Esters Mediated by a Remote Sulfinyl Group. Synthesis of Functionalized Enantiomerically Pure Benzylic Fluorides","Journal of Organic Chemistry","2012","77","","2893","2900","10.1021/jo300174k","","","0.71073","MoKα","","0.081","0.0491","","","0.1062","0.1497","","","","","","1.148","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027082","8.82088","0.00016","17.5456","0.0004","11.9169","0.0003","90","","93.8914","0.0007","90","","1840.1","0.07","123","","123","","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C20 H17 Br F N O2 S -","- C20 H17 Br F N O2 S -","- C80 H68 Br4 F4 N4 O8 S4 -","4","2","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0317","","","","0.067","","","","","","1.109","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027083","17.5575","0.0009","5.9446","0.0003","19.3228","0.001","90","","109.387","0.0012","90","","1902.41","0.17","123","","123","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0373","","","","0.0918","","","","","","1.083","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027084","8.5546","0.00018","10.315","0.0003","20.8151","0.0005","90","","90","","90","","1836.74","0.08","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0293","","","","0.0761","","","","","","1.097","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027085","5.61505","0.00011","13.7153","0.0003","23.8616","0.0005","90","","90","","90","","1837.63","0.07","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 Cl N O3 S -","- C21 H16 Cl N O3 S -","- C84 H64 Cl4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.03","","","","0.0739","","","","","","1.084","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027086","5.75921","0.0001","13.2454","0.0003","23.194","0.0005","90","","90","","90","","1769.31","0.06","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C84 H64 F4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0303","","","","0.0773","","","","","","1.095","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027087","5.48038","0.00011","14.4143","0.0004","24.5178","0.0006","90","","90","","90","","1936.8","0.08","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H16 F3 N O3 S -","- C22 H16 F3 N O3 S -","- C88 H64 F12 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0317","","","","0.079","","","","","","1.092","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027088","6.2974","0.0004","7.9135","0.0005","36.77","0.002","90","","90","","90","","1832.41","0.19","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C88 H76 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0469","","","","0.1079","","","","","","0.991","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027089","5.9669","0.0002","8.5395","0.0003","36.8188","0.0013","90","","90","","90","","1876.08","0.11","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C88 H76 N4 O16 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0651","","","","0.1562","","","","","","1.143","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027090","8.57844","0.00019","5.82241","0.00012","18.8022","0.0005","90","","100.163","0.0007","90","","924.38","0.04","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O4 S -","- C22 H19 N O4 S -","- C44 H38 N2 O8 S2 -","2","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0308","","","","0.0746","","","","","","1.074","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027091","6.36452","0.00014","8.11463","0.00018","34.3132","0.0008","90","","90","","90","","1772.13","0.07","123","","123","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C84 H64 F4 N4 O12 S4 -","4","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0315","","","","0.0795","","","","","","1.062","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027092","8.0346","0.0009","6.4023","0.0007","17.6979","0.0018","90","","100.211","0.003","90","","895.96","0.17","123","","123","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H16 F N O3 S -","- C21 H16 F N O3 S -","- C42 H32 F2 N2 O6 S2 -","2","1","","Masahiko Fujioka; Tsumoru Morimoto; Takayuki Tsumagari; Hiroki Tanimoto; Yasuhiro Nishiyama; Kiyomi Kakiuchi","Rh(I)-Catalyzed Asymmetric Synthesis of 3-Substituted Isoindolinones through CO Gas-Free Aminocarbonylation","Journal of Organic Chemistry","2012","77","","2911","2923","10.1021/jo300201g","","","0.71075","MoKα","","","0.0453","","","","0.096","","","","","","1.048","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027093","10.3632","0.0013","8.1773","0.001","21.547","0.003","90","","91.751","0.002","90","","1825.1","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","08001","","","- C32 H68 N2 O11 -","- C32 H68 N2 O11 -","- C64 H136 N4 O22 -","2","1","","Jae Chul Lee; Subhashree Francis; Dinah Dutta; Vijayalaxmi Gupta; Yan Yang; Jin-Yi Zhu; Joseph S. Tash; Ernst Schönbrunn; Gunda I. Georg","Synthesis and Evaluation of Eight- and Four-Membered Iminosugar Analogues as Inhibitors of Testicular Ceramide-Specific Glucosyltransferase, Testicular β-Glucosidase 2, and Other Glycosidases","Journal of Organic Chemistry","2012","77","","3082","3098","10.1021/jo202054g","","","0.71073","MoKα","","0.1022","0.0527","","","0.131","0.17","","","","","","1.016","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027094","14.495","0.003","15.945","0.004","17.142","0.004","87.527","0.006","68.186","0.004","81.798","0.006","3640.4","1.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H35 N9 O9 S5 -","- C27 H35 N9 O9 S5 -","- C108 H140 N36 O36 S20 -","4","2","","Rebecca M. Duke; Thomas McCabe; Wolfgang Schmitt; Thorfinnur Gunnlaugsson","Recognition and Sensing of Biologically Relevant Anions in Alcohol and Mixed Alcohol-Aqueous Solutions Using Charge Neutral Cleft-Like Glycol-Derived Pyridyl-Amidothiourea Receptors","Journal of Organic Chemistry","2012","77","","3115","3126","10.1021/jo202332h","","","0.7107","MoKα","","0.067","0.0623","","","0.1495","0.1534","","","","","","1.063","","","","has coordinates,has disorder","178449","2020-10-21","18:00:00",""
"4027095","7.3934","0.0002","15.6929","0.0004","10.0693","0.0003","90","","106.497","0.004","90","","1120.19","0.06","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H20 O4 -","- C12 H20 O4 -","- C48 H80 O16 -","4","1","","Rafael P. Bula; Iris M. Oppel; Holger F. Bettinger","Thermal Generation of Pentacenes from Soluble 6,13-Dihydro-6,13-ethenopentacene Precursors by a Diels-Alder-retro-Diels-Alder Sequence with 3,6-Disubstituted Tetrazines","Journal of Organic Chemistry","2012","77","","3538","3542","10.1021/jo202450u","","","0.71073","MoKα","","0.0469","0.0361","","","0.0925","0.0951","","","","","","1.05","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027096","14.2138","0.0001","10.0644","0.0001","14.4831","0.0001","90","","99.6","0.001","90","","2042.84","0.03","113","2","113","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O8 -","- C20 H28 O8 -","- C80 H112 O32 -","4","1","","Rafael P. Bula; Iris M. Oppel; Holger F. Bettinger","Thermal Generation of Pentacenes from Soluble 6,13-Dihydro-6,13-ethenopentacene Precursors by a Diels-Alder-retro-Diels-Alder Sequence with 3,6-Disubstituted Tetrazines","Journal of Organic Chemistry","2012","77","","3538","3542","10.1021/jo202450u","","","1.54178","CuKα","","0.0412","0.0347","","","0.0919","0.0941","","","","","","1.086","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027097","9.2292","0.0013","13.5016","0.0019","18.493","0.003","72.535","0.002","81.06","0.003","76.979","0.003","2132.1","0.5","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H20 Br N O2 Se -","- C24 H20 Br N O2 Se -","- C96 H80 Br4 N4 O8 Se4 -","4","2","","Benito Alcaide; Pedro Almendros; Amparo Luna; Gonzalo Gómez-Campillos; M. Rosario Torres","Ring Enlargement versus Selenoetherification on the Reaction of Allenyl Oxindoles with Selenenylating Reagents","Journal of Organic Chemistry","2012","77","","3549","3556","10.1021/jo202495z","","","0.71073","MoKα","","0.2553","0.0764","","","0.141","0.1752","","","","","","0.999","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027098","12.36","0.002","12.862","0.003","22.211","0.004","90","","104.886","0.004","90","","3412.5","1.1","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O2 Se -","- C19 H17 N O2 Se -","- C152 H136 N8 O16 Se8 -","8","2","","Benito Alcaide; Pedro Almendros; Amparo Luna; Gonzalo Gómez-Campillos; M. Rosario Torres","Ring Enlargement versus Selenoetherification on the Reaction of Allenyl Oxindoles with Selenenylating Reagents","Journal of Organic Chemistry","2012","77","","3549","3556","10.1021/jo202495z","","","0.71073","MoKα","","0.198","0.0609","","","0.1495","0.2423","","","","","","1.013","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027099","20.639","0.011","20.639","0.011","13.164","0.007","90","","90","","90","","5607","5","298","2","298","2","","","","","","","","6","I 41","I 4bw","80","","","","- C26 H31 Br N2 O9 S -","- C26 H31 Br N2 O9 S -","- C208 H248 Br8 N16 O72 S8 -","8","1","","Qi-Xiang Guo; Yu-Wan Liu; Xing-Cheng Li; Ling-Zhi Zhong; Yun-Gui Peng","Enantioselective and Solvent-Controlled Diastereoselective Mannich Reaction of Isatin Imines with Hydroxyacetone: Synthesis of 3-Substituted 3-Aminooxindoles","Journal of Organic Chemistry","2012","77","","3589","3594","10.1021/jo202585w","","","0.71073","MoKα","","0.0955","0.0552","","","0.1588","0.1922","","","","","","1.062","","","","has coordinates","178449","2020-10-21","18:00:00",""
"4027100","5.9603","0.0004","7.9818","0.0005","40.339","0.003","90","","90","","90","","1919.1","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H15 N S3 -","- C24 H15 N S3 -","- C96 H60 N4 S12 -","4","1","","Shin-ichiro Kato; Satoru Shimizu; Hiroaki Taguchi; Atsushi Kobayashi; Seiji Tobita; Yosuke Nakamura","Synthesis and Electronic, Photophysical, and Electrochemical Properties of a Series of Thienylcarbazoles","Journal of Organic Chemistry","2012","77","","3222","3232","10.1021/jo202625p","","","0.7107","MoKα","","0.0376","0.0368","","","0.1016","0.1019","","","","","","1.181","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027101","9.7746","0.0005","26.4346","0.0016","28.6784","0.0019","90","","90","","90","","7410.1","0.8","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H21 N S4 -","- C30 H21 N S4 -","- C360 H252 N12 S48 -","12","3","","Shin-ichiro Kato; Satoru Shimizu; Hiroaki Taguchi; Atsushi Kobayashi; Seiji Tobita; Yosuke Nakamura","Synthesis and Electronic, Photophysical, and Electrochemical Properties of a Series of Thienylcarbazoles","Journal of Organic Chemistry","2012","77","","3222","3232","10.1021/jo202625p","","","0.7107","MoKα","","0.064","0.0589","","","0.1083","0.1101","","","","","","1.181","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027102","11.2117","0.0002","11.2117","0.0002","54.8735","0.001","90","","90","","90","","6897.7","0.2","93","","93","","","","","","","","","5","P 41","P 4w","76","","","","- C86 H64 Cl4 O6 P2 -","- C86 H64 Cl4 O6 P2 -","- C344 H256 Cl16 O24 P8 -","4","1","","Bunpei Hatano; Kazuyuki Hashimoto; Hiroshi Katagiri; Tatsuro Kijima; Satoshi Murakami; Shigeru Matsuba; Miho Kusakari","Enantioresolution of 2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl Oxide Using Inclusion Complex with Chiral 2,2'-Dihydroxy-1,1'-binaphtyl","Journal of Organic Chemistry","2012","77","","3595","3597","10.1021/jo202630p","","","1.54187","CuKα","","0.04","0.0399","","","0.1032","0.1033","","","","","","1.06","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027103","11.5379","0.0013","10.6801","0.0012","13.8158","0.0015","90","","100.801","0.005","90","","1672.3","0.3","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C35 H54 O6 -","- C35 H54 O6 -","- C70 H108 O12 -","2","1","","Gregory K. Friestad; An Ji; Jonas Baltrusaitis; Chandra Sekhar Korapala; Jun Qin","Scope of Stereoselective Mn-Mediated Radical Addition to Chiral Hydrazones and Application in a Formal Synthesis of Quinine","Journal of Organic Chemistry","2012","77","","3159","3180","10.1021/jo2026349","","","0.71073","MoKα","","0.0464","0.0432","","","0.1107","0.1137","","","","","","1.078","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027104","8.5749","0.0006","11.5138","0.0008","43.232","0.003","90","","90","","90","","4268.3","0.5","153","2","153","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C46 H63 N O5 Si -","- C46 H63 N O5 Si -","- C184 H252 N4 O20 Si4 -","4","1","","Christian C. Ventocilla; K. A. Woerpel","Synthesis of Silyloxy Dienes by Silylene Transfer to Divinyl Ketones: Application to the Asymmetric Synthesis of Substituted Cyclohexanes","Journal of Organic Chemistry","2012","77","","3277","3283","10.1021/jo202650k","","","0.71073","MoKα","","0.0581","0.0531","","","0.1439","0.1477","","","","","","1.088","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027105","11.2829","0.001","12.0507","0.0011","12.1302","0.0011","115.864","0.0014","100.482","0.0015","103.034","0.0015","1370","0.2","163","2","163","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H42 O5 Si -","- C28 H42 O5 Si -","- C56 H84 O10 Si2 -","2","1","","Christian C. Ventocilla; K. A. Woerpel","Synthesis of Silyloxy Dienes by Silylene Transfer to Divinyl Ketones: Application to the Asymmetric Synthesis of Substituted Cyclohexanes","Journal of Organic Chemistry","2012","77","","3277","3283","10.1021/jo202650k","","","0.71073","MoKα","","0.0507","0.0383","","","0.0938","0.101","","","","","","1.035","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027106","9.7554","0.0003","10.4301","0.0003","16.6303","0.0007","77.186","0.003","81.132","0.003","70.517","0.003","1549.58","0.1","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H46 O7 Si -","- C31 H46 O7 Si -","- C62 H92 O14 Si2 -","2","1","","Daniel C. Schmitt; Ericka J. Malow; Jeffrey S. Johnson","Three-Component Glycolate Michael Reactions of Enolates, Silyl Glyoxylates, and α,β-Enones","Journal of Organic Chemistry","2012","77","","3246","3251","10.1021/jo202679u","","","1.54178","CuKα","","0.0829","0.0614","","","0.1437","0.1587","","","","","","1.067","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027107","14.0124","0.0009","6.3282","0.0003","15.2728","0.001","90","","106.082","0.008","90","","1301.29","0.14","170","2","170","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","1-Dimethylsulfamoyl-5-phenylazoimidazole","","","- C11 H13 N5 O2 S -","- C11 H13 N5 O2 S -","- C44 H52 N20 O8 S4 -","4","1","","Thore Wendler; Christian Schütt; Christian Näther; Rainer Herges","Photoswitchable Azoheterocycles via Coupling of Lithiated Imidazoles with Benzenediazonium Salts","Journal of Organic Chemistry","2012","77","","3284","3287","10.1021/jo202688x","","","0.71073","MoKα","","0.0426","0.0373","","","0.1023","0.1055","","","","","","1.094","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027108","10.989","0.004","15.032","0.005","15.109","0.005","119.832","0.004","96.649","0.006","90","0.006","2145.7","1.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H29 Cl6 F3 N4 Ni -","- C47 H29 Cl6 F3 N4 Ni -","- C94 H58 Cl12 F6 N8 Ni2 -","2","1","","Fei Hao; Hua-Wei Jiang; Guoqiang Zong; Zhiguo Zhou; Ruo-Bing Du; Qing-Yun Chen; Ji-Chang Xiao","Electrophilic Fluoroalkylation of Ni(II) N-Confused Porphyrins with Fluoroalkylarylsulfonium Salts","Journal of Organic Chemistry","2012","77","","3604","3608","10.1021/jo3000018","","","0.71073","MoKα","","0.0965","0.0725","","","0.1864","0.2088","","","","","","1.037","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027109","16.4794","0.0012","45.447","0.003","16.3605","0.0012","90","","113.891","0.002","90","","11203.2","1.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C52 H80 Br2 O2 P4 Pt2 -","- C52 H80 Br2 O2 P4 Pt2 -","- C416 H640 Br16 O16 P32 Pt16 -","8","2","","Qing Han; Li-Lei Wang; Quan-Jie Li; Guang-Zhen Zhao; Jiuming He; Bingjie Hu; Hongwei Tan; Zeper Abliz; Yihua Yu; Hai-Bo Yang","Synthesis of Triangular Metallodendrimers via Coordination-Driven Self-Assembly","Journal of Organic Chemistry","2012","77","","3426","3432","10.1021/jo300016a","","","0.71073","MoKα","","0.1345","0.115","","","0.2402","0.2482","","","","","","1.267","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027110","6.503","0.0013","12.1809","0.0011","13.9183","0.0019","66.72","0.03","82.58","0.04","76.52","0.04","984","0.4","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O6 -","- C22 H23 N O6 -","- C44 H46 N2 O12 -","2","1","","Le Chang; Hao Jiang; Junkai Fu; Bin Liu; Chuang-chuang Li; Zhen Yang","Synthesizing the Tetracyclic Core of Nanolobatolide","Journal of Organic Chemistry","2012","77","","3609","3614","10.1021/jo300039q","","","1.54187","CuKα","","","0.0973","","","","0.3585","","","","","","1.418","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027111","16.1486","0.0007","6.845","0.0003","18.5516","0.0008","90","","94.31","0.001","90","","2044.84","0.15","","","100","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C41 H69 Cl N2 O8 -","- C41 H67 Cl N2 O8 -","- C82 H134 Cl2 N4 O16 -","2","1","","Yong-Li Zhong; Donald R. Gauthier; Yao-Jun Shi; Mark McLaughlin; John Y. L. Chung; Philippe Dagneau; Benjamin Marcune; Shane W. Krska; Richard G. Ball; Robert A. Reamer; Nobuyoshi Yasuda","Synthesis of Antifungal Glucan Synthase Inhibitors from Enfumafungin","Journal of Organic Chemistry","2012","77","","3297","3310","10.1021/jo300046v","","","","MoKα","","","0.0461","","","","0.1195","","","","","","1.028","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027112","31.219","0.004","6.121","0.0007","18.877","0.002","90","","106.402","0.001","90","","3460.4","0.7","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Naphtho[1,2-c]isoxazole","","","- C22 H19 N O3 -","- C22 H19 N O3 -","- C176 H152 N8 O24 -","8","1","","Zhigang She; Dongyue Niu; Lei Chen; Maria A. Gunawan; Xhesika Shanja; William H. Hersh; Yu Chen","Synthesis of Trisubstituted Isoxazoles by Palladium(II)-Catalyzed Cascade Cyclization-Alkenylation of 2-Alkyn-1-one O-Methyl Oximes","Journal of Organic Chemistry","2012","77","","3627","3633","10.1021/jo300090k","","","0.71073","MoKα","","0.0487","0.0384","","","0.0948","0.1011","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027113","9.959","0.003","10.162","0.003","20.434","0.005","90","","90","","90","","2068","1","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br N2 O2 S -","- C20 H23 Br N2 O2 S -","- C80 H92 Br4 N8 O8 S4 -","4","1","","Wenjin Yan; Dong Wang; Jingchao Feng; Peng Li; Rui Wang","Zinc-Mediated Diastereoselective Synthesis of 3-Amino Oxindoles by Addition of Methyl and Terminal Alkynes to N-tert-Butanesulfinyl Ketimines","Journal of Organic Chemistry","2012","77","","3311","3317","10.1021/jo300110a","","","0.71073","MoKα","","0.1614","0.0749","","","0.1967","0.2529","","","","","","1.012","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027114","10.0888","0.0017","16.229","0.003","19.287","0.004","90","","90","","90","","3157.9","1","123","","123","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H33 Fe N3 P2 -","- C38 H33 Fe N3 P2 -","- C152 H132 Fe4 N12 P8 -","4","1","","Takashi Konno; Kenta Shimizu; Kenichi Ogata; Shin-ichi Fukuzawa","Rhodium-Catalyzed Enantioselective Hydrogenation of Unsaturated Phosphonates by Click Ferrophos Ligands","Journal of Organic Chemistry","2012","77","","3318","3324","10.1021/jo300129m","","","0.71075","MoKα","","","0.0406","","","","0.1038","","","","","","0.805","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027115","23.957","0.005","8.3528","0.0017","20.444","0.004","90","","90","","90","","4091","1.4","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 Cl Cu N4 O4 -","- C96 Cl12 Cu12 N48 O48 -","12","3","","Bo Yao; Zu-Li Wang; Hu Zhang; De-Xian Wang; Liang Zhao; Mei-Xiang Wang","Cu(ClO4)2-Mediated Arene C-H Bond Halogenations of Azacalixaromatics Using Alkali Metal Halides as Halogen Sources","Journal of Organic Chemistry","2012","77","","3336","3340","10.1021/jo300152u","","","0.71073","MoKα","","0.0546","0.051","","","0.1334","0.1374","","","","","","1.07","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027116","10.8582","0.0014","9.0165","0.0012","19.867","0.003","90","","99.776","0.0015","90","","1916.8","0.5","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H28 O3 Se -","- C20 H28 O3 Se -","- C80 H112 O12 Se4 -","4","2","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0528","0.0374","","","0.083","0.0888","","","","","","1.039","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027117","12.547","0.008","8.87","0.005","16.302","0.01","90","","100.639","0.006","90","","1783.1","1.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H55 N O6 Si -","- C34 H55 N O6 Si -","- C68 H110 N2 O12 Si2 -","2","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","1.54178","CuKα","","0.0944","0.0736","","","0.1908","0.2132","","","","","","1.047","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027118","9.8475","0.0006","11.6751","0.0007","19.0604","0.0011","90","","90","","90","","2191.4","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H33 N O3 -","- C24 H33 N O3 -","- C96 H132 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0469","0.0351","","","0.0797","0.0867","","","","","","1.034","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027119","8.3064","0.0005","11.8273","0.0007","26.9582","0.0017","90","","90","","90","","2648.4","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C30 H34 F3 N O3 -","- C30 H34 F3 N O3 -","- C120 H136 F12 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","0.71073","MoKα","","0.0491","0.039","","","0.0899","0.0961","","","","","","1.035","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027120","5.5725","0.0001","18.1754","0.0003","26.6342","0.0004","90","","90","","90","","2697.58","0.08","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H37 N O3 -","- C33 H37 N O3 -","- C132 H148 N4 O12 -","4","1","","Ping Cheng; Derrick L. J. Clive","Formation of Optically Pure Cyclic Amines by Intramolecular Conjugate Displacement","Journal of Organic Chemistry","2012","77","","3348","3364","10.1021/jo3001657","","","1.54178","CuKα","","0.0329","0.0314","","","0.0826","0.0837","","","","","","1.026","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027121","7.7171","0.0002","8.9158","0.0002","15.6711","0.0005","100.275","0.002","100.391","0.002","107.028","0.002","982.94","0.05","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O4 -","- C22 H23 N O4 -","- C44 H46 N2 O8 -","2","1","","Lihua Yao; Bhaskar Pitta; P. C. Ravikumar; Matthew Purzycki; Fraser F. Fleming","Transmissive Olefination Route to Putative ""Morinol I"" Lignans","Journal of Organic Chemistry","2012","77","","3651","3657","10.1021/jo3001723","","","0.71073","MoKα","","0.0697","0.0472","","","0.1416","0.1573","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027122","14.6671","0.0002","17.229","0.0002","20.9288","0.0003","90","","108.669","0.0006","90","","5010.41","0.12","103","2","103","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C35 H24 O5 -","- C35 H24 O5 -","- C280 H192 O40 -","8","2","","Eriko Azuma; Naoko Nakamura; Kouji Kuramochi; Takahiro Sasamori; Norihiro Tokitoh; Ikuko Sagami; Kazunori Tsubaki","Exhaustive Syntheses of Naphthofluoresceins and Their Functions","Journal of Organic Chemistry","2012","77","","3492","3500","10.1021/jo300177b","","","0.71075","MoKα","","0.0568","0.0409","","","0.1046","0.1143","","","","","","1.018","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027123","11.8047","0.0017","13.2341","0.0019","33.916","0.005","90","","90","","90","","5298.5","1.3","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","compound 4","1,3-bis(4-methoxyphenyl)-5-o-tolyl-1,3,5-triazinane-2,4,6-trione","","- C56 H50 N6 O13 -","- C56 H50 N6 O13 -","- C224 H200 N24 O52 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Atropisomers of Hindered Triarylisocyanurates: Structure, Conformation, Stereodynamics, and Absolute Configuration","Journal of Organic Chemistry","2012","77","","3373","3380","10.1021/jo300192n","","","0.71073","MoKα","","0.117","0.076","","","0.2014","0.2434","","","","","","1.04","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027124","12.8615","0.0001","19.9997","0.0004","20.5839","0.0002","83.399","0.003","76.527","0.0019","89.713","0.003","5113.57","0.13","296.1","","296.1","","","","","","","","","5","P -1","-P 1","2","","","","- C101 H138 B4 N8 O8 -","- C101 H137 B4 N8 O8 -","- C202 H274 B8 N16 O16 -","2","1","","Deborah A. Smithen; Alexander E. G. Baker; Matthew Offman; Sarah M. Crawford; T. Stanley Cameron; Alison Thompson","Use of F-BODIPYs as a Protection Strategy for Dipyrrins: Optimization of BF2Removal","Journal of Organic Chemistry","2012","77","","3439","3453","10.1021/jo3002003","","","0.7107","MoKα","","","0.0667","","","","0.0715","","","","","","1.065","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027125","10.4293","0.0011","11.126","0.0014","14.4551","0.0017","75.901","0.001","87.844","0.002","70.989","0.001","1536.5","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C35 H29 Cl N2 Ni P -","- C35 H29 Cl N2 Ni P -","- C70 H58 Cl2 N4 Ni2 P2 -","2","1","","Xue-Qi Zhang; Zhong-Xia Wang","Cross-Coupling of Aryltrimethylammonium Iodides with Arylzinc Reagents Catalyzed by Amido Pincer Nickel Complexes","Journal of Organic Chemistry","2012","77","","3658","3663","10.1021/jo300209d","","","0.71073","MoKα","","0.0842","0.0498","","","0.1163","0.1266","","","","","","1.08","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027126","9.852","0.0009","13.7371","0.0014","14.6279","0.0016","111.06","0.002","93.101","0.001","106.545","0.001","1743.7","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C79 H72 Cl2 N8 Ni2 P2 -","- C79 H72 Cl2 N8 Ni2 P2 -","- C79 H72 Cl2 N8 Ni2 P2 -","1","0.5","","Xue-Qi Zhang; Zhong-Xia Wang","Cross-Coupling of Aryltrimethylammonium Iodides with Arylzinc Reagents Catalyzed by Amido Pincer Nickel Complexes","Journal of Organic Chemistry","2012","77","","3658","3663","10.1021/jo300209d","","","0.71073","MoKα","","0.2567","0.0863","","","0.1811","0.211","","","","","","1.044","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027127","9.417","0.0018","12.514","0.003","16.573","0.004","88.219","0.01","75.86","0.01","80.763","0.01","1869.2","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N4 O2 -","- C23 H20 N4 O2 -","- C92 H80 N16 O8 -","4","2","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0873","0.0633","","","0.1361","0.1458","","","","","","1.125","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027128","6.4584","0.0013","20.649","0.004","15.101","0.003","90","","101.92","0.03","90","","1970.4","0.7","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C96 H88 N16 O8 -","4","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.1003","0.0785","","","0.1348","0.1435","","","","","","1.225","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027129","7.486","0.002","11.283","0.003","12.414","0.004","80.341","0.0018","76.409","0.0014","73.277","0.0015","970.4","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C48 H44 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0955","0.0761","","","0.1498","0.1616","","","","","","1.138","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027130","12.609","0.004","15.739","0.003","19.556","0.004","90","","93.38","0.003","90","","3874.2","1.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H22 N4 O2 -","- C24 H22 N4 O2 -","- C192 H176 N32 O16 -","8","2","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0952","0.0814","","","0.1698","0.1784","","","","","","1.188","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027131","9.372","0.003","11.126","0.004","11.34","0.004","105.318","0.004","105.023","0.004","104.512","0.002","1034.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C50 H48 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0772","0.0657","","","0.1333","0.1396","","","","","","1.16","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027132","10.157","0.003","10.67","0.003","11.257","0.003","103.417","0.008","93.162","0.006","90.024","0.005","1184.8","0.6","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H26 N4 O2 -","- C30 H26 N4 O2 -","- C60 H52 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0947","0.0756","","","0.1392","0.1475","","","","","","1.211","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027133","9.573","0.004","9.815","0.004","11.061","0.004","92.907","0.007","95.692","0.007","94.927","0.007","1028.5","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 N4 O2 -","- C25 H24 N4 O2 -","- C50 H48 N8 O4 -","2","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0917","0.0687","","","0.1532","0.1684","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027134","21.102","0.005","12.56","0.003","22.259","0.006","90","","90","","90","","5900","3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C66 H68 N14 O5 -","- C66 H68 N14 O5 -","- C264 H272 N56 O20 -","4","1","","Jianhong Chen; Weimin Liu; Jingjin Ma; Haitao Xu; Jiasheng Wu; Xianglin Tang; Zhiyuan Fan; Pengfei Wang","Synthesis and Properties of Fluorescence Dyes: Tetracyclic Pyrazolo[3,4-b]Pyridine-Based Coumarin Chromophores with Intramolecular Charge Transfer Character","Journal of Organic Chemistry","2012","77","","3475","3482","10.1021/jo3002722","","","0.71073","MoKα","","0.0903","0.0838","","","0.1543","0.1572","","","","","","1.213","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027135","8.0278","0.0006","6.1571","0.0005","11.258","0.0007","90","","97.688","0.006","90","","551.46","0.07","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C5 H3 Br O2 -","- C5 H3 Br O2 -","- C20 H12 Br4 O8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0265","0.0216","","","0.0482","0.0496","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027136","9.6302","0.0006","8.7399","0.0006","8.2353","0.0005","90","","105.658","0.005","90","","667.42","0.08","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C5 H2 Br2 O2 -","- C5 H2 Br2 O2 -","- C20 H8 Br8 O8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0433","0.0349","","","0.0775","0.0809","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027137","10.664","0.003","13.107","0.003","3.9339","0.0009","90","","90","","90","","549.9","0.2","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C5 H3 Br O2 -","- C5 H3 Br O2 -","- C20 H12 Br4 O8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0958","0.08","","","0.188","0.1938","","","","","","1.365","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027138","11.5399","0.0007","13.0173","0.0008","29.3178","0.0019","90","","95.778","0.005","90","","4381.7","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H33 B O2 Si2 -","- C18 H33 B O2 Si2 -","- C144 H264 B8 O16 Si16 -","8","2","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.1259","0.0546","","","0.1031","0.1231","","","","","","0.822","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027139","29.312","0.003","7.4728","0.0014","28.123","0.003","90","","116.015","0.008","90","","5536","1.4","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C24 H42 Si4 -","- C24 H42 Si4 -","- C192 H336 Si32 -","8","2","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.1726","0.1204","","","0.2865","0.3277","","","","","","0.985","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027140","10.4103","0.0008","21.643","0.002","8.6754","0.0009","90","","90","","90","","1954.7","0.3","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H28 O Si2 -","- C19 H28 O Si2 -","- C76 H112 O4 Si8 -","4","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0764","0.0646","","","0.1424","0.1478","","","","","","1.035","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027141","6.5999","0.0007","9.3395","0.0011","16.733","0.0017","98.497","0.009","95.464","0.009","105.447","0.009","973.4","0.19","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H25 N O2 Si2 -","- C18 H25 N O2 Si2 -","- C36 H50 N2 O4 Si4 -","2","1","","Christian Reus; Nai-Wei Liu; Michael Bolte; Hans-Wolfram Lerner; Matthias Wagner","Synthesis of Bromo-, Boryl-, and Stannyl-Functionalized 1,2-Bis(trimethylsilyl)benzenes via Diels-Alder or C-H Activation Reactions","Journal of Organic Chemistry","2012","77","","3518","3523","10.1021/jo3002936","","","0.71073","MoKα","","0.0913","0.0529","","","0.1076","0.1192","","","","","","0.91","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027142","17.1101","0.0005","11.4517","0.0004","9.6085","0.0003","90","","97.391","0.002","90","","1867.04","0.1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H34 N2 O4 -","- C20 H34 N2 O4 -","- C80 H136 N8 O16 -","4","0.5","","Eric A. Mercier; Chris D. Smith; Masood Parvez; Thomas G. Back","Cyclic Seleninate Esters as Catalysts for the Oxidation of Sulfides to Sulfoxides, Epoxidation of Alkenes, and Conversion of Enamines to α-Hydroxyketones","Journal of Organic Chemistry","2012","77","","3508","3517","10.1021/jo300313v","","","1.54178","CuKα","","0.0363","0.0351","","","0.0863","0.0871","","","","","","1.094","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027143","9.784","0.0006","10.6861","0.0006","11.7857","0.0007","63.081","0.006","72.433","0.005","85.632","0.005","1044.82","0.13","173","","173","","","","","","","","","3","P -1","-P 1","2","","","","- C24 H26 O6 -","- C24 H26 O6 -","- C48 H52 O12 -","2","1","","Jens Cordes; Sylvain Laclef; Andrew J. P. White; Anthony G. M. Barrett","Palladium(0)-Catalyzed Allylic Alkylation of Diketoester-Dioxinones with Allyl Acetates under Neutral Conditions: Synthesis of Hexasubstituted Benzene Derivatives","Journal of Organic Chemistry","2012","77","","3524","3530","10.1021/jo300340c","","","0.71073","MoKα","","0.089","0.059","","","0.1313","0.147","","","","","","1.048","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027144","22.038","0.002","7.2524","0.0006","13.9045","0.0013","90","","90","","90","","2222.3","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","(2R,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","(2R,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","","- C23.5 H20 Cl N5 O3 -","- C23 H19 N5 O3 -","- C92 H76 N20 O12 -","4","1","","Nicolas Masurier; Roberta Aruta; Vincent Gaumet; Séverine Denoyelle; Emmanuel Moreau; Vincent Lisowski; Jean Martinez; Ludovic T. Maillard","Selective C-Acylation of 2-Aminoimidazo[1,2-a]pyridine: Application to the Synthesis of Imidazopyridine-Fused [1,3]Diazepinones","Journal of Organic Chemistry","2012","77","","3679","3685","10.1021/jo300364d","","","0.71073","MoKα","","0.1013","0.0842","","","0.2394","0.2567","","","","","","1.089","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027145","9.478","0.0009","18.043","0.0017","11.7865","0.0011","90","","97.428","0.003","90","","1998.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","(2S,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","(2S,4S)-4-benzyl-2-(4-nitrophenyl)-1,2,3,4-tetrahydro -5H-pyrido[1',2':1,2]imidazo[4,5-d][1,3]diazepin-5-one","","- C23 H19 N5 O3 -","- C23 H19 N5 O3 -","- C92 H76 N20 O12 -","4","2","","Nicolas Masurier; Roberta Aruta; Vincent Gaumet; Séverine Denoyelle; Emmanuel Moreau; Vincent Lisowski; Jean Martinez; Ludovic T. Maillard","Selective C-Acylation of 2-Aminoimidazo[1,2-a]pyridine: Application to the Synthesis of Imidazopyridine-Fused [1,3]Diazepinones","Journal of Organic Chemistry","2012","77","","3679","3685","10.1021/jo300364d","","","0.71073","MoKα","","0.0754","0.0514","","","0.138","0.1798","","","","","","1.132","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027146","8.0539","0.0004","12.8886","0.0006","17.1903","0.0008","90","","90","","90","","1784.41","0.15","173","2","173","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H20 N4 O -","- C19 H20 N4 O -","- C76 H80 N16 O4 -","4","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","0.71073","MoKα","","0.0332","0.0289","","","0.0655","0.0682","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027147","7.4432","0.0001","10.8946","0.0002","12.6718","0.0003","75.427","0.001","79.65","0.001","86.204","0.001","978.09","0.03","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H23 N5 O2 -","- C21 H23 N5 O2 -","- C42 H46 N10 O4 -","2","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","1.54178","CuKα","","0.0474","0.0406","","","0.1088","0.1141","","","","","","1.048","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027148","8.474","0.0004","20.0572","0.001","10.7864","0.0005","90","","94.061","0.002","90","","1828.7","0.15","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N4 O -","- C19 H26 N4 O -","- C76 H104 N16 O4 -","4","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","0.71073","MoKα","","0.0546","0.0472","","","0.1107","0.1165","","","","","","1.042","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027149","8.4538","0.001","20.032","0.002","10.7689","0.0012","90","","94.079","0.001","90","","1819.1","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 N4 O -","- C19 H26 N4 O -","- C76 H104 N16 O4 -","4","1","","Hanh Nho Nguyen; Victor J. Cee; Holly L. Deak; Bingfan Du; Kathleen Panter Faber; Hakan Gunaydin; Brian L. Hodous; Steven L. Hollis; Paul H. Krolikowski; Philip R. Olivieri; Vinod F. Patel; Karina Romero; Laurie B. Schenkel; Stephanie D. Geuns-Meyer","Synthesis of 4-Substituted Chlorophthalazines, Dihydrobenzoazepinediones, 2-Pyrazolylbenzoic Acid, and 2-Pyrazolylbenzohydrazide via 3-Substituted 3-Hydroxyisoindolin-1-ones","Journal of Organic Chemistry","2012","77","","3887","3906","10.1021/jo3000628","","x-ray","0.71073","MoKα","","0.1125","0.0595","","","0.1362","0.1653","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027150","18.1979","0.0013","11.8241","0.0009","20.1682","0.0014","90","","114.835","0.001","90","","3938.3","0.5","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N O2 -","- C25 H21 N O2 -","- C200 H168 N8 O16 -","8","2","","Feng Sha; Luling Wu; Xian Huang","Chemo- and Regioselective Assembly of Polysubstituted Pyridines and Isoquinolines from Isocyanides, Arynes, and Terminal Alkynes","Journal of Organic Chemistry","2012","77","","3754","3765","10.1021/jo300072x","","","0.71073","MoKα","","0.09","0.0529","","","0.1244","0.139","","","","","","0.929","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027151","11.7361","0.0008","6.3813","0.0005","17.5262","0.0014","90","","104.237","0.003","90","","1272.25","0.17","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 N2 O3 -","- C15 H14 N2 O3 -","- C60 H56 N8 O12 -","4","1","","Klaus Bjerglund; Anders T. Lindhardt; Troels Skrydstrup","Palladium-Catalyzed N-Acylation of Monosubstituted Ureas Using Near-Stoichiometric Carbon Monoxide","Journal of Organic Chemistry","2012","77","","3793","3799","10.1021/jo3000767","","x-ray","0.71073","MoKα","","0.0824","0.0472","","","0.111","0.1251","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027152","9.4223","0.0004","12.535","0.0007","14.9465","0.0008","90","","90","","90","","1765.31","0.16","293.15","","293.15","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 Cl O3 -","- C18 H21 Cl O3 -","- C72 H84 Cl4 O12 -","4","1","","Yangbin Liu; Xiaohua Liu; Min Wang; Peng He; Lili Lin; Xiaoming Feng","Enantioselective Synthesis of 3,4-Dihydropyran Derivatives via Organocatalytic Michael Reaction of α,β-Unsaturated Enones","Journal of Organic Chemistry","2012","77","","4136","4142","10.1021/jo3001047","","","0.7107","MoKα","","0.0708","0.0465","","","0.0871","0.1","","","","","","1.05","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027153","5.6262","0.0015","10.04","0.003","12.165","0.003","95.51","0.004","90.569","0.006","100.99","0.007","671.2","0.3","98","2","98","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C34 H32 O6 -","2","1","","Nicole M. Cain; Edward R. T. Tiekink; Dennis K. Taylor","Ozonolysis of Bicyclic 1,2-Dioxines: Initial Scope and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","3808","3819","10.1021/jo3001518","","","0.71073","MoKα","","0.0593","0.0528","","","0.1388","0.1454","","","","","","1.03","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027154","10.686","0.003","7.0118","0.0019","16.046","0.005","90","","107.784","0.003","90","","1144.8","0.6","98","2","98","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O5 -","- C11 H18 O5 -","- C44 H72 O20 -","4","1","","Nicole M. Cain; Edward R. T. Tiekink; Dennis K. Taylor","Ozonolysis of Bicyclic 1,2-Dioxines: Initial Scope and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","3808","3819","10.1021/jo3001518","","","0.71073","MoKα","","0.047","0.044","","","0.112","0.115","","","","","","1.06","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027155","10.15","0.006","13.718","0.008","26.178","0.015","90","","90","","90","","3645","4","223.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 O8 -","- C18 H24 O8 -","- C144 H192 O64 -","8","2","","Jaideep Saha; Chris Lorenc; Bikash Surana; Mark W. Peczuh","Discovery of a Phosphine-Mediated Cycloisomerization of Alkynyl Hemiketals: Access to Spiroketals and Dihydropyrazoles via Tandem Reactions","Journal of Organic Chemistry","2012","77","","3846","3858","10.1021/jo3001854","","","0.71075","MoKα","","","0.0765","","","","0.1871","","","","","","1.062","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027156","6.9074","0.0014","8.0365","0.0016","12.211","0.002","101.66","0.03","92.96","0.03","96.79","0.03","657.2","0.2","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C7 H5 N O S -","- C7 H5 N O S -","- C28 H20 N4 O4 S4 -","4","2","","Fei Wang; Chao Chen; Geng Deng; Chanjuan Xi","Concise Approach to Benzisothiazol-3(2H)-one via Copper-Catalyzed Tandem Reaction of o-Bromobenzamide and Potassium Thiocyanate in Water","Journal of Organic Chemistry","2012","77","","4148","4151","10.1021/jo300250x","","","0.71073","MoKα","","0.0511","0.0463","","","0.125","0.1333","","","","","","0.574","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027157","6.0223","0.0012","15.207","0.003","22.588","0.005","90","","93.22","0.03","90","","2065.4","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H17 Cl N2 O5 -","- C23 H17 Cl N2 O5 -","- C92 H68 Cl4 N8 O20 -","4","2","","Yan Wang; Li Liu; Tao Zhang; Neng-Jun Zhong; Dong Wang; Yong-Jun Chen","Diastereo- and Enantioselective [3 + 2] Cycloaddition Reaction of Morita-Baylis-Hillman Carbonates of Isatins with N-Phenylmaleimide Catalyzed by Me-DuPhos","Journal of Organic Chemistry","2012","77","","4143","4147","10.1021/jo3002535","","","0.71073","MoKα","","0.0727","0.0646","","","0.1257","0.1313","","","","","","1.122","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027158","12.9522","0.0005","5.9178","0.0002","14.1782","0.0005","90","","115.842","0.002","90","","978.06","0.06","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","","Silvia Padilla; Javier Adrio; Juan C. Carretero","Au-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Isocyanoacetates with Maleimides","Journal of Organic Chemistry","2012","77","","4161","4166","10.1021/jo3003425","","","0.71073","MoKα","","0.054","0.0398","","","0.0926","0.1151","","","","","","1.118","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027159","8.992","0.009","12.614","0.012","17.079","0.016","90","","90","","90","","1937","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N3 O4 -","- C21 H23 N3 O4 -","- C84 H92 N12 O16 -","4","1","","Silvia Padilla; Javier Adrio; Juan C. Carretero","Au-Catalyzed Asymmetric Formal [3 + 2] Cycloaddition of Isocyanoacetates with Maleimides","Journal of Organic Chemistry","2012","77","","4161","4166","10.1021/jo3003425","","","0.71073","MoKα","","0.1337","0.0822","","","0.195","0.2338","","","","","","1","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027160","12.252","0.004","19.841","0.009","15.137","0.004","90","","97.94","0.02","90","","3644","2","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","syn-3f_diastereomer","(3RS,4RS)-N-Boc-3-amino-2-methyldec-5-yn-4-ol","","- C16 H29 N O3 -","- C16 H29 N O3 -","- C128 H232 N8 O24 -","8","1","","Bartolo Gabriele; Lucia Veltri; Raffaella Mancuso; Giuseppe Salerno; Sabino Maggi; Brunella Maria Aresta","A Palladium Iodide-Catalyzed Carbonylative Approach to Functionalized Pyrrole Derivatives","Journal of Organic Chemistry","2012","77","","4005","4016","10.1021/jo300365n","","","0.71073","MoKα","","0.1932","0.0746","","","0.1487","0.1969","","","","","","1.014","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027161","8.9106","0.0018","9.2084","0.0018","15.012","0.003","72.43","0.03","79.1","0.03","75.78","0.03","1129.5","0.5","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O4 -","- C27 H22 N2 O4 -","- C54 H44 N4 O8 -","2","1","","Le Liu; Yanfeng Fan; Qiaoqiao He; Yun Zhang; Daisy Zhang-Negrerie; Jianhui Huang; Yunfei Du; Kang Zhao","Synthesis of Functionalized Fluorescent Indenes from Electron-Rich α-Aryl Ketonitriles","Journal of Organic Chemistry","2012","77","","3997","4004","10.1021/jo300367q","","","0.71073","MoKα","","0.0455","0.035","","","0.0934","0.0984","","","","","","1","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027162","7.2538","0.0003","11.4105","0.0006","17.027","0.0008","90","","90","","90","","1409.32","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 Cl F N -","- C14 H21 Cl F N -","- C56 H84 Cl4 F4 N4 -","4","1","","Julia A. Kalow; Dana E. Schmitt; Abigail G. Doyle","Synthesis of β-Fluoroamines by Lewis Base Catalyzed Hydrofluorination of Aziridines","Journal of Organic Chemistry","2012","77","","4177","4183","10.1021/jo300433a","","","1.54178","CuKα","","0.0199","0.0198","","","0.06","0.0601","","","","","","1.085","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027163","9.254","0.003","13.146","0.004","14.214","0.004","90","","90","","90","","1729.2","0.9","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0542","0.0427","","","0.1018","0.1082","","","","","","1.026","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027164","8.955","0.006","12.502","0.008","14.974","0.008","90","","90","","90","","1676.4","1.8","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.1185","0.0619","","","0.1206","0.1394","","","","","","1.02","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027165","8.0971","0.0019","13.771","0.003","16.156","0.004","90","","90","","90","","1801.5","0.7","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H22 Br N O2 S -","- C17 H22 Br N O2 S -","- C68 H88 Br4 N4 O8 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0605","0.037","","","0.0694","0.0758","","","","","","1.036","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027166","7.878","0.002","14.177","0.004","8.466","0.002","90","","104.818","0.004","90","","914.1","0.4","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C17 H22 Br N O2 S -","- C17 H22 Br N O2 S -","- C34 H44 Br2 N2 O4 S2 -","2","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0735","0.047","","","0.093","0.1017","","","","","","1.027","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027167","8.0082","0.0011","14.727","0.002","14.749","0.002","90","","90","","90","","1739.4","0.4","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O3 S -","- C17 H23 N O3 S -","- C68 H92 N4 O12 S4 -","4","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.077","0.0527","","","0.1179","0.1301","","","","","","1.032","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027168","10.9764","0.0017","5.7842","0.0009","13.26","0.002","90","","111.283","0.002","90","","784.5","0.2","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H21 N O4 -","- C17 H21 N O4 -","- C34 H42 N2 O8 -","2","1","","Douglass F. Taber; Peter W. DeMatteo","A Piperidine Chiron for the Veratrum Alkaloids","Journal of Organic Chemistry","2012","77","","4235","4241","10.1021/jo2026228","","","0.71073","MoKα","","0.0402","0.0394","","","0.1069","0.1085","","","","","","1.02","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027169","13.427","0.003","11.024","0.0019","18.258","0.003","90","","108.236","0.003","90","","2566.8","0.8","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H26 N2 O2 S -","- C32 H26 N2 O2 S -","- C128 H104 N8 O8 S4 -","4","1","","Li-Rong Wen; Yong-Jie Shi; Guang-Yuan Liu; Ming Li","Modulating the Reactivity of Functionalized N,S-Ketene Acetal in MCR: Selective Synthesis of Tetrahydropyridines and Thiochromeno[2,3-b]pyridines via DABCO-Catalyzed Tandem Annulation","Journal of Organic Chemistry","2012","77","","4252","4260","10.1021/jo202665q","","","0.71073","MoKα","","0.0625","0.0562","","","0.1096","0.1131","","","","","","1.17","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027170","9.5186","0.0018","17.509","0.004","15.532","0.003","90","","92.392","0.003","90","","2586.3","0.9","173","2","173","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C31 H20 Cl2 N2 O2 S -","- C31 H20 Cl2 N2 O2 S -","- C124 H80 Cl8 N8 O8 S4 -","4","1","","Li-Rong Wen; Yong-Jie Shi; Guang-Yuan Liu; Ming Li","Modulating the Reactivity of Functionalized N,S-Ketene Acetal in MCR: Selective Synthesis of Tetrahydropyridines and Thiochromeno[2,3-b]pyridines via DABCO-Catalyzed Tandem Annulation","Journal of Organic Chemistry","2012","77","","4252","4260","10.1021/jo202665q","","","0.71073","MoKα","","0.0688","0.0606","","","0.1286","0.1339","","","","","","1.16","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027171","8.1755","0.0011","24.597","0.003","10.5038","0.0014","90","","96.984","0.003","90","","2096.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 N3 O6 -","- C22 H25 N3 O6 -","- C88 H100 N12 O24 -","4","1","","Chun-Fang Wu; Xin Zhao; Wen-Xian Lan; Chunyang Cao; Jin-Tao Liu; Xi-Kui Jiang; Zhan-Ting Li","A 1,4-Diphenyl-1,2,3-Triazole-Based β-Turn Mimic Constructed by Click Chemistry","Journal of Organic Chemistry","2012","77","","4261","4270","10.1021/jo300063u","","","0.71073","MoKα","","0.1157","0.0647","","","0.1687","0.1925","","","","","","0.928","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027172","26.1638","0.0012","13.1605","0.0004","14.4032","0.0006","90","","118.224","0.005","90","","4369.8","0.4","293","2","290","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C46 H40 N4 O10 S4 -","- C23 H20 N2 O5 S2 -","- C184 H160 N16 O40 S16 -","8","1","","Margherita Barbero; Silvano Cadamuro; Fabrizio Cauda; Stefano Dughera; Giuliana Gervasio; Paolo Venturello","Preparation and Characterization of Aryl or Heteroaryl(3-indolyl)methyliumo-Benzenedisulfonimides","Journal of Organic Chemistry","2012","77","","4278","4287","10.1021/jo300099y","","","0.7107","MoKα","","0.1588","0.041","","","0.0817","0.0961","","","","","","0.821","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027173","15.393","0.002","10.506","0.0017","15.698","0.003","90","","95.853","0.002","90","","2525.4","0.7","150","2","153","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H32 Br2 Cl2 In2 O4 -","- C16 H32 Br2 Cl2 In2 O4 -","- C64 H128 Br8 Cl8 In8 O16 -","4","1","","Lacie C. Hirayama; Terra D. Haddad; Allen G. Oliver; Bakthan Singaram","Direct Synthesis of B-Allyl and B-Allenyldiisopinocampheylborane Reagents Using Allyl or Propargyl Halides and Indium Metal Under Barbier-Type Conditions","Journal of Organic Chemistry","2012","77","","4342","4353","10.1021/jo300260a","","","0.71073","MoKα","","0.0596","0.0433","","","0.1082","0.1186","","","","","","1.027","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027174","35.7085","0.0018","9.474","0.0005","32.0035","0.0016","90","","106.182","0.004","90","","10397.9","0.9","140","1","140","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","Compound 5","2,11-bis-(CC-C6H4-I-3),-3,6,7,10-tetra-OC6H13-triphenylene","","- C58 H66 I2 O4 -","- C58 H66 I2 O4 -","- C464 H528 I16 O32 -","8","1","","Liang Zhang; David L. Hughes; Andrew N. Cammidge","Discotic Triphenylene Twins Linked through Thiophene Bridges: Controlling Nematic Behavior in an Intriguing Class of Functional Organic Materials","Journal of Organic Chemistry","2012","77","","4288","4297","10.1021/jo3002886","","","0.71073","Mo-Kα","","0.1808","0.1477","","","0.2102","0.2219","","","","","","1.348","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027175","22.5705","0.0017","22.5705","0.0017","8.0007","0.0006","90","","90","","90","","4075.8","0.5","173","2","173","2","","","","","","","","5","I -4","I -4","82","","","","- C23 H25 N O3 S -","- C23 H25 N O3 S -","- C184 H200 N8 O24 S8 -","8","1","","Nicolas Kern; Aurélien Blanc; Solène Miaskiewicz; Michelle Robinette; Jean-Marc Weibel; Patrick Pale","Coinage Metals-Catalyzed Cascade Reactions of Aryl Alkynylaziridines: Silver(I)-Single vs Gold(I)-Double Cyclizations","Journal of Organic Chemistry","2012","77","","4323","4341","10.1021/jo300294r","","","0.71073","MoKα","","0.1159","0.0597","","","0.1203","0.1413","","","","","","1.017","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027176","7.4418","0.0009","9.7027","0.0012","16.862","0.002","90","","90","","90","","1217.5","0.3","293","2","293","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H18 N O2 S -","- C11 H17 N O2 S -","- C44 H68 N4 O8 S4 -","4","1","","Xiaofei Sun; Xingzhao Tu; Chuan Dai; Xiaoping Zhang; Binbin Zhang; Qingle Zeng","Palladium-Catalyzed C-N Cross Coupling of Sulfinamides and Aryl Halides","Journal of Organic Chemistry","2012","77","","4454","4459","10.1021/jo3003584","","","0.7107","MoKα","","0.0576","0.0428","","","0.0836","0.0916","","","","","","1.099","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027177","20.608","0.005","9.544","0.002","15.325","0.004","90","","90","","90","","3014.2","1.2","298","2","298","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C17 H16 N O3 -","- C17 H16 N O3 -","- C136 H128 N8 O24 -","8","1","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1361","0.0803","","","0.1989","0.2305","","","","","","1.097","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027178","9.425","0.002","9.795","0.002","19.043","0.005","88.577","0.005","76.249","0.004","74.04","0.004","1640.3","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N O4 -","- C18 H19 N O4 -","- C72 H76 N4 O16 -","4","2","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1294","0.0668","","","0.1685","0.2066","","","","","","1.036","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027179","13.176","0.003","7.9947","0.0016","17.487","0.004","90","","98.144","0.004","90","","1823.5","0.7","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O5 -","- C19 H21 N O5 -","- C76 H84 N4 O20 -","4","1","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1682","0.0649","","","0.1337","0.1688","","","","","","0.998","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027180","8.584","0.004","9.358","0.004","30.734","0.013","90","","93.044","0.008","90","","2465.4","1.9","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H32 N O7 -","- C25 H32 N O7 -","- C100 H128 N4 O28 -","4","1","","Kyle M. Schmid; Lasse Jensen; Scott T. Phillips","A Self-Immolative Spacer That Enables Tunable Controlled Release of Phenols under Neutral Conditions","Journal of Organic Chemistry","2012","77","","4363","4374","10.1021/jo300400q","","","0.71073","MoKα","","0.1099","0.0756","","","0.2058","0.2326","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027181","9.6045","0.0005","17.108","0.0007","11.7885","0.0005","90","","97.614","0.004","90","","1919.93","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N3 O4 -","- C21 H19 N3 O4 -","- C84 H76 N12 O16 -","4","1","","Abdolali Alizadeh; Atieh Rezvanian; Long-Guan Zhu","Synthesis of Heterocyclic [3.3.3]Propellanes via a Sequential Four-Component Reaction","Journal of Organic Chemistry","2012","77","","4385","4390","10.1021/jo300457m","","","0.71073","MoKα","","0.1026","0.0784","","","0.224","0.2532","","","","","","0.986","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027182","9.9784","0.0005","13.6537","0.0007","14.6285","0.0007","90","","104.214","0.005","90","","1932","0.17","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H19 N3 O6 -","- C21 H19 N3 O6 -","- C84 H76 N12 O24 -","4","1","","Abdolali Alizadeh; Atieh Rezvanian; Long-Guan Zhu","Synthesis of Heterocyclic [3.3.3]Propellanes via a Sequential Four-Component Reaction","Journal of Organic Chemistry","2012","77","","4385","4390","10.1021/jo300457m","","","0.71073","MoKα","","0.0528","0.0371","","","0.0961","0.1095","","","","","","0.91","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027183","9.543","0.012","10.96","0.013","27.61","0.03","90","","90","","90","","2888","6","298","2","298","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H32 Br Cl2 N O3 -","- C31 H32 Br Cl2 N O3 -","- C124 H128 Br4 Cl8 N4 O12 -","4","1","","Jing Nie; Ming-Qing Hua; Heng-Ying Xiong; Yan Zheng; Jun-An Ma","Asymmetric Phase-Transfer-Catalyzed Conjugate Addition of Glycine Imine to Exocyclic α,β-Unsaturated Ketones: Construction of Polycyclic Imines Containing Three Stereocenters","Journal of Organic Chemistry","2012","77","","4209","4216","10.1021/jo300500r","","","0.71073","MoKα","","0.1514","0.1261","","","0.3521","0.3733","","","","","","1.301","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027184","22.202","0.005","5.6791","0.0011","16.357","0.003","90","","103.799","0.014","90","","2002.9","0.7","173","2","173","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C27 H23 N -","- C27 H23 N -","- C108 H92 N4 -","4","1","","Yilin Liu; Ziping Cao; Haifeng Du","Asymmetric Allylic Alkylation of Pyrroles and 4,7-Dihydroindoles with Alkene-Phosphine Ligands","Journal of Organic Chemistry","2012","77","","4479","4483","10.1021/jo300539y","","","1.54186","CuKα","","0.083","0.0649","","","0.1406","0.1529","","","","","","1.141","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027185","10.0388","0.0003","18.6942","0.0005","10.7459","0.0003","90","","98.576","0.001","90","","1994.11","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H29 N O3 -","- C22 H29 N O3 -","- C88 H116 N4 O12 -","4","1","","Cui-Cui Wang; Wei-Dong Z. Li","A Convergent and Stereocontrolled Cycloaddition Strategy toward Eudesmane Sesquiterpenoid: Total Synthesis of (\±)-6β,14-Epoxyeudesm-4(15)-en-1β-ol","Journal of Organic Chemistry","2012","77","","4217","4225","10.1021/jo300556r","","","0.71073","MoKα","","0.0596","0.0388","","","0.096","0.1073","","","","","","1.04","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027186","14.6915","0.0018","12.6135","0.0016","11.3554","0.0014","90","","104.313","0.001","90","","2039","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 O4 -","- C23 H30 O4 -","- C92 H120 O16 -","4","1","","Cui-Cui Wang; Wei-Dong Z. Li","A Convergent and Stereocontrolled Cycloaddition Strategy toward Eudesmane Sesquiterpenoid: Total Synthesis of (\±)-6β,14-Epoxyeudesm-4(15)-en-1β-ol","Journal of Organic Chemistry","2012","77","","4217","4225","10.1021/jo300556r","","","0.71073","MoKα","","0.0746","0.0454","","","0.1112","0.1283","","","","","","1.024","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4027187","7.924","0.003","9.569","0.004","13.406","0.005","74.476","0.004","80.638","0.004","77.042","0.004","948.8","0.6","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H25 F O3 -","- C16 H25 F O3 -","- C32 H50 F2 O6 -","2","1","","Cui-Cui Wang; Wei-Dong Z. Li","A Convergent and Stereocontrolled Cycloaddition Strategy toward Eudesmane Sesquiterpenoid: Total Synthesis of (\±)-6β,14-Epoxyeudesm-4(15)-en-1β-ol","Journal of Organic Chemistry","2012","77","","4217","4225","10.1021/jo300556r","","","0.71073","MoKα","","0.0774","0.0502","","","0.1309","0.1436","","","","","","1.002","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027188","7.8181","0.001","10.983","0.0013","11.1607","0.0015","89.577","0.015","79.907","0.015","80.382","0.015","930","0.2","150","","","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 N4 O2 S -","- C20 H22 N4 O2 S -","- C40 H44 N8 O4 S2 -","2","1","","Gwenaelle Bouscary-Desforges; Agnes Bombrun; John Kallikat Augustine; Gérald Bernardinelli; Anna Quattropani","Access and Regioselective Transformations of 6-Substituted 4-Aryl-2,8-dichloropyrido[3,2-d]pyrimidine Compounds","Journal of Organic Chemistry","2012","77","","4586","4595","10.1021/jo300189q","","","0.71073","MoKα","","","0.036","","","","0.035","","","","","","1.16","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027189","10.2751","0.0003","11.4027","0.0002","13.4566","0.0004","90","","112.131","0.004","90","","1460.47","0.08","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić","Sterically Congested Adamantylnaphthalene Quinone Methides","Journal of Organic Chemistry","2012","77","","4596","4610","10.1021/jo3002479","","x-ray","1.54184","CuKα","","","0.0624","","","","0.1914","","","","","","1.051","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027190","9.6033","0.0006","13.7896","0.0008","11.3522","0.0006","90","","90","","90","","1503.32","0.15","293","2","293","2","","","","","","","","3","P b c 21","P 2c -2b","29","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić","Sterically Congested Adamantylnaphthalene Quinone Methides","Journal of Organic Chemistry","2012","77","","4596","4610","10.1021/jo3002479","","x-ray","1.54179","CuKα","","","0.0867","","","","0.2807","","","","","","1.068","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027191","12.2521","0.0002","12.6316","0.0002","9.1798","0.0001","90","","90","","90","","1420.7","0.04","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Jelena Veljković; Lidija Uzelac; Krešimir Molčanov; Kata Mlinarić-Majerski; Marijeta Kralj; Peter Wan; Nikola Basarić","Sterically Congested Adamantylnaphthalene Quinone Methides","Journal of Organic Chemistry","2012","77","","4596","4610","10.1021/jo3002479","","x-ray","1.54184","CuKα","","","0.0373","","","","0.101","","","","","","1.051","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027192","10.5574","0.0006","17.5629","0.0011","18.0754","0.0011","65.971","0.003","83.37","0.003","85.089","0.003","3037.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C51 H95 N7 O25 -","- C51 H93 N7 O25 -","- C102 H186 N14 O50 -","2","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Dicarboxylate Recognition by Two Macrobicyclic Receptors: Selectivity for Fumarate over Maleate","Journal of Organic Chemistry","2012","77","","4611","4621","10.1021/jo300320w","","","0.71073","MoKα","","0.0625","0.0454","","","0.1236","0.1367","","","","","","1.05","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027193","14.1666","0.0005","23.7321","0.0009","22.6743","0.0008","90","","93.267","0.002","90","","7610.8","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C55.5 H98 N7 O32.5 -","- C55.5 H75 N7 O32.5 -","- C222 H300 N28 O130 -","4","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Dicarboxylate Recognition by Two Macrobicyclic Receptors: Selectivity for Fumarate over Maleate","Journal of Organic Chemistry","2012","77","","4611","4621","10.1021/jo300320w","","","0.71073","MoKα","","0.1253","0.0904","","","0.2624","0.2953","","","","","","1.022","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027194","10.68","0.03","15.07","0.06","15.07","0.06","64.99","0.02","78.7","0.02","78.7","0.02","2138","13","120","","120","","","","","","","","","5","P -1","-P 1","2","","","","- C23 H26 N O4.5 S -","- C23 H26 N O4.5 S -","- C92 H104 N4 O18 S4 -","4","2","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.7107","MoKα","","","0.051","","","","0.124","","","","","","1.003","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027195","11.143","0.003","12.249","0.003","15.112","0.004","90","","94.278","0.008","90","","2056.9","0.9","150","","150","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.7107","MoKα","","","0.042","","","","0.055","","","","","","1.011","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027196","7.98","0.002","20.081","0.006","12.971","0.004","90","","90.084","0.009","90","","2078.6","1","140","","140","","","","","","","","","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","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.71075","MoKα","","0.1025","0.0806","","","0.2453","0.2693","","","","","","1.101","","","","has coordinates,has disorder","178450","2020-10-21","18:00:00",""
"4027197","15.198","0.011","15.97","0.02","18.368","0.013","90","","97.46","0.005","90","","4420","7","150.1","","150.1","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C47 H52 Cl2 N2 O8 S2 -","- C47 H52 Cl2 N2 O8 S2 -","- C188 H208 Cl8 N8 O32 S8 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.7107","MoKα","","","0.066","","","","0.166","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027198","11.064","0.007","15.26","0.01","14.585","0.01","90","","100.06","0.02","90","","2425","3","150","","150","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl3 N O4 S -","- C24 H25 Cl3 N O4 S -","- C96 H100 Cl12 N4 O16 S4 -","4","1","","Masatoshi, Tanimura; Nobuko Watanabe; Hisako K. Ijuin; Masakatsu Matsumoto","Base-Induced Chemiluminescent Decomposition of Bicyclic Dioxetanes Bearing a (Benzothiazol-2-yl)-3-hydroxyphenyl Group: A Radiationless Pathway Leading to Marked Decline of Chemiluminescence Efficiency","Journal of Organic Chemistry","2012","77","","4725","4731","10.1021/jo300417e","","","0.71075","MoKα","","","0.1498","","","","0.3072","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027199","7.149","0.005","9.428","0.006","14.029","0.01","78.84","0.03","78.62","0.03","80.2","0.03","900.8","1.1","113","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C28 H15 N -","- C28 H15 N -","- C56 H30 N2 -","2","1","","Tomohito Ide; Sho Sakamoto; Daisuke Takeuchi; Kohtaro Osakada; Shigeru Machida","Strained and Unstrained Macrocycles Composed of Carbazole and Butadiyne Units: Electronic State and Optical Properties","Journal of Organic Chemistry","2012","77","","4837","4841","10.1021/jo300441k","","","0.7107","MoKα","","","0.0758","","","","0.207","","","","","","1.825","","","","has coordinates","178450","2020-10-21","18:00:00",""
"4027200","8.413","0.004","11.5095","0.0013","21.036","0.003","90","","90","","90","","2036.9","1","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H24 N2 O2 S -","- C23 H24 N2 O2 S -","- C92 H96 N8 O8 S4 -","4","1","","Damien Cartigny; Farouk Berhal; Takuto Nagano; Phannarath Phansavath; Tahar Ayad; Jean-Pierre Genêt; Takashi Ohshima; Kazushi Mashima; Virginie Ratovelomanana-Vidal","General Asymmetric Hydrogenation of 2-Alkyl- and 2-Aryl-Substituted Quinoxaline Derivatives Catalyzed by Iridium-Difluorphos: Unusual Halide Effect and Synthetic Application","Journal of Organic Chemistry","2012","77","","4544","4556","10.1021/jo300455y","","","1.54184","CuKα","","0.0442","0.0375","","","0.0972","0.1023","","","","","","1.032","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027201","16.1291","0.0016","7.6863","0.0007","16.5264","0.0016","90","","118.686","0.002","90","","1797.4","0.3","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O3 -","- C20 H23 N O3 -","- C80 H92 N4 O12 -","4","1","","Manjinder S. Lall; Garrett Hoge; Tuan P. Tran; William Kissel; Sean T. Murphy; Clarke Taylor; Kim Hutchings; Brian Samas; Edmund L. Ellsworth; Timothy Curran; H. D. Hollis Showalter","Stereoselective Synthesis of (S)-3-(Methylamino)-3-((R)-pyrrolidin-3-yl)propanenitrile","Journal of Organic Chemistry","2012","77","","4732","4739","10.1021/jo3004716","","","0.71073","MoKα","","0.107","0.0605","","","0.1249","0.1441","","","","","","1.046","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027202","13.7269","0.001","11.5617","0.0008","15.2996","0.0011","90","","98.286","0.002","90","","2402.8","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H29 F3 N2 O4 -","- C25 H29 F3 N2 O4 -","- C100 H116 F12 N8 O16 -","4","1","","James C. Anderson; Alexander J. Blake; Paul J. Koovits; Gregory J. Stepney","Diastereoselective Reductive Nitro-Mannich Reactions","Journal of Organic Chemistry","2012","77","","4711","4724","10.1021/jo300535h","","","0.71073","MoKα","","0.0591","0.044","","","0.105","0.11","","","","","","0.99","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027203","10.8003","0.0008","15.5619","0.0011","13.3428","0.001","90","","98.359","0.002","90","","2218.7","0.3","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 F3 N2 O5 -","- C23 H21 F3 N2 O5 -","- C92 H84 F12 N8 O20 -","4","1","","James C. Anderson; Alexander J. Blake; Paul J. Koovits; Gregory J. Stepney","Diastereoselective Reductive Nitro-Mannich Reactions","Journal of Organic Chemistry","2012","77","","4711","4724","10.1021/jo300535h","","","0.71073","MoKα","","0.0532","0.0476","","","0.132","0.137","","","","","","1.05","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027204","11.0621","0.0005","17.185","0.0007","19.0239","0.0008","90","","90","","90","","3616.5","0.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C45 H38 Br N2 P Pd -","- C45 H38 Br N2 P Pd -","- C180 H152 Br4 N8 P4 Pd4 -","4","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0719","0.0462","","","0.0917","0.0995","","","","","","1.044","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027205","11.0806","0.0006","16.439","0.0009","11.2749","0.0007","90","","114.756","0.001","90","","1865.03","0.19","173","2","173","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C37 H35 Cl6 N2 P Pd -","- C37 H35 Cl6 N2 P Pd -","- C74 H70 Cl12 N4 P2 Pd2 -","2","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0311","0.0284","","","0.0594","0.0602","","","","","","0.997","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027206","8.2495","0.0003","15.617","0.0005","21.9201","0.0006","90","","90","","90","","2824.02","0.16","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C29 H35 Cl2 N2 P Pd -","- C29 H35 Cl2 N2 P Pd -","- C116 H140 Cl8 N8 P4 Pd4 -","4","1","","Abel Ros; Beatriz Estepa; Antonio Bermejo; Eleuterio Álvarez; Rosario Fernández; José M. Lassaletta","Phosphino Hydrazones as Suitable Ligands in the Asymmetric Suzuki-Miyaura Cross-Coupling","Journal of Organic Chemistry","2012","77","","4740","4750","10.1021/jo300548z","","","0.71073","MoKα","","0.0347","0.0306","","","0.0687","0.0709","","","","","","1.017","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027207","10.998","0.002","13.506","0.003","10.615","0.002","90","","104.76","0.03","90","","1524.7","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Heng Li; Lantao Liu; Fei Zhao; Congyang Wang; Chao Wang; Qiuling Song; Wen-Xiong Zhang; Zhenfeng Xi","Carbonylation of 1-Lithiobutadiene with Carbon Monoxide Followed by Intramolecular Acyllithiation of C=C Double Bond and Intermolecular Acylation with Acid Chloride: Scope, Applications, and Mechanistic Aspects","Journal of Organic Chemistry","2012","77","","4793","4800","10.1021/jo300631d","","","0.71073","MoKα","","0.0696","0.0615","","","0.122","0.1268","","","","","","1.156","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027208","12.119","0.002","12.595","0.003","17.064","0.005","90","","131.633","0.018","90","","1946.7","1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 I O2 -","- C21 H27 I O2 -","- C84 H108 I4 O8 -","4","1","","Heng Li; Lantao Liu; Fei Zhao; Congyang Wang; Chao Wang; Qiuling Song; Wen-Xiong Zhang; Zhenfeng Xi","Carbonylation of 1-Lithiobutadiene with Carbon Monoxide Followed by Intramolecular Acyllithiation of C=C Double Bond and Intermolecular Acylation with Acid Chloride: Scope, Applications, and Mechanistic Aspects","Journal of Organic Chemistry","2012","77","","4793","4800","10.1021/jo300631d","","","0.71073","MoKα","","0.0618","0.0501","","","0.0954","0.0995","","","","","","1.228","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027209","10.696","0.002","10.81","0.002","21.42","0.004","87.582","0.009","87.472","0.009","66.488","0.005","2268","0.7","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H62 Li2 O5 -","- C52 H62 Li2 O5 -","- C104 H124 Li4 O10 -","2","1","","Heng Li; Lantao Liu; Fei Zhao; Congyang Wang; Chao Wang; Qiuling Song; Wen-Xiong Zhang; Zhenfeng Xi","Carbonylation of 1-Lithiobutadiene with Carbon Monoxide Followed by Intramolecular Acyllithiation of C=C Double Bond and Intermolecular Acylation with Acid Chloride: Scope, Applications, and Mechanistic Aspects","Journal of Organic Chemistry","2012","77","","4793","4800","10.1021/jo300631d","","","0.71073","MoKα","","0.0943","0.0823","","","0.1783","0.1866","","","","","","1.146","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027210","36.7114","0.0004","36.7114","0.0004","6.5334","0.0001","90","","90","","90","","8805.24","0.19","120","2","120","2","","","","","","","","4","I 4","I 4","79","","","","- C19 H26 N2 O8 -","- C19 H26 N2 O8 -","- C304 H416 N32 O128 -","16","2","","Jory Lietard; Christian J. Leumann","Synthesis, Pairing, and Cellular Uptake Properties of C(6')-Functionalized Tricyclo-DNA","Journal of Organic Chemistry","2012","77","","4566","4577","10.1021/jo300648u","","","0.71073","MoKα","","0.1122","0.076","","","0.1836","0.2037","","","","","","1.026","","","","has coordinates","178089","2020-10-21","18:00:00",""
"4027211","7.4477","0.0003","12.7681","0.0005","19.9691","0.0007","99.9974","0.0015","94.1978","0.0014","98.252","0.002","1841.32","0.12","103","2","103","2","","","","","","","","4","P -1","-P 1","2","5a","5a","","- C23 H17 Br O5 -","- C23 H17 Br O5 -","- C92 H68 Br4 O20 -","4","2","","Shuhei Azuma; Kazuyuki Nishio; Konomi Kubo; Takahiro Sasamori; Norihiro Tokitoh; Kouji Kuramochi; Kazunori Tsubaki","Three Different Dimerizations of 2-Bromo-3-methyl-1,4-naphthoquinones","Journal of Organic Chemistry","2012","77","","4812","4820","10.1021/jo300696m","","","0.71075","MoKα","","0.0683","0.0426","","","0.0934","0.1052","","","","","","1.014","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027212","7.7643","0.0002","8.4551","0.0004","14.7234","0.0007","78.003","0.002","82.8791","0.0015","62.504","0.0018","838.22","0.06","103","2","103","2","","","","","","","","4","P -1","-P 1","2","8a","8a","","- C22 H13 Br O4 -","- C22 H13 Br O4 -","- C44 H26 Br2 O8 -","2","1","","Shuhei Azuma; Kazuyuki Nishio; Konomi Kubo; Takahiro Sasamori; Norihiro Tokitoh; Kouji Kuramochi; Kazunori Tsubaki","Three Different Dimerizations of 2-Bromo-3-methyl-1,4-naphthoquinones","Journal of Organic Chemistry","2012","77","","4812","4820","10.1021/jo300696m","","","0.71075","MoKα","","0.0319","0.0271","","","0.0635","0.0651","","","","","","1.066","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027213","13.3456","0.0017","13.9614","0.0018","17.993","0.002","80.542","0.004","76.244","0.004","81.536","0.004","3191.6","0.7","142","2","142","2","","","","","","","","8","P 1","P 1","1","","","","- C63 H54 B F24 Ir N O2 P -","- C63 H54 B F24 Ir N O2 P -","- C126 H108 B2 F48 Ir2 N2 O4 P2 -","2","2","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0702","0.0613","","","0.1567","0.1643","","","","","","1.075","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027214","18.343","0.003","19.435","0.004","36.805","0.007","90","","90","","90","","13121","4","122","2","122","2","","","","","","","","8","C 2 2 21","C 2c 2","20","","","","- C64 H56 B F24 Ir N O2 P -","- C64 H56 B F24 Ir N O2 P -","- C512 H448 B8 F192 Ir8 N8 O16 P8 -","8","1","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0459","0.0354","","","0.0741","0.0775","","","","","","1.038","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027215","13.3687","0.0003","13.9471","0.0002","18.1489","0.0004","80.297","0.001","75.627","0.001","81.943","0.001","3213.96","0.11","152","2","152","2","","","","","","","","9","P 1","P 1","1","","","","- C63 H54 B F24 Ir N O P S -","- C63 H54 B F24 Ir N O P S -","- C126 H108 B2 F48 Ir2 N2 O2 P2 S2 -","2","2","","Frauke Maurer; Volker Huch; Angelika Ullrich; Uli Kazmaier","Development of Catalysts for the Stereoselective Hydrogenation of α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","5139","5143","10.1021/jo300246c","","","0.71073","MoKα","","0.0547","0.0451","","","0.1189","0.1243","","","","","","1.045","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027216","7.2223","0.0006","8.8729","0.0007","10.2165","0.0008","97.124","0.007","97.815","0.007","106.878","0.008","611.38","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H20 O3 -","- C12 H20 O3 -","- C24 H40 O6 -","2","1","","Björn Nelson; Sonja Herres-Pawlis; Wolf Hiller; Hans Preut; Carsten Strohmann; Martin Hiersemann","Palladium(II)-Catalyzed Cycloisomerization of Substituted 1,5-Hexadienes: A Combined Experimental and Computational Study on an Open and an Interrupted Hydropalladation/Carbopalladation/β-Hydride Elimination (HCHe) Catalytic Cycle","Journal of Organic Chemistry","2012","77","","4980","4995","10.1021/jo3004088","","","0.71073","MoKα","","0.0481","0.0372","","","0.0993","0.1024","","","","","","1.031","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027217","9.0823","0.0009","11.2934","0.0007","11.7674","0.0016","87.965","0.007","72.478","0.01","77.756","0.007","1124.3","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H36 O6 -","- C22 H36 O6 -","- C44 H72 O12 -","2","1","","Björn Nelson; Sonja Herres-Pawlis; Wolf Hiller; Hans Preut; Carsten Strohmann; Martin Hiersemann","Palladium(II)-Catalyzed Cycloisomerization of Substituted 1,5-Hexadienes: A Combined Experimental and Computational Study on an Open and an Interrupted Hydropalladation/Carbopalladation/β-Hydride Elimination (HCHe) Catalytic Cycle","Journal of Organic Chemistry","2012","77","","4980","4995","10.1021/jo3004088","","","0.71073","MoKα","","0.1234","0.0674","","","0.2488","0.258","","","","","","1.181","","","","has coordinates","271679","2022-01-02","08:39:52",""
"4027218","6.4296","0.001","11.576","0.002","13.443","0.003","88.587","0.011","77.275","0.009","75.406","0.01","944","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Indoline","","","- C22 H19 N O3 S -","- C22 H19 N O3 S -","- C44 H38 N2 O6 S2 -","2","1","","Chinmay Chowdhury; Bimolendu Das; Sanjukta Mukherjee; Basudeb Achari","Palladium-Catalyzed Approach for the General Synthesis of (E)-2-Arylmethylidene-N-tosylindolines and (E)-2-Arylmethylidene-N-tosyl/nosyltetrahydroquinolines: Access to 2-Substituted Indoles and Quinolines","Journal of Organic Chemistry","2012","77","","5108","5119","10.1021/jo300458v","","","0.71073","MoKα","","0.0518","0.0425","","","0.1186","0.131","","","","","","0.717","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027219","9.8549","0.001","12.8504","0.0013","15.1652","0.0015","88.796","0.005","74.623","0.005","86.501","0.005","1848.3","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","Indole","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","2","","Chinmay Chowdhury; Bimolendu Das; Sanjukta Mukherjee; Basudeb Achari","Palladium-Catalyzed Approach for the General Synthesis of (E)-2-Arylmethylidene-N-tosylindolines and (E)-2-Arylmethylidene-N-tosyl/nosyltetrahydroquinolines: Access to 2-Substituted Indoles and Quinolines","Journal of Organic Chemistry","2012","77","","5108","5119","10.1021/jo300458v","","","0.71073","MoKα","","0.0723","0.0498","","","0.1401","0.1628","","","","","","0.872","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027220","11.5728","0.0013","13.8184","0.0016","14.6931","0.0016","90","","97.691","0.005","90","","2328.5","0.5","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","Tetrahydroquinoline","","","- C25 H22 F3 N O3 S -","- C25 H22 F3 N O3 S -","- C100 H88 F12 N4 O12 S4 -","4","1","","Chinmay Chowdhury; Bimolendu Das; Sanjukta Mukherjee; Basudeb Achari","Palladium-Catalyzed Approach for the General Synthesis of (E)-2-Arylmethylidene-N-tosylindolines and (E)-2-Arylmethylidene-N-tosyl/nosyltetrahydroquinolines: Access to 2-Substituted Indoles and Quinolines","Journal of Organic Chemistry","2012","77","","5108","5119","10.1021/jo300458v","","","0.71073","MoKα","","0.0818","0.0705","","","0.2407","0.2524","","","","","","1.931","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027221","52.736","0.005","8.718","0.002","8.401","0.002","90","","95.568","0.005","90","","3844.2","1.3","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H24 B F2 N3 O3 -","- C19 H24 B F2 N3 O3 -","- C152 H192 B8 F16 N24 O24 -","8","1","","Gilles Ulrich; Alexandre Haefele; Pascal Retailleau; Raymond Ziessel","Carbonyl Derivatives of Boradiazaindacene via Catalytic CO Insertion","Journal of Organic Chemistry","2012","77","","5036","5048","10.1021/jo300477p","","","0.71069","MoKα","","0.0875","0.0605","","","0.1519","0.1738","","","","","","1.055","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027222","7.702","0.002","11.706","0.003","17.463","0.005","106.33","0.008","96.692","0.005","92.331","0.005","1496.2","0.7","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H35 B F2 N2 O4 -","- C33 H35 B F2 N2 O4 -","- C66 H70 B2 F4 N4 O8 -","2","1","","Gilles Ulrich; Alexandre Haefele; Pascal Retailleau; Raymond Ziessel","Carbonyl Derivatives of Boradiazaindacene via Catalytic CO Insertion","Journal of Organic Chemistry","2012","77","","5036","5048","10.1021/jo300477p","","","0.71069","MoKα","","0.1309","0.0947","","","0.2305","0.2481","","","","","","1.148","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027223","4.05","0.0013","16.162","0.005","5.946","0.002","90","","94.298","0.018","90","","388.1","0.2","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H8 O2 -","- C10 H8 O2 -","- C20 H16 O4 -","2","1","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0682","0.0534","","","0.1423","0.1518","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027224","7.5014","0.0003","11.778","0.0005","16.6978","0.0006","109.783","0.002","96.555","0.002","95.722","0.002","1363.95","0.1","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C75 H48 O10 -","- C75 H48 O10 -","- C75 H48 O10 -","1","0.5","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0847","0.0739","","","0.1633","0.1674","","","","","","1.246","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027225","7.23","0.0003","11.86","0.0004","11.276","0.0005","90","","96.494","0.002","90","","960.69","0.07","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","2","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0741","0.0606","","","0.1805","0.2005","","","","","","1.093","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027226","13.7031","0.0006","11.587","0.0006","9.2497","0.0006","90","","103.61","0.002","90","","1427.41","0.13","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C19 H15 N O2 -","- C19 H15 N O2 -","- C76 H60 N4 O8 -","4","1","","Veerababurao Kavala; Cheng-Chuan Wang; Deepak Kumar Barange; Chun-Wei Kuo; Po-Min Lei; Ching-Fa Yao","Synthesis of Isocoumarin Derivatives via the Copper-Catalyzed Tandem Sequential Cyclization of 2- Halo-N-phenyl Benzamides and Acyclic 1,3-Diketones","Journal of Organic Chemistry","2012","77","","5022","5029","10.1021/jo300501j","","","0.71073","MoKα","","0.0923","0.052","","","0.1356","0.1951","","","","","","1.189","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027227","12.7013","0.0016","13.3293","0.0016","15.6503","0.0019","90","","106.462","0.007","90","","2541","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 N4 O2 -","- C28 H26 N4 O2 -","- C112 H104 N16 O8 -","4","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.2668","0.0628","","","0.1382","0.2161","","","","","","0.804","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027228","9.8152","0.0006","10.6246","0.0005","17.8012","0.0008","90","","90","","90","","1856.35","0.17","298","2","298","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C20 H15 Cl2 N3 O -","- C20 H15 Cl2 N3 O -","- C80 H60 Cl8 N12 O4 -","4","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.0809","0.0452","","","0.1166","0.138","","","","","","0.836","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027229","9.2005","0.0005","12.503","0.0006","17.8158","0.0009","90","","90","","90","","2049.42","0.18","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N4 S2 -","- C22 H18 N4 S2 -","- C88 H72 N16 S8 -","4","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.1198","0.0473","","","0.0884","0.1069","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027230","19.1122","0.0016","12.5233","0.001","7.4703","0.0006","90","","100.455","0.004","90","","1758.3","0.2","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H19 N3 -","- C22 H19 N3 -","- C88 H76 N12 -","4","0.5","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.0602","0.0512","","","0.1541","0.1651","","","","","","1.281","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027231","9.8369","0.0015","4.7221","0.0008","11.647","0.0018","90","","91.268","0.01","90","","540.88","0.15","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 Cl2 N2 -","- C12 H8 Cl2 N2 -","- C24 H16 Cl4 N4 -","2","0.5","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.0381","0.0351","","","0.0864","0.0887","","","","","","1.018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027232","5.8381","0.0013","11.958","0.003","12.782","0.003","106.642","0.019","92.54","0.02","91.559","0.019","853.4","0.4","298","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H13 Cl2 N3 -","- C20 H13 Cl2 N3 -","- C40 H26 Cl4 N6 -","2","1","","Murali Mohan Guru; Tharmalingam Punniyamurthy","Copper(II)-Catalyzed Aerobic Oxidative Synthesis of Substituted 1,2,3- and 1,2,4-Triazoles from Bisarylhydrazones via C-H Functionalization/C-C/N-N/C-N Bonds Formation","Journal of Organic Chemistry","2012","77","","5063","5073","10.1021/jo300592t","","","0.71073","MoKα","","0.1106","0.0811","","","0.2055","0.2311","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027233","20.0342","0.0007","8.4347","0.0003","6.9512","0.0002","90","","95.392","0.002","90","","1169.43","0.07","120","2","120","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H15 F N2 O4 -","- C12 H15 F N2 O4 -","- C48 H60 F4 N8 O16 -","4","1","","Punit P. Seth; Jinghua Yu; Ali Jazayeri; Pradeep S. Pallan; Charles R Allerson; Michael E. Østergaard; Fengwu Liu; Piet Herdewijn; Martin Egli; Eric E. Swayze","Synthesis and Antisense Properties of Fluoro Cyclohexenyl Nucleic Acid (F-CeNA), a Nuclease Stable Mimic of 2'-Fluoro RNA","Journal of Organic Chemistry","2012","77","","5074","5085","10.1021/jo300594b","","","1.54178","CuKα","","0.0254","0.0249","","","0.0645","0.0649","","","","","","1.054","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027234","9.5109","0.0012","17.89","0.002","10.9068","0.0013","90","","99.108","0.002","90","","1832.4","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O4 -","- C20 H23 N O4 -","- C80 H92 N4 O16 -","4","1","","Xiao-Dan Han; Yu-Long Zhao; Jia Meng; Chuan-Qing Ren; Qun Liu","Synthesis of Acridines and Persubstituted Phenols from Cyclobutenones and Active Methylene Ketones","Journal of Organic Chemistry","2012","77","","5173","5178","10.1021/jo300615t","","","0.71073","MoKα","","0.1289","0.072","","","0.1749","0.2117","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027235","9.7188","0.0009","9.6693","0.0009","22.025","0.002","90","","90.29","0.001","90","","2069.8","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C80 H116 Cl4 N8 O8 -","4","1","","Xiao-Dan Han; Yu-Long Zhao; Jia Meng; Chuan-Qing Ren; Qun Liu","Synthesis of Acridines and Persubstituted Phenols from Cyclobutenones and Active Methylene Ketones","Journal of Organic Chemistry","2012","77","","5173","5178","10.1021/jo300615t","","","0.71073","MoKα","","0.0495","0.0386","","","0.0953","0.1025","","","","","","1.054","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027236","11.6744","0.0011","18.397","0.0011","7.8711","0.0007","90","","114.956","0.004","90","","1532.7","0.2","293.1","","","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C14 H20 O8 -","- C14 H20 O8 -","- C56 H80 O32 -","4","1","","Arif Baran; Sinem Çambul; Mehmet Nebioglu; Metin Balci","Design, Synthesis, and Biological Activities of Some Branched Carbasugars: Construction of a Substituted 6-Oxabicyclo[3.2.1]nonane Skeleton","Journal of Organic Chemistry","2012","77","","5086","5097","10.1021/jo300655p","","","0.7107","MoKα","","","0.059","","","","0.083","","","","","","0.91","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027237","4.8321","0.0007","21.157","0.003","6.4661","0.0009","90","","95.816","0.003","90","","657.64","0.16","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H14 O5 S -","- C12 H13 O5 S -","- C24 H26 O10 S2 -","2","1","","Antonio Latorre; Irakusne López; Victoria Ramírez; Santiago Rodríguez; Javier Izquierdo; Florenci V. González; Cristian Vicent","Radical Mechanism in the Elimination of 2-Arylsulfinyl Esters","Journal of Organic Chemistry","2012","77","","5191","5197","10.1021/jo300699w","","","0.71073","MoKα","","0.0685","0.0424","","","0.0928","0.1034","","","","","","1.03","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027238","6.175","0.0003","12.2731","0.0007","18.6361","0.001","90","","93.8223","0.0007","90","","1409.22","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C60 H72 N8 O16 -","4","1","","Claude Larrivée Aboussafy; Derrick L. J. Clive","A Dieckmann Cyclization Route to Piperazine-2,5-diones","Journal of Organic Chemistry","2012","77","","5125","5131","10.1021/jo3007144","","","0.71073","MoKα","","0.0427","0.0349","","","0.0908","0.0965","","","","","","1.04","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027239","7.5236","0.0006","9.5911","0.0007","8.5262","0.0007","90","","105.191","0.0009","90","","593.75","0.08","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C26 H26 N6 O4 -","2","1","","Claude Larrivée Aboussafy; Derrick L. J. Clive","A Dieckmann Cyclization Route to Piperazine-2,5-diones","Journal of Organic Chemistry","2012","77","","5125","5131","10.1021/jo3007144","","","0.71073","MoKα","","0.0348","0.0321","","","0.0787","0.0806","","","","","","1.06","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027240","12.8042","0.0003","6.8053","0.0002","11.993","0.0003","90","","115.906","0.001","90","","940.01","0.04","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 N2 O4 -","- C8 H12 N2 O4 -","- C32 H48 N8 O16 -","4","1","","Claude Larrivée Aboussafy; Derrick L. J. Clive","A Dieckmann Cyclization Route to Piperazine-2,5-diones","Journal of Organic Chemistry","2012","77","","5125","5131","10.1021/jo3007144","","","1.54178","CuKα","","0.0441","0.0397","","","0.1162","0.128","","","","","","1.145","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027241","8.66143","0.00018","8.7821","0.00017","11.5908","0.0002","90","","90","","90","","881.66","0.03","100","","100","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C6 H11 N O6 S -","- C6 H11 N O6 S -","- C24 H44 N4 O24 S4 -","4","1","","Vincent Gauchot; Andreea R. Schmitzer","Asymmetric Aldol Reaction Catalyzed by the Anion of an Ionic Liquid","Journal of Organic Chemistry","2012","77","","4917","4923","10.1021/jo300737u","","","1.54178","CuKα","","0.0229","0.0225","","","0.0615","0.0618","","","","","","1.092","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027242","8.189","0.0006","7.185","0.0005","11.259","0.0007","90","","93.555","0.002","90","","661.18","0.08","296","1","296","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H12 Cl F O3 -","- C14 H12 Cl F O3 -","- C28 H24 Cl2 F2 O6 -","2","1","","Yunkui Liu; Jie Zhu; Jianqiang Qian; Zhenyuan Xu","Gold-Catalyzed Simultaneous Formation of C-C, C=O, and C-F bonds in the Presence of Selectfluor: A Synthesis of Fluoroindenes from Allene Esters","Journal of Organic Chemistry","2012","77","","5411","5417","10.1021/jo3006528","","","0.71073","MoKα","","0.1222","0.0478","","","0.1115","0.1494","","","","","","1","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027243","6.8882","0.0005","20.8439","0.0015","8.2554","0.0006","90","","90.028","0.001","90","","1185.29","0.15","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Organic","Organic","","- C12 H10 N2 O6 -","- C12 H10 N2 O6 -","- C48 H40 N8 O24 -","4","1","","Xinfang Xu; Dmitry Shabashov; Peter Y. Zavalij; Michael P. Doyle","Substrate-Dependent Divergent Outcomes from Catalytic Reactions of Silyl-Protected Enol Diazoacetates with Nitrile Oxides: Azabicyclo[3.1.0]hexanes or 5-Arylaminofuran-2(3H)-ones","Journal of Organic Chemistry","2012","77","","5313","5317","10.1021/jo3006733","","","0.71073","MoKα","","0.0379","0.035","","","0.0702","0.0714","","","","","","1","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027244","20.464","0.003","6.1223","0.0009","19.024","0.003","90","","114.916","0.006","90","","2161.6","0.6","143","1","143","1","","","","","","","","5","P 1 2/c 1","-P 2yc","13","","","","- C21 H30 F2 N2 O5 -","- C21 H30 F2 N2 O5 -","- C84 H120 F8 N8 O20 -","4","1","","Grant R. Krow; Matthew D. Shoulders; Ramakrishna Edupuganti; Deepa Gandla; Fang Yu; Philip E. Sonnet; Matthew Sender; Amit Choudhary; Charles DeBrosse; Charles W. Ross; Patrick Carroll; Ronald T. Raines","Synthesis of 5-Fluoro- and 5-Hydroxymethanoprolines via Lithiation of N-BOC-methanopyrrolidines. Constrained Cγ-Exo and Cγ-Endo Flp and Hyp Conformer Mimics","Journal of Organic Chemistry","2012","77","","5331","5344","10.1021/jo300700a","","","0.71073","MoKα","","0.1687","0.1252","","","0.3161","0.3533","","","","","","1.087","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027245","13.0951","0.001","9.4194","0.0007","20.0552","0.0012","90","","117.713","0.004","90","","2190","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 O7 P -","- C22 H27 O7 P -","- C88 H108 O28 P4 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0609","0.0498","","","0.1209","0.1268","","","","","","1.035","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027246","6.6332","0.0006","19.8814","0.0018","15.591","0.0014","90","","105.794","0.008","90","","1978.5","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 O2 P -","- C24 H21 O2 P -","- C96 H84 O8 P4 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0699","0.0518","","","0.1222","0.1307","","","","","","1.026","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027247","12.678","0.002","17.397","0.003","17.716","0.005","90","","114.278","0.018","90","","3561.9","1.4","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 O2 P -","- C21 H17 O2 P -","- C168 H136 O16 P8 -","8","2","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0952","0.0426","","","0.0823","0.0916","","","","","","0.866","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027248","9.892","0.003","11.884","0.004","18.63","0.006","97.442","0.005","98.266","0.006","90.151","0.005","2148.6","1.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H25 O2 P -","- C26 H25 O2 P -","- C104 H100 O8 P4 -","4","2","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0834","0.0674","","","0.1692","0.1789","","","","","","1.114","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027249","11.4961","0.0007","14.8975","0.0011","16.1208","0.0012","90","","132.778","0.004","90","","2026.5","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H23 O2 P -","- C24 H23 O2 P -","- C96 H92 O8 P4 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.1116","0.0584","","","0.0946","0.1145","","","","","","0.983","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027250","17.5578","0.0008","8.6412","0.0004","28.8289","0.0017","90","","90","","90","","4373.9","0.4","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H24 Cl O2 P -","- C24 H24 Cl O2 P -","- C192 H192 Cl8 O16 P8 -","8","2","","K. V. Sajna; K. C. Kumara Swamy","Allenylphosphonates/Allenylphosphine Oxides as Intermediates/Precursors for Intramolecular Cyclization Leading to Phosphorus-Based Indenes, Indenones, Benzofurans, and Isochromenes","Journal of Organic Chemistry","2012","77","","5345","5356","10.1021/jo300705f","","","0.71073","MoKα","","0.0636","0.0397","","","0.0831","0.0893","","","","","","0.95","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027251","6.6397","0.0001","9.9763","0.0002","7.518","0.0002","90","","92.753","0.001","90","","497.415","0.018","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 N O3 S -","- C9 H11 N O3 S -","- C18 H22 N2 O6 S2 -","2","1","","Hyeon-Kyu Lee; Soyeong Kang; Eun Bok Choi","Stereoselective Synthesis of Norephedrine and Norpseudoephedrine by Using Asymmetric Transfer Hydrogenation Accompanied by Dynamic Kinetic Resolution","Journal of Organic Chemistry","2012","77","","5454","5460","10.1021/jo300867y","","","0.71073","MoKα","","0.0307","0.0289","","","0.0754","0.077","","","","","","1.029","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027252","7.7016","0.0003","13.849","0.0005","26.611","0.0011","90","","90","","90","","2838.31","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C32 H41 N O7 -","- C32 H41 N O7 -","- C128 H164 N4 O28 -","4","1","","Alexey Yu. Sukhorukov; Yaroslav D. Boyko; Yulia V. Nelyubina; Stephane Gerard; Sema L. Ioffe; Vladimir A. Tartakovsky","Synthesis of PDE IVb Inhibitors. 3. Synthesis of (+)-, (-)-, and (\±)-7-[3-(Cyclopentyloxy)-4-methoxyphenyl]hexahydro-3H-pyrrolizin-3-one via Reductive Domino Transformations of 3-β-Carbomethoxyethyl-Substituted Six-Membered Cyclic Nitronates","Journal of Organic Chemistry","2012","77","","5465","5469","10.1021/jo300955n","","","0.71073","MoKα","","0.0402","0.034","","","0.0816","0.0857","","","","","","1.004","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027253","33.13","0.005","10.4844","0.0017","16.523","0.003","90","","111.386","0.003","90","","5344.1","1.5","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C232 H248 N24 O48 -","8","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0859","0.0437","","","0.0872","0.1026","","","","","","1.011","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027254","9.3727","0.0019","10.02","0.002","15.193","0.003","102.788","0.004","104.677","0.003","99.305","0.004","1309.7","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H31 N3 O6 -","- C29 H31 N3 O6 -","- C58 H62 N6 O12 -","2","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0865","0.0673","","","0.1576","0.1703","","","","","","1.097","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027255","9.929","0.004","18.23","0.006","21.043","0.007","90","","90","","90","","3809","2","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C21 H23 N3 O5 -","- C21 H23 N3 O5 -","- C168 H184 N24 O40 -","8","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0465","0.0448","","","0.1002","0.1013","","","","","","1.172","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027256","10.2239","0.0008","10.7231","0.0009","15.4953","0.0013","91.714","0.001","103.39","0.001","117.764","0.001","1443.5","0.2","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O5 -","- C14 H17 N3 O5 -","- C56 H68 N12 O20 -","4","2","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.043","0.0374","","","0.0941","0.0987","","","","","","1.031","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027257","7.4388","0.0005","26.4633","0.0017","14.6237","0.001","90","","93.58","0.003","90","","2873.1","0.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H31 N3 O8 -","- C31 H31 N3 O8 -","- C124 H124 N12 O32 -","4","2","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0527","0.0375","","","0.0752","0.0821","","","","","","1.047","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027258","15.345","0.002","11.1876","0.0018","12.2187","0.0019","90","","103.406","0.002","90","","2040.5","0.5","133","2","133","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C17 H25 N O10 -","- C17 H25 N O10 -","- C68 H100 N4 O40 -","4","1","","Bharat P. Gurale; Mysore S. Shashidhar; Rajesh G. Gonnade","Synthesis of the Aminocyclitol Units of (-)-Hygromycin A and Methoxyhygromycin from myo-Inositol","Journal of Organic Chemistry","2012","77","","5801","5807","10.1021/jo300444b","","","0.71073","MoKα","","0.0355","0.0351","","","0.0889","0.0894","","","","","","1.087","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027259","19.998","0.002","5.522","0.001","18.252","0.005","90","","96.127","0.005","90","","2004","0.7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","(4S,5S,6S)-N-benzyl-5-(benzylamino)-6-hydroxy-1,2,3-oxathiazepane -4-carboxamide 2,2-dioxide","","- C19 H23 N3 O5 S -","- C19 H23 N3 O5 S -","- C76 H92 N12 O20 S4 -","4","1","","Marcelo Siqueira Valle; Mauricio Frota Saraiva; Pascal Retailleau; Mauro V. de Almeida; Robert H. Dodd","Rhodium-Catalyzed Intramolecular Formation of N-Sulfamoyl 2,3-Aziridino-γ-lactones and Their Use for the Enantiospecific Synthesis of α,β-Diamino Acid Derivatives","Journal of Organic Chemistry","2012","77","","5592","5599","10.1021/jo300468j","","","0.71069","MoKα","","0.0841","0.0564","","","0.099","0.1123","","","","","","1.104","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027260","6.465","0.004","6.493","0.004","17.064","0.008","90","","90","","90","","716.3","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","aziridino-γ-lactone","(2aS,2a1R,5aS)-tetrahydro-2H-1,4-dioxa-3-thia-2b- azacyclopropa[hi]inden-2-one 3,3-dioxide","","- C5 H5 N O5 S -","- C5 H5 N O5 S -","- C20 H20 N4 O20 S4 -","4","1","","Marcelo Siqueira Valle; Mauricio Frota Saraiva; Pascal Retailleau; Mauro V. de Almeida; Robert H. Dodd","Rhodium-Catalyzed Intramolecular Formation of N-Sulfamoyl 2,3-Aziridino-γ-lactones and Their Use for the Enantiospecific Synthesis of α,β-Diamino Acid Derivatives","Journal of Organic Chemistry","2012","77","","5592","5599","10.1021/jo300468j","","","0.71073","MoKα","","0.0679","0.0647","","","0.1538","0.1553","","","","","","1.135","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027261","8.521","0.003","8.286","0.002","14.091","0.004","90","","102.858","0.005","90","","969.9","0.5","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 N O5 S -","- C21 H23 N O5 S -","- C42 H46 N2 O10 S2 -","2","1","","Lilia Fuentes; Urbano Osorio; Leticia Quintero; Herbert Höpfl; Nixache Vázquez-Cabrera; Fernando Sartillo-Piscil","Direct Chemical Method for Preparing 2,3-Epoxyamides Using Sodium Chlorite","Journal of Organic Chemistry","2012","77","","5515","5524","10.1021/jo300542d","","","0.71073","MoKα","","0.0699","0.0497","","","0.1069","0.1243","","","","","","1.007","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027262","27.241","0.01","5.734","0.002","23.284","0.008","90","","112.558","0.007","90","","3359","2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H38 N2 O6 -","- C40 H38 N2 O6 -","- C160 H152 N8 O24 -","4","0.5","","Lauren E. Polander; Laxman Pandey; Alexander Romanov; Alexandr Fonari; Stephen Barlow; Brian M. Seifried; Tatiana V. Timofeeva; Jean-Luc Brédas; Seth R. Marder","2,6-Diacylnaphthalene-1,8:4,5-Bis(dicarboximides): Synthesis, Reduction Potentials, and Core Extension","Journal of Organic Chemistry","2012","77","","5544","5551","10.1021/jo3006232","","","0.71073","MoKα","","0.0865","0.0516","","","0.1279","0.1549","","","","","","1.013","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027263","4.8953","0.001","12.709","0.003","14.175","0.003","88.727","0.004","83.038","0.004","79.127","0.004","859.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H50 N6 O2 -","- C38 H50 N6 O2 -","- C38 H50 N6 O2 -","1","0.5","","Lauren E. Polander; Laxman Pandey; Alexander Romanov; Alexandr Fonari; Stephen Barlow; Brian M. Seifried; Tatiana V. Timofeeva; Jean-Luc Brédas; Seth R. Marder","2,6-Diacylnaphthalene-1,8:4,5-Bis(dicarboximides): Synthesis, Reduction Potentials, and Core Extension","Journal of Organic Chemistry","2012","77","","5544","5551","10.1021/jo3006232","","","0.71073","MoKα","","0.0703","0.0485","","","0.134","0.1562","","","","","","0.929","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027264","4.806","0.006","14.85","0.02","14.93","0.02","60.43","0.02","85.26","0.02","89.2","0.02","923","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H38 N6 O2 -","- C40 H38 N6 O2 -","- C40 H38 N6 O2 -","1","0.5","","Lauren E. Polander; Laxman Pandey; Alexander Romanov; Alexandr Fonari; Stephen Barlow; Brian M. Seifried; Tatiana V. Timofeeva; Jean-Luc Brédas; Seth R. Marder","2,6-Diacylnaphthalene-1,8:4,5-Bis(dicarboximides): Synthesis, Reduction Potentials, and Core Extension","Journal of Organic Chemistry","2012","77","","5544","5551","10.1021/jo3006232","","","0.71073","MoKα","","0.2011","0.1","","","0.1992","0.2218","","","","","","0.998","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027265","9.2588","0.0005","9.4467","0.0005","12.5446","0.0007","90","","90","","90","","1097.21","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0431","0.032","","","0.0751","0.0784","","","","","","0.969","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027266","9.649","0.0005","5.8746","0.0003","12.3783","0.0007","90","","107.487","0.006","90","","669.23","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0472","0.0344","","","0.0707","0.0732","","","","","","0.926","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027267","7.2906","0.001","6.4842","0.0011","13.31","0.002","90","","104.68","0.01","90","","608.67","0.16","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C13 H22 O -","- C13 H22 O -","- C26 H44 O2 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0977","0.0686","","","0.17","0.1868","","","","","","1.18","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027268","10.0211","0.0005","5.8555","0.0002","11.9154","0.0006","90","","93.215","0.002","90","","698.08","0.05","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C30 H48 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0454","0.0392","","","0.0939","0.097","","","","","","1.148","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027269","6.1373","0.0002","10.5263","0.0004","30.6532","0.0013","90","","90","","90","","1980.29","0.13","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H36 O2 Si -","- C19 H36 O2 Si -","- C76 H144 O8 Si4 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0482","0.0344","","","0.0695","0.072","","","","","","0.92","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027270","6.4233","0.0005","9.7999","0.0007","8.5116","0.0007","90","","100.147","0.004","90","","527.41","0.07","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C12 H16 O3 -","- C12 H16 O3 -","- C24 H32 O6 -","2","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0493","0.0379","","","0.0895","0.0953","","","","","","1.081","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027271","5.8846","0.0004","9.0415","0.0005","26.2051","0.0014","90","","90","","90","","1394.26","0.14","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O3 -","- C15 H24 O3 -","- C60 H96 O12 -","4","1","","Daniel T. Hog; Peter Mayer; Dirk Trauner","A Unified Approach to trans-Hydrindane Sesterterpenoids","Journal of Organic Chemistry","2012","77","","5838","5843","10.1021/jo300726z","","","0.71073","MoKα","","0.0552","0.0361","","","0.0696","0.0738","","","","","","0.894","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027272","14.752","0.004","10.622","0.006","18.402","0.007","90","0.05","99.04","0.02","90","0.03","2848","2","122","2","122","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","Phenyl-TATA","4,8,12-Triphenyl-4,8,12-triazatriangulenium Tetrafluoroborate","","- C37 H24 B F4 N3 -","- C37 H24 B F4 N3 -","- C148 H96 B4 F16 N12 -","4","1","","Peter Hammershøj; Thomas Just Sørensen; Bao-Hang Han; Bo W. Laursen","Base-Assisted One-Pot Synthesis of N,N',N""-Triaryltriazatriangulenium Dyes: Enhanced Fluorescence Efficiency by Steric Constraints","Journal of Organic Chemistry","2012","77","","5606","5612","10.1021/jo3007732","","","0.71073","MoKα","","0.0867","0.0523","","","0.1463","0.1704","","","","","","1.18","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027273","14.517","0.0017","10.943","0.0018","19.669","0.0018","90","0.007","101.562","0.016","90","0.011","3061.2","0.7","122","2","122","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","4-bromophenyl-TATA","4,8,12-Tris(4-bromophenyl)-4,8,12-triazatriangulenium Tetrafluoroborate","","- C37 H21 B Br3 F4 N3 -","- C37 H21 B Br3 F4 N3 -","- C148 H84 B4 Br12 F16 N12 -","4","1","","Peter Hammershøj; Thomas Just Sørensen; Bao-Hang Han; Bo W. Laursen","Base-Assisted One-Pot Synthesis of N,N',N""-Triaryltriazatriangulenium Dyes: Enhanced Fluorescence Efficiency by Steric Constraints","Journal of Organic Chemistry","2012","77","","5606","5612","10.1021/jo3007732","","","0.71073","MoKα","","0.0956","0.0617","","","0.1852","0.2135","","","","","","1.438","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027274","13.321","0.003","7.8902","0.0016","11.259","0.002","90","","92.32","0.03","90","","1182.4","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H7 N3 O S2 -","- C11 H9 N3 O S2 -","- C44 H36 N12 O4 S8 -","4","1","","Kalen N. Swanick; Jacquelyn T. Price; Nathan D. Jones; Zhifeng Ding","Synthesis, Structure, Electrochemistry, and Electrochemiluminescence of Thienyltriazoles","Journal of Organic Chemistry","2012","77","","5646","5655","10.1021/jo300802h","","","0.71073","MoKα","","0.1086","0.0607","","","0.1546","0.1836","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027275","21.383","0.004","9.84","0.002","7.4392","0.0015","90","","90","","90","","1565.3","0.5","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H7 N3 O S -","- C7 H7 N3 O S -","- C56 H56 N24 O8 S8 -","8","1","","Kalen N. Swanick; Jacquelyn T. Price; Nathan D. Jones; Zhifeng Ding","Synthesis, Structure, Electrochemistry, and Electrochemiluminescence of Thienyltriazoles","Journal of Organic Chemistry","2012","77","","5646","5655","10.1021/jo300802h","","","0.71073","MoKα","","0.0717","0.0543","","","0.1566","0.1708","","","","","","1.078","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027276","16.8378","0.0018","5.0024","0.0005","13.1719","0.0013","90","","98.84","0.003","90","","1096.28","0.19","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N3 O S -","- C12 H9 N3 O S -","- C48 H36 N12 O4 S4 -","4","1","","Kalen N. Swanick; Jacquelyn T. Price; Nathan D. Jones; Zhifeng Ding","Synthesis, Structure, Electrochemistry, and Electrochemiluminescence of Thienyltriazoles","Journal of Organic Chemistry","2012","77","","5646","5655","10.1021/jo300802h","","","0.71073","MoKα","","0.0657","0.0431","","","0.1093","0.1205","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027277","8.06","0.004","8.06","0.004","45.41","0.03","90","","90","","90","","2950","3","296","2","296","2","","","","","","","","3","P 41 21 2","P 4abw 2nw","92","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C128 H160 O40 -","8","1","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0904","0.0576","","","0.1329","0.1517","","","","","","1.011","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027278","7.646","0.012","8.221","0.013","24.74","0.04","90","","90","","90","","1555","4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0899","0.0554","","","0.1219","0.1416","","","","","","1.013","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027279","7.876","0.002","11.589","0.003","16.392","0.004","90","","103.375","0.002","90","","1455.6","0.6","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C64 H80 O20 -","4","2","","Huaiji Zheng; Changgui Zhao; Bowen Fang; Peng Jing; Juan Yang; Xingang Xie; Xuegong She","Asymmetric Total Synthesis of Cladosporin and Isocladosporin","Journal of Organic Chemistry","2012","77","","5656","5663","10.1021/jo300805n","","","0.71073","MoKα","","0.0676","0.0445","","","0.0887","0.0999","","","","","","0.963","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027280","12.4399","0.0002","14.7988","0.0004","22.9356","0.0005","90","","119.712","0.002","90","","3667.22","0.16","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H29 B Br P -","- C18 H29 B Br P -","- C144 H232 B8 Br8 P8 -","8","2","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71073","MoKα","","0.0908","0.0448","","","0.0854","0.0984","","","","","","0.975","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027281","9.4694","0.0002","17.9407","0.0004","13.206","0.0003","90","","125.9","0.02","90","","1817.4","0.5","115","2","115","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H21 B Br P -","- C20 H21 B Br P -","- C80 H84 B4 Br4 P4 -","4","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71069","MoKα","","0.0394","0.0318","","","0.0788","0.0831","","","","","","1.052","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027282","7.6961","0.0002","14.5022","0.0005","9.1795","0.0003","90","","108.628","0.001","90","","970.85","0.05","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H21 B Br Fe P -","- C22 H21 B Br Fe P -","- C44 H42 B2 Br2 Fe2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71073","MoKα","","0.0338","0.0293","","","0.0629","0.0647","","","","","","1.058","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027283","7.8827","0.0002","14.6045","0.0003","9.2236","0.0003","90","","108.951","0.001","90","","1004.29","0.05","115","2","115","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C22 H21 B Fe I P -","- C22 H21 B Fe I P -","- C44 H42 B2 Fe2 I2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71073","MoKα","","0.0334","0.0314","","","0.0775","0.0788","","","","","","1.042","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027284","7.7546","0.0003","7.9132","0.0003","13.8306","0.0005","90","","94.355","0.002","90","","846.25","0.06","115","2","115","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 Br O P -","- C19 H16 Br O P -","- C38 H32 Br2 O2 P2 -","2","1","","Jérôme Bayardon; Hugo Laureano; Vincent Diemer; Mathieu Dutartre; Utpal Das; Yoann Rousselin; Jean-Christophe Henry; Françoise Colobert; Frédéric R. Leroux; Sylvain Jugé","Stereoselective Synthesis of o-Bromo (or Iodo)aryl P-Chirogenic Phosphines Based on Aryne Chemistry","Journal of Organic Chemistry","2012","77","","5759","5769","10.1021/jo300910w","","","0.71069","MoKα","","0.0386","0.0317","","","0.0675","0.0707","","","","","","1.026","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027285","7.4323","0.0008","18.203","0.004","10.8672","0.0013","90","","90.004","0.01","90","","1470.2","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","1","","Liyao Zheng; Jia Ju; Yunhui Bin; Ruimao Hua","Synthesis of Isoquinolines and Heterocycle-Fused Pyridines via Three-Component Cascade Reaction of Aryl Ketones, Hydroxylamine, and Alkynes","Journal of Organic Chemistry","2012","77","","5794","5800","10.1021/jo3010414","","","0.71073","MoKα","","0.1134","0.0616","","","0.1095","0.1379","","","","","","1.046","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027286","11.4395","0.0016","10.344","0.0014","29.606","0.003","90","","90","","90","","3503.3","0.8","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C26 H19 N O2 -","- C26 H19 N O2 -","- C208 H152 N8 O16 -","8","1","","Heinz Langhals; Christian Dietl; Andreas Zimpel; Peter Mayer","Noncovalent Control of Absorption and Fluorescence Spectra","Journal of Organic Chemistry","2012","77","","5965","5970","10.1021/jo300540h","","","0.71073","MoKα","","0.1209","0.0605","","","0.1142","0.137","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027287","13.6243","0.0001","10.1431","0.0001","16.1047","0.0001","90","","90.032","0.001","90","","2225.55","0.03","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N2 O6 -","- C26 H28 N2 O6 -","- C104 H112 N8 O24 -","4","2","","Arben I. Haziri; Christian J. Leumann","Synthesis and Pairing Properties of Oligodeoxynucleotides Containing Bicyclo-RNA and Bicyclo-ANA Modifications","Journal of Organic Chemistry","2012","77","","5861","5869","10.1021/jo300554w","","","0.71073","MoKα","","0.035","0.0314","","","0.089","0.0906","","","","","","1.07","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027288","8.1897","0.0001","10.6876","0.0001","11.0632","0.0002","72.737","0.001","88.705","0.001","79.657","0.001","909.21","0.02","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H10 Cl4 O3 -","- C15 H10 Cl4 O3 -","- C30 H20 Cl8 O6 -","2","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0612","0.0393","","","0.081","0.0856","","","","","","0.886","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027289","15.0317","0.0015","14.8962","0.0015","6.9832","0.0007","90","","90","","90","","1563.6","0.3","173","2","173","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C15 H10 Cl4 O3 -","- C15 H10 Cl4 O3 -","- C60 H40 Cl16 O12 -","4","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.096","0.0485","","","0.1059","0.1214","","","","","","0.927","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027290","11.7205","0.0007","10.086","0.0006","13.4468","0.0008","90","","110.531","0.003","90","","1488.62","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H10 Cl4 O2 -","- C15 H10 Cl4 O2 -","- C60 H40 Cl16 O8 -","4","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0831","0.0779","","","0.1723","0.1743","","","","","","1.238","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027291","8.10471","0.00007","10.58276","0.00009","11.01017","0.0001","70.911","0.0003","87.9066","0.0004","82.4967","0.0004","884.756","0.014","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H7 Cl5 O2 -","- C14 H7 Cl5 O2 -","- C28 H14 Cl10 O4 -","2","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0277","0.0239","","","0.0631","0.0641","","","","","","1.074","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027292","11.827","0.002","25.952","0.004","10.3778","0.0018","90","","118.359","0.003","90","","2803","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H8 Cl4 O2 -","- C14 H8 Cl4 O2 -","- C112 H64 Cl32 O16 -","8","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0599","0.0434","","","0.1038","0.1134","","","","","","1.031","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027293","7.1671","0.0018","10.654","0.003","12.606","0.003","85.824","0.006","79.449","0.005","89.246","0.005","943.8","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 Cl4 O4 -","- C15 H12 Cl4 O4 -","- C30 H24 Cl8 O8 -","2","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0476","0.0433","","","0.1135","0.1155","","","","","","1.103","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027294","11.804","0.016","37.23","0.03","7.129","0.006","90","","90","","90","","3133","6","294","2","294","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H9 Cl5 O3 -","- C14 H9 Cl5 O3 -","- C112 H72 Cl40 O24 -","8","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0886","0.0652","","","0.1444","0.1651","","","","","","0.922","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027295","11.6597","0.0014","34.37","0.004","7.0803","0.0009","90","","90","","90","","2837.4","0.6","173","2","173","2","","","","","","","","4","I b a 2","I 2 -2c","45","","","","- C14 H10 Cl4 O3 -","- C14 H10 Cl4 O3 -","- C112 H80 Cl32 O24 -","8","1","","Sergiy V. Rosokha; Vasiliy Korotchenko; Charlotte L. Stern; Vladimir Zaitsev; Jeremy T. Ritzert","Substituent-Induced Switch of the Role of Charge-Transfer Complexes in the Diels-Alder Reactions of o-Chloranil and Styrenes","Journal of Organic Chemistry","2012","77","","5971","5981","10.1021/jo300614k","","","0.71073","MoKα","","0.0686","0.0631","","","0.1431","0.147","","","","","","1.147","","","","has coordinates","178451","2020-10-21","18:00:00",""
"4027296","9.3264","0.0015","10.1503","0.0019","12.7968","0.0019","82.257","0.014","74.207","0.014","66.55","0.016","1068.9","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 F3 N3 O4 S -","- C22 H22 F3 N3 O4 S -","- C44 H44 F6 N6 O8 S2 -","2","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.119","0.0487","","","0.1067","0.1127","","","","","","1.032","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027297","8.4617","0.001","13.2934","0.0016","15.59","0.002","90","","94.826","0.011","90","","1747.4","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N3 O -","- C21.988 H23 N3 O -","- C87.952 H92 N12 O4 -","4","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.1074","0.0468","","","0.1111","0.121","","","","","","1.01","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027298","17.543","0.002","6.2491","0.0006","17.155","0.002","90","","96.562","0.01","90","","1868.3","0.4","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C84 H100 N12 O8 -","4","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.1518","0.0453","","","0.082","0.0887","","","","","","1.002","","","","has coordinates,has disorder","178451","2020-10-21","18:00:00",""
"4027299","9.2825","0.001","14.3343","0.0007","13.1795","0.0014","90","","107.327","0.01","90","","1674.1","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N3 O2 S -","- C16 H23 N3 O2 S -","- C64 H92 N12 O8 S4 -","4","1","","Ilya N. Egorov; Tatyana A. Tseitler; Igor S. Kovalev; Pavel A. Slepukhin; Vladimir L. Rusinov; Oleg N. Chupakhin","Chichibabin-Type Condensation of Cyclic Ketones with 3-R-1,2,4-triazin-5(4H)-ones","Journal of Organic Chemistry","2012","77","","6007","6013","10.1021/jo300697v","","","0.71073","MoKα","","0.1028","0.0396","","","0.0926","0.0974","","","","","","1.01","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027300","8.4511","0.0017","9.701","0.0019","9.863","0.002","65.48","0.03","86.54","0.03","75.41","0.03","711.1","0.3","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H22 O4 -","- C14 H22 O4 -","- C28 H44 O8 -","2","1","","Teresa Varea; Ana Alcalde; Carolina López de Dicastillo; Carmen Ramírez de Arellano; Fernando P. Cossío; Gregorio Asensio","Selective ""One-Pot"" Synthesis of Functionalized Cyclopentenones","Journal of Organic Chemistry","2012","77","","6327","6331","10.1021/jo300806y","","","0.71073","MoKα","","0.0572","0.0394","","","0.0928","0.1009","","","","","","1.033","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027301","6.1261","0.0008","28.654","0.004","10.7204","0.0016","90","","103.418","0.007","90","","1830.5","0.4","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O3 S -","- C20 H19 N3 O3 S -","- C80 H76 N12 O12 S4 -","4","1","","Muthupandi Nagaraj; Muthusamy Boominathan; Devanathan Perumal; Shanmugam Muthusubramanian; Nattamai Bhuvanesh","Copper(I)-Catalyzed Cascade Sulfonimidate to Sulfonamide Rearrangement: Synthesis of Imidazo[1,2-a][1,4]diazepin-7(6H)-one","Journal of Organic Chemistry","2012","77","","6319","6326","10.1021/jo300855f","","","1.54178","CuKα","","0.0731","0.0677","","","0.1553","0.1595","","","","","","1.095","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027302","10.3272","0.0012","14.0891","0.0017","11.5515","0.0015","90","","115.18","0.007","90","","1521","0.3","110","2","110","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","imidazole derivative","","","- C19 H16 N2 O -","- C19 H16 N2 O -","- C76 H64 N8 O4 -","4","1","","Muthupandi Nagaraj; Muthusamy Boominathan; Devanathan Perumal; Shanmugam Muthusubramanian; Nattamai Bhuvanesh","Copper(I)-Catalyzed Cascade Sulfonimidate to Sulfonamide Rearrangement: Synthesis of Imidazo[1,2-a][1,4]diazepin-7(6H)-one","Journal of Organic Chemistry","2012","77","","6319","6326","10.1021/jo300855f","","","1.54178","CuKα","","0.0776","0.0697","","","0.1587","0.1645","","","","","","1.075","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027303","5.8205","0.0005","12.3343","0.0011","27.224","0.003","90","","90","","90","","1954.5","0.3","298","2","571","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 Cl F N O -","- C19 H23 Cl F N O -","- C76 H92 Cl4 F4 N4 O4 -","4","1","","Bruno Anxionnat; Benoit Robert; Pascal George; Gino Ricci; Marc-Antoine Perrin; Domingo Gomez Pardo; Janine Cossy","Ring Expansion of Cyclic β-Amino Alcohols Induced by Diethylaminosulfur Trifluoride: Synthesis of Cyclic Amines with a Tertiary Fluorine at C3","Journal of Organic Chemistry","2012","77","","6087","6099","10.1021/jo300887u","","","0.71073","MoKα","","0.0598","0.0504","","","0.1599","0.1662","","","","","","1.137","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027304","4.693","0.002","8.435","0.004","8.485","0.004","103.867","0.008","102.721","0.017","99.713","0.007","309.3","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0628","0.042","","","0.1068","0.1191","","","","","","1.036","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027305","14.229","0.006","9.395","0.004","19.2","0.009","90","","108.457","0.011","90","","2434.7","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","- C112 H32 F48 N32 -","8","1","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0425","0.0373","","","0.1069","0.1128","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027306","14.24403","0.00016","9.39943","0.00009","19.2102","0.0002","90","","108.48","0.0012","90","","2439.35","0.05","99.94","0.19","99.94","0.19","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H4 F6 N4 -","- C14 H4 F6 N4 -","- C112 H32 F48 N32 -","8","1","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.7107","MoKα","","0.0403","0.0346","","","0.0947","0.0992","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027307","4.881","0.002","7.116","0.004","10.683","0.005","86.323","0.012","83.458","0.009","88.653","0.014","367.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H4 F10 N4 -","- C16 H4 F10 N4 -","- C16 H4 F10 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0407","0.0355","","","0.1016","0.1079","","","","","","1.072","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027308","6.776","0.003","5.063","0.002","27.434","0.013","90","","96.026","0.008","90","","936","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H4 F14 N4 -","- C18 H4 F14 N4 -","- C36 H8 F28 N8 -","2","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.1345","0.1002","","","0.2536","0.2771","","","","","","1.146","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027309","5.469","0.004","8.662","0.006","19.04","0.014","90","","91.63","0.019","90","","901.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H4 F14 N4 -","- C18 H4 F14 N4 -","- C36 H8 F28 N8 -","2","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0889","0.0692","","","0.1587","0.1679","","","","","","1.105","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027310","21.2334","0.0007","12.6047","0.0003","8.5605","0.0002","90","","92.62","0.003","90","","2288.74","0.11","99.9","0.3","99.9","0.3","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H10 F10 N4 O -","- C24 H4 F10 N4 -","- C96 H16 F40 N16 -","4","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","1.5418","CuKα","","0.0324","0.0295","","","0.0806","0.0829","","","","","","1.05","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4027311","9.554","0.005","10.669","0.006","10.996","0.005","73.939","0.014","81.9","0.009","84.005","0.01","1063.8","1","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H2 Br2 F6 N4 -","- C14 H2 Br2 F6 N4 -","- C42 H6 Br6 F18 N12 -","3","1.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0309","0.0254","","","0.0635","0.0657","","","","","","1.105","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027312","4.959","0.002","8.559","0.004","10.259","0.005","90.869","0.011","94.021","0.007","102.739","0.015","423.5","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H2 Br2 F10 N4 -","- C16 H2 Br2 F10 N4 -","- C16 H2 Br2 F10 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0335","0.0281","","","0.0683","0.0706","","","","","","1.062","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027313","10.572","0.002","12.965","0.004","12.987","0.003","90","","107.308","0.006","90","","1699.5","0.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H16 Br4 F10 N4 -","- C38 H16 Br4 F10 N4 -","- C76 H32 Br8 F20 N8 -","2","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0816","0.0473","","","0.1107","0.1181","","","","","","1.19","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027314","5.101","0.003","7.908","0.004","9.882","0.005","80.425","0.011","82.339","0.007","76.7","0.013","380.7","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 Cl4 F6 N4 -","- C14 Cl4 F6 N4 -","- C14 Cl4 F6 N4 -","1","0.5","","Sonja Geib; Susanne C. Martens; Ute Zschieschang; Florian Lombeck; Hubert Wadepohl; Hagen Klauk; Lutz H. Gade","1,3,6,8-Tetraazapyrenes: Synthesis, Solid-State Structures, and Properties as Redox-Active Materials","Journal of Organic Chemistry","2012","77","","6107","6116","10.1021/jo300894p","","x-ray","0.71073","MoKα","","0.0577","0.0379","","","0.0828","0.0923","","","","","","1.024","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027315","10.9456","0.0002","12.8552","0.0002","21.7566","0.0004","90","","100.84","0.001","90","","3006.7","0.09","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 B P -","- C18 H16 B P -","- C144 H128 B8 P8 -","8","2","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0466","0.0407","","","0.1176","0.1247","","","","","","1.136","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027316","12.6583","0.0003","12.9947","0.0003","15.0536","0.0004","73.549","0.001","66.123","0.001","81.019","0.001","2169.14","0.09","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H24 B O2 P -","- C26 H24 B O2 P -","- C104 H96 B4 O8 P4 -","4","2","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0702","0.0567","","","0.155","0.1747","","","","","","1.059","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027317","10.9425","0.0002","14.361","0.0004","26.7154","0.0007","90","","90","","90","","4198.2","0.18","173","2","173","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H24 B O P -","- C26 H24 B O P -","- C208 H192 B8 O8 P8 -","8","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0782","0.0559","","","0.1388","0.1548","","","","","","1.076","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027318","11.1694","0.0003","14.4645","0.0006","14.2419","0.0005","90","","92.162","0.002","90","","2299.28","0.14","173","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C27 H26 B O2 P -","- C27 H26 B O2 P -","- C108 H104 B4 O8 P4 -","4","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0426","0.0414","","","0.1157","0.1174","","","","","","1.117","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027319","9.6796","0.0003","15.0266","0.0007","15.7565","0.0006","90","","95.443","0.002","90","","2281.47","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 B O2 P -","- C25 H30 B O2 P -","- C100 H120 B4 O8 P4 -","4","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0675","0.0488","","","0.1247","0.1407","","","","","","1.074","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027320","8.6791","0.0002","13.0784","0.0002","28.9528","0.0007","90","","94.256","0.001","90","","3277.33","0.12","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C35 H47 B Br O2 P -","- C35 H47 B Br O2 P -","- C140 H188 B4 Br4 O8 P4 -","4","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0447","0.0357","","","0.1018","0.1104","","","","","","1.067","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027321","9.555","0.0004","9.2222","0.0004","13.7263","0.0005","90","","107.389","0.001","90","","1154.26","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H26 B O2 P -","- C27 H26 B O2 P -","- C54 H52 B2 O4 P2 -","2","1","","Vincent Diemer; Anaïs Berthelot; Jérôme Bayardon; Sylvain Jugé; Frédéric R. Leroux; Françoise Colobert","Stereoselective Synthesis of P-Chirogenic Dibenzophosphole-Boranes via Aryne Intermediates","Journal of Organic Chemistry","2012","77","","6117","6127","10.1021/jo3009098","","","0.71073","MoKα","","0.0323","0.0291","","","0.078","0.0866","","","","","","1.127","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027322","11.283","0.002","15.681","0.003","22.336","0.005","90","","90","","90","","3951.9","1.4","93","2","93","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H48 B N O2 -","- C51 H48 B N O2 -","- C204 H192 B4 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.0895","0.0535","","","0.1053","0.12","","","","","","0.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027323","11.198","0.003","12.171","0.003","19.804","0.005","90","","90","","90","","2699.1","1.2","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C35 H33 N O2 -","- C35 H33 N O2 -","- C140 H132 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.0669","0.0526","","","0.1188","0.1277","","","","","","0.978","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027324","11.458","0.002","17.247","0.003","27.663","0.006","90","","90","","90","","5466.7","1.8","93","2","93","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H58 B Cl6 N O2 -","- C62 H58 B Cl6 N O2 -","- C248 H232 B4 Cl24 N4 O8 -","4","1","","Philip C. Bulman Page; Christopher J. Bartlett; Yohan Chan; David Day; Phillip Parker; Benjamin R. Buckley; Geracimos A. Rassias; Alexandra M. Z. Slawin; Steven M. Allin; Jérôme Lacour; André Pinto","Asymmetric Epoxidation Using Iminium Salt Organocatalysts Featuring Dynamically Controlled Atropoisomerism","Journal of Organic Chemistry","2012","77","","6128","6138","10.1021/jo300915u","","","0.71073","MoKα","","0.3058","0.1056","","","0.2036","0.2796","","","","","","0.882","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027325","6.8825","0.0006","10.5619","0.0008","13.8053","0.0011","90","","90","","90","","1003.54","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H12 O3 -","- C12 H12 O3 -","- C48 H48 O12 -","4","1","","Day-Shin Hsu; Shih-Chung Lin","Total Syntheses of Cladoacetals A and B: Confirmation of Absolute Configurations","Journal of Organic Chemistry","2012","77","","6139","6146","10.1021/jo300923e","","","0.71073","MoKα","","0.0543","0.048","","","0.0941","0.0967","","","","","","1.102","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027326","12.3286","0.0003","10.3522","0.0002","10.205","0.0002","90","","96.066","0.002","90","","1295.15","0.05","250.01","0.11","250.01","0.11","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","1","","Dennis U. Nielsen; Karoline Neumann; Rolf H. Taaning; Anders T. Lindhardt; Amalie Modvig; Troels Skrydstrup","Palladium-Catalyzed Double Carbonylation Using Near Stoichiometric Carbon Monoxide: Expedient Access to Substituted 13C2-Labeled Phenethylamines","Journal of Organic Chemistry","2012","77","","6155","6165","10.1021/jo3009337","","","0.7107","MoKα","","0.0552","0.0414","","","0.1017","0.1108","","","","","","1.038","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027327","9.2335","0.0018","10.93","0.002","14.245","0.003","95.14","0.03","90.06","0.03","112.38","0.03","1323","0.5","160","2","160","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C13 H17 N O3 -","- C13 H17 N O3 -","- C52 H68 N4 O12 -","4","2","","Dennis U. Nielsen; Karoline Neumann; Rolf H. Taaning; Anders T. Lindhardt; Amalie Modvig; Troels Skrydstrup","Palladium-Catalyzed Double Carbonylation Using Near Stoichiometric Carbon Monoxide: Expedient Access to Substituted 13C2-Labeled Phenethylamines","Journal of Organic Chemistry","2012","77","","6155","6165","10.1021/jo3009337","","x-ray","0.71073","MoKα","","0.0827","0.0512","","","0.1308","0.1488","","","","","","1.032","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027328","10.855","0.002","6.9558","0.0014","20.812","0.004","90","","93.333","0.004","90","","1568.8","0.5","293","2","293","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C18 H24 O4 -","- C18 H24 O4 -","- C72 H96 O16 -","4","1","","Sritama Bose; Manju Ghosh; Subrata Ghosh","Domino Ring-Opening Metathesis-Ring-Closing Metathesis of Bicyclo[2.2.2]octene Derivatives: Scope and Limitations","Journal of Organic Chemistry","2012","77","","6345","6350","10.1021/jo300945b","","","0.71073","MoKα","","0.0549","0.0471","","","0.1222","0.1337","","","","","","0.904","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027329","9.2644","0.0017","9.7808","0.0018","20.85","0.004","88.078","0.002","86.288","0.002","88.819","0.002","1883.9","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H40 N4 O3 -","- C47 H40 N4 O3 -","- C94 H80 N8 O6 -","2","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","meso-Aryl-3-alkyl-2-oxachlorins","Journal of Organic Chemistry","2012","77","","6199","6207","10.1021/jo300964v","","","0.71073","MoKα","","0.1201","0.0652","","","0.1939","0.2545","","","","","","0.822","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027330","10.6322","0.0011","12.8331","0.0013","26.909","0.003","90","","90.658","0.005","90","","3671.3","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C49 H42 N4 O -","- C49 H42 N4 O -","- C196 H168 N16 O4 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","meso-Aryl-3-alkyl-2-oxachlorins","Journal of Organic Chemistry","2012","77","","6199","6207","10.1021/jo300964v","","","1.54178","CuKα","","0.0429","0.0408","","","0.1127","0.1153","","","","","","0.823","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027331","13.2442","0.0013","18.707","0.0019","17.9647","0.0018","90","","91.793","0.001","90","","4448.7","0.8","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C52 H41 N5 O2 Zn -","- C52 H41 N5 O2 Zn -","- C208 H164 N20 O8 Zn4 -","4","1","","Junichi Ogikubo; Eileen Meehan; James T. Engle; Christopher J. Ziegler; Christian Brückner","meso-Aryl-3-alkyl-2-oxachlorins","Journal of Organic Chemistry","2012","77","","6199","6207","10.1021/jo300964v","","","0.71073","MoKα","","0.1079","0.0609","","","0.1463","0.1679","","","","","","0.912","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027332","12.6533","0.0008","15.8418","0.0002","8.8587","0.0001","90","","105.971","0.008","90","","1707.19","0.13","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N3 O4 -","- C18 H19 N3 O4 -","- C72 H76 N12 O16 -","4","1","","James C. Anderson; Lisa R. Horsfall; Andreas S. Kalogirou; Matthew R. Mills; Gregory J. Stepney; Graham J. Tizzard","Stereoselective Synthesis of Densely Functionalized Pyrrolidin-2-ones by a Conjugate Addition/Nitro-Mannich/Lactamization Reaction","Journal of Organic Chemistry","2012","77","","6186","6198","10.1021/jo301000r","","","1.54187","CuKα","","0.09","0.0739","","","0.2028","0.2354","","","","","","1.062","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027333","8.3399","0.0001","10.1614","0.0001","22.2832","0.0015","90","","90","","90","","1888.39","0.13","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 F3 N2 O3 S -","- C19 H19 F3 N2 O3 S -","- C76 H76 F12 N8 O12 S4 -","4","1","","James C. Anderson; Lisa R. Horsfall; Andreas S. Kalogirou; Matthew R. Mills; Gregory J. Stepney; Graham J. Tizzard","Stereoselective Synthesis of Densely Functionalized Pyrrolidin-2-ones by a Conjugate Addition/Nitro-Mannich/Lactamization Reaction","Journal of Organic Chemistry","2012","77","","6186","6198","10.1021/jo301000r","","","1.54187","CuKα","","0.0253","0.0248","","","0.0635","0.0637","","","","","","1.058","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027334","6.34","0.001","8.649","0.0012","21.069","0.002","90","","90","","90","","1155.3","0.3","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","","Aidang Lu; Keling Hu; Youming Wang; Haibin Song; Zhenghong Zhou; Jianxin Fang; Chuchi Tang","Enantioselective Synthesis of trans-Dihydrobenzofurans via Primary Amine-Thiourea Organocatalyzed Intramolecular Michael Addition","Journal of Organic Chemistry","2012","77","","6208","6214","10.1021/jo301006e","","","1.54187","CuKα","","0.0703","0.0676","","","0.1428","0.1508","","","","","","1.122","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027335","8.8631","0.0005","19.8424","0.0014","25.717","0.002","90","","90","","90","","4522.7","0.5","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","6-(1-pyrene)-1,3-diphenylfulvene","6-(1-pyrene)-1,3-diphenylfulvene","","- C34 H22 -","- C34 H22 -","- C272 H176 -","8","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0499","0.0375","","","0.0844","0.0924","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027336","17.449","0.006","5.698","0.002","16.787","0.006","90","","99.761","0.004","90","","1644.9","1","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","1,3,6-triphenylfulvene","1,3,6-triphenylfulvene","","- C24 H18 -","- C24 H18 -","- C96 H72 -","4","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0465","0.0414","","","0.1047","0.1085","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027337","8.177","0.0018","8.7726","0.0018","14.965","0.004","104.847","0.003","90.349","0.003","109.606","0.002","972.5","0.4","100","2","100","2","","","","","","","","3","P -1","-P 1","2","6-(3,5-dimethoxyphenyl)-1,3-diphenylfulvene","6-(3,5-dimethoxyphenyl)-1,3-diphenylfulvene","","- C26 H22 O2 -","- C26 H22 O2 -","- C52 H44 O4 -","2","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0454","0.0425","","","0.1155","0.1187","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027338","21.841","0.003","6.1472","0.0008","26.751","0.003","90","","93.188","0.002","90","","3586.1","0.8","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","6-cyclohexyl-1,3-diphenylfulvene","6-cyclohexyl-1,3-diphenylfulvene","","- C24 H24 -","- C24 H24 -","- C192 H192 -","8","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0611","0.0467","","","0.1124","0.1216","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027339","31.085","0.005","10.1123","0.0018","10.3012","0.0018","90","","90.279","0.002","90","","3238","1","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","6-(tert-butyl)-1,3-diphenylfulvene","6-(tert-butyl)-1,3-diphenylfulvene","","- C22 H22 -","- C22 H22 -","- C176 H176 -","8","1","","Andrew J. Peloquin; Rebecca L. Stone; Sarah E. Avila; Erlyn R. Rudico; Christopher B. Horn; Kim A. Gardner; David W. Ball; Jane E. B. Johnson; Scott T. Iacono; Gary J. Balaich","Synthesis of 1,3-Diphenyl-6-alkyl/aryl-Substituted Fulvene Chromophores: Observation of π-π Interactions in a 6-Pyrene-Substituted 1,3-Diphenylfulvene","Journal of Organic Chemistry","2012","77","","6371","6376","10.1021/jo301101x","","","0.71073","MoKα","","0.0539","0.0435","","","0.1107","0.1177","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027340","17.699","0.002","17.699","0.002","5.8563","0.0004","90","","90","","90","","1834.5","0.3","200","0.2","200","0.2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N O3 S -","- C17 H27 N O3 S -","- C68 H108 N4 O12 S4 -","4","1","","Leleti Rajender Reddy; Kapa Prasad; Mahavir Prashad","A Protocol for an Asymmetric Synthesis of γ-Amino Acids","Journal of Organic Chemistry","2012","77","","6296","6301","10.1021/jo301177f","","","1.54184","CU-Kα","","0.068","0.063","","","0.173","0.182","","","","","","1.112","","","","has coordinates","288505","2023-12-22","15:12:01",""
"4027341","8.2998","0.0007","12.7159","0.0011","24.849","0.002","90","","90","","90","","2622.5","0.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 I N4 -","- C14 H11 I N4 -","- C112 H88 I8 N32 -","8","1","","Wendy S. Brotherton; Ronald J. Clark; Lei Zhu","Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion","Journal of Organic Chemistry","2012","77","","6443","6455","10.1021/jo300841c","","","0.71073","MoKα","","0.0219","0.0177","","","0.041","0.0435","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027342","23.9334","0.0009","8.3486","0.0003","20.4206","0.0009","90","","90","","90","","4080.2","0.3","153","2","153","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C8 H12 Cl Cu N4 O4 -","- C8 H12 Cl Cu N4 O4 -","- C96 H144 Cl12 Cu12 N48 O48 -","12","3","","Wendy S. Brotherton; Ronald J. Clark; Lei Zhu","Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion","Journal of Organic Chemistry","2012","77","","6443","6455","10.1021/jo300841c","","","0.71073","MoKα","","0.0496","0.0379","","","0.0671","0.0707","","","","","","1.158","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027343","9.5161","0.0009","15.6549","0.0015","15.886","0.0015","83.461","0.001","74.229","0.001","78.522","0.001","2227.5","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H36 I3 N -","- C16 H36 I3 N -","- C64 H144 I12 N4 -","4","2","","Wendy S. Brotherton; Ronald J. Clark; Lei Zhu","Synthesis of 5-Iodo-1,4-disubstituted-1,2,3-triazoles Mediated by in Situ Generated Copper(I) Catalyst and Electrophilic Triiodide Ion","Journal of Organic Chemistry","2012","77","","6443","6455","10.1021/jo300841c","","","0.71073","MoKα","","0.031","0.0281","","","0.0713","0.0728","","","","","","1.175","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027344","6.3491","0.0004","10.393","0.0006","12.2632","0.0007","94.175","0.001","100.446","0.001","100.344","0.001","778.2","0.08","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H28 N4 O2 -","- C42.996 H28 N4 O1.992 -","- C42.996 H28 N4 O1.992 -","1","0.5","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0581","0.0565","","","0.1378","0.1389","","","","","","1.157","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027345","14.863","0.009","17.01","0.011","14.667","0.009","90","","93.844","0.01","90","","3700","4","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C48 H31 N5 O2 Zn -","- C48 H31 N5 O2 Zn -","- C192 H124 N20 O8 Zn4 -","4","0.5","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.1308","0.0918","","","0.1962","0.2128","","","","","","1.169","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027346","6.3538","0.0016","10.375","0.003","12.253","0.003","94.819","0.004","99.495","0.004","101.047","0.004","776.3","0.4","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C43 H30 N4 O -","- C42.998 H29.996 N4 O0.998 -","- C42.998 H29.996 N4 O0.998 -","1","0.5","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0593","0.0449","","","0.1109","0.1206","","","","","","1.066","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027347","13.46","0.003","13.46","0.003","9.7678","0.0018","90","","90","","90","","1769.6","0.6","100","2","100","2","","","","","","","","4","I 4/m","-I 4","87","","","","- C44 H33 N4 O2.5 -","- C44 H33 N4 O2.5 -","- C88 H66 N8 O5 -","2","0.125","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0646","0.0531","","","0.153","0.1651","","","","","","1.051","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027348","10.4629","0.0019","13.445","0.002","20.798","0.004","91.532","0.003","91.461","0.003","108.916","0.003","2764.9","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H23 N5 O2 Zn -","- C36 H23 N5 O2 Zn -","- C144 H92 N20 O8 Zn4 -","4","2","","Christian Brückner; Junichi Ogikubo; Jason R. McCarthy; Joshua Akhigbe; Michael A. Hyland; Pedro Daddario; Jill L. Worlinsky; Matthias Zeller; James T. Engle; Christopher J. Ziegler; Matthew J. Ranaghan; Megan N. Sandberg; Robert R. Birge","meso-Arylporpholactones and their Reduction Products","Journal of Organic Chemistry","2012","77","","6480","6494","10.1021/jo300963m","","","0.71073","MoKα","","0.0501","0.0404","","","0.1096","0.1137","","","","","","1.071","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027349","10.5042","0.0002","6.092","0.0001","24.0074","0.0004","90","","95.815","0.001","90","","1528.37","0.05","100","1","100","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H24 O3 -","- C16 H24 O3 -","- C64 H96 O12 -","4","1","","Dongxu Shu; Xiaoxun Li; Min Zhang; Patrick J. Robichaux; Ilia A. Guzei; Weiping Tang","Rhodium-Catalyzed Carbonylation of Cyclopropyl Substituted Propargyl Esters: A Tandem 1,3-Acyloxy Migration [5 + 1] Cycloaddition","Journal of Organic Chemistry","2012","77","","6463","6472","10.1021/jo300973r","","","1.54178","CuKα","","0.0388","0.0361","","","0.1272","0.131","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027350","10.1195","0.0011","12.7149","0.0013","13.618","0.0014","90","","92.809","0.002","90","","1750.1","0.3","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl N3 O -","- C18 H22 Cl N3 O -","- C72 H88 Cl4 N12 O4 -","4","1","","María García-Valverde; Ignacio Alfonso; David Quiñonero; Roberto Quesada","Conformational Analysis of a Model Synthetic Prodiginine","Journal of Organic Chemistry","2012","77","","6538","6544","10.1021/jo301008c","","","0.71073","MoKα","","0.0639","0.0411","","","0.1042","0.1113","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027351","9.5644","0.0009","10.5005","0.001","19.778","0.0019","83.838","0.002","86.955","0.002","89.422","0.002","1972","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H25 N3 O4 S -","- C19 H25 N3 O4 S -","- C76 H100 N12 O16 S4 -","4","2","","María García-Valverde; Ignacio Alfonso; David Quiñonero; Roberto Quesada","Conformational Analysis of a Model Synthetic Prodiginine","Journal of Organic Chemistry","2012","77","","6538","6544","10.1021/jo301008c","","","0.71073","MoKα","","0.1151","0.0644","","","0.1461","0.1728","","","","","","0.975","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027352","21.2044","0.0004","10.4376","0.0002","21.7778","0.0005","90","","112.687","0.001","90","","4446.99","0.16","113","","113","","","","","","","","Synthetic compound","6","P 1 21/n 1","-P 2yn","14","[5,10,15-tris(4-methoxycarbonylphenyl)-5-oxaporphyrinato]zinc(II)","[5,10,15-tris(4-methoxycarbonylphenyl)-5-oxaporphyrinato] (trifluoroacetato)zinc(II)","","- C50 H29 F3 N4 O9 Zn -","- C50 H29 F3 N4 O9 Zn -","- C200 H116 F12 N16 O36 Zn4 -","4","1","","Kazuhisa Kakeya; Aya Nakagawa; Tadashi Mizutani; Yutaka Hitomi; Masahito Kodera","Synthesis, Reactivity, and Spectroscopic Properties of meso-Triaryl-5-oxaporphyrins","Journal of Organic Chemistry","2012","77","","6510","6519","10.1021/jo3010342","","x-ray","1.54187","CuKα","","0.1405","0.0852","","","0.2359","0.2791","","","","","","0.986","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027353","12.6159","0.0004","8.2338","0.0002","14.704","0.0004","90","","108.352","0.001","90","","1449.72","0.07","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 O4 -","- C18 H14 O4 -","- C72 H56 O16 -","4","1","","Manoj R. Zanwar; Mustafa J. Raihan; Sachin D. Gawande; Veerababurao Kavala; Donala Janreddy; Chun-Wei Kuo; Ram Ambre; Ching-Fa Yao","Alcohol Mediated Synthesis of 4-Oxo-2-aryl-4H-chromene-3-carboxylate Derivatives from 4-Hydroxycoumarins","Journal of Organic Chemistry","2012","77","","6495","6504","10.1021/jo301044y","","","0.71073","MoKα","","0.0422","0.0363","","","0.1038","0.118","","","","","","1.098","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027354","10.5667","0.0008","17.1216","0.0012","13.9635","0.001","90","","92.699","0.001","90","","2523.5","0.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 Cr Fe O6 S -","- C27 H20 Cr Fe O6 S -","- C108 H80 Cr4 Fe4 O24 S4 -","4","1","","Alexandra R. Rivero; Israel Fernández; Miguel A. Sierra","Regioselective and Stepwise [8 + 2] Cycloaddition Reaction between Alkynyl-Fischer Carbene Complexes and Tropothione","Journal of Organic Chemistry","2012","77","","6648","6652","10.1021/jo3011304","","","0.71073","MoKα","","0.0924","0.043","","","0.0745","0.0835","","","","","","0.989","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027355","5.651","0.002","11.88","0.007","15.389","0.008","109.06","0.03","100.31","0.04","90.81","0.03","957.8","0.9","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H17 N5 O5 -","- C20 H17 N5 O5 -","- C40 H34 N10 O10 -","2","1","","Dane J. Clausen; Paul E. Floreancig","Aromatic Cations from Oxidative Carbon-Hydrogen Bond Cleavage in Bimolecular Carbon-Carbon Bond Forming Reactions","Journal of Organic Chemistry","2012","77","","6574","6582","10.1021/jo301185h","","","1.54178","CuKα","","0.2896","0.1007","","","0.1999","0.2759","","","","","","0.983","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027356","7.4379","0.0009","12.254","0.0015","9.8924","0.0013","90","","94.972","0.003","90","","898.24","0.19","183","","183","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 Br2 Fe N -","- C19 H19 Br2 Fe N -","- C38 H38 Br4 Fe2 N2 -","2","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0565","","","","0.1011","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027357","7.8693","0.0009","11.3517","0.0012","17.9846","0.0017","90","","90","","90","","1606.6","0.3","183","","183","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br2 Fe -","- C18 H16 Br2 Fe -","- C72 H64 Br8 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0493","","","","0.1188","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027358","10.0011","0.0005","15.0572","0.0007","22.5214","0.0012","90","","90","","90","","3391.5","0.3","183","","183","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H36 Fe P2 -","- C42 H36 Fe P2 -","- C168 H144 Fe4 P8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0463","","","","0.0748","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027359","7.4365","0.001","8.3916","0.0008","24.421","0.003","90","","90","","90","","1524","0.3","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 Br Fe -","- C18 H17 Br Fe -","- C72 H68 Br4 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0564","","","","0.1692","","","","","","1.064","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027360","9.3072","0.0011","20.213","0.003","20.551","0.003","90","","90","","90","","3866.2","0.9","203","","203","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C42 H48 Fe2 Se2 -","- C42 H34 Fe2 Se2 -","- C168 H136 Fe8 Se8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.1844","","","","0.2557","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027361","7.5254","0.0004","8.5763","0.0005","21.9048","0.001","90","","90","","90","","1413.74","0.13","183","","183","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Fe -","- C18 H18 Fe -","- C72 H72 Fe4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0277","","","","0.049","","","","","","1","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027362","7.9189","0.0016","11.749","0.003","18.368","0.004","90","","90","","90","","1708.9","0.7","123","","123","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Fe I2 -","- C18 H16 Fe I2 -","- C72 H64 Fe4 I8 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.71075","MoKα","","","0.0298","","","","0.0675","","","","","","1.076","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027363","23.305","0.018","7.753","0.011","10.364","0.008","90","","90","","90","","1873","3","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H19 Fe I2 N -","- C19 H19 Fe I2 N -","- C76 H76 Fe4 I8 N4 -","4","1","","Tatsuki Takahashi; Takashi Konno; Kenichi Ogata; Shin-ichi Fukuzawa","Stereochemistry of Substitution of the α-Dimethylamino Group by Dialkylzinc in Chiral Benzylferrocene","Journal of Organic Chemistry","2012","77","","6638","6642","10.1021/jo3012013","","","0.7107","MoKα","","","0.0465","","","","0.0472","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027364","29.1512","0.0011","10.2639","0.0007","8.9612","0.0004","90","","96.206","0.004","90","","2665.5","0.2","291","2","291.15","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C29 H22 Br2 N2 O5 -","- C29 H22 Br2 N2 O5 -","- C116 H88 Br8 N8 O20 -","4","1","","Wenguo Yang; Davin Tan; Lixin Li; Zhiqiang Han; Lin Yan; Kuo-Wei Huang; Choon-Hong Tan; Zhiyong Jiang","Direct Asymmetric Allylic Alkenylation of N-Itaconimides with Morita-Baylis-Hillman Carbonates","Journal of Organic Chemistry","2012","77","","6600","6607","10.1021/jo3012539","","","1.5418","CuKα","","0.0375","0.0358","","","0.0944","0.0967","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027365","16.4227","0.0016","18.478","0.0019","25.266","0.003","90","","103.557","0.002","90","","7453.6","1.4","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C62 H92 Cl4 N6 O3 Pd2 -","- C62 H92 Cl4 N6 O3 Pd2 -","- C248 H368 Cl16 N24 O12 Pd8 -","4","1","","Zhan-Yong Wang; Gao-Qi Chen; Li-Xiong Shao","N-Heterocyclic Carbene-Palladium(II)-1-Methylimidazole Complex-Catalyzed Suzuki-Miyaura Coupling of Aryl Sulfonates with Arylboronic Acids","Journal of Organic Chemistry","2012","77","","6608","6614","10.1021/jo301270t","","","0.71073","MoKα","","0.0704","0.0581","","","0.2081","0.2229","","","","","","1.065","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027366","13.1264","0.0016","20.83","0.003","10.1064","0.0012","90","","109.576","0.002","90","","2603.6","0.6","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","in manuscript 7b","","","- C14.5 H12 Cl N O3 -","- C14.5 H12 Cl N O3 -","- C116 H96 Cl8 N8 O24 -","8","2","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0999","0.076","","","0.187","0.2035","","","","","","1.05","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027367","14.8352","0.001","9.2601","0.0007","8.4422","0.0005","90","","105.966","0.002","90","","1115.01","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","in manuscript 8a","","","- C12 H13 N O4 -","- C12 H13 N O4 -","- C48 H52 N4 O16 -","4","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0789","0.0508","","","0.1272","0.1455","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027368","16.2661","0.0003","10.6115","0.0001","7.2249","0.0001","90","","93.381","0.001","90","","1244.9","0.03","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","in manuscript 8e","","","- C13 H15 N O5 -","- C13 H15 N O5 -","- C52 H60 N4 O20 -","4","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0545","0.0429","","","0.1096","0.1185","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027369","7.459","0.004","8.165","0.004","10.383","0.005","91.258","0.011","101.305","0.011","96.017","0.011","616.1","0.5","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C26 H30 N2 O8 -","2","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.1154","0.0763","","","0.151","0.1659","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027370","7.618","0.0018","10.819","0.003","15.469","0.004","90","","92.552","0.005","90","","1273.7","0.6","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","in manuscript 8b","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0824","0.0572","","","0.1208","0.1312","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027371","11.553","0.0002","14.4441","0.0003","18.2458","0.0003","69.634","0.001","78.432","0.001","69.941","0.001","2669.83","0.09","200","2","200","2","","","","","","","","5","P -1","-P 1","2","in manuscript 7m","","","- C12 H7 F6 N O3 -","- C12 H7 F6 N O3 -","- C96 H56 F48 N8 O24 -","8","4","","A. Stephen K. Hashmi; Maria Camila Blanco Jaimes; Andreas M. Schuster; Frank Rominger","From Propargylic Amides to Functionalized Oxazoles: Domino Gold Catalysis/Oxidation by Dioxygen","Journal of Organic Chemistry","2012","77","","6394","6408","10.1021/jo301288w","","","0.71073","MoKα","","0.0836","0.0501","","","0.1171","0.1356","","","","","","1.018","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027372","13.6482","0.0007","10.2749","0.0005","13.7082","0.0007","90","","103.145","0.001","90","","1871.98","0.16","200","2","200","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Paul A. Vadola; Ignacio Carrera; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Formation of α-Arylated Piperidines and 1,2,3,4-Tetrahydroisoquinolines via Stereoselective Intramolecular Amination of Benzylic C-H Bonds","Journal of Organic Chemistry","2012","77","","6689","6702","10.1021/jo300635m","","","0.71073","MoKα","","0.0655","0.0482","","","0.1264","0.1391","","","","","","1.035","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027373","12.8046","0.0007","10.1185","0.0005","15.2099","0.0008","90","","105.492","0.001","90","","1899.05","0.17","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N O3 S -","- C20 H25 N O3 S -","- C80 H100 N4 O12 S4 -","4","1","","Paul A. Vadola; Ignacio Carrera; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Formation of α-Arylated Piperidines and 1,2,3,4-Tetrahydroisoquinolines via Stereoselective Intramolecular Amination of Benzylic C-H Bonds","Journal of Organic Chemistry","2012","77","","6689","6702","10.1021/jo300635m","","","0.71073","MoKα","","0.0507","0.0401","","","0.109","0.1186","","","","","","1.027","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027374","27.9292","0.0015","8.1522","0.0004","19.4546","0.001","90","","92.986","0.001","90","","4423.5","0.4","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H25 N O2 S -","- C28 H25 N O2 S -","- C224 H200 N8 O16 S8 -","8","1","","Paul A. Vadola; Ignacio Carrera; Dalibor Sames","C-H Bond Functionalization via Hydride Transfer: Formation of α-Arylated Piperidines and 1,2,3,4-Tetrahydroisoquinolines via Stereoselective Intramolecular Amination of Benzylic C-H Bonds","Journal of Organic Chemistry","2012","77","","6689","6702","10.1021/jo300635m","","","0.71073","MoKα","","0.0471","0.0402","","","0.105","0.1118","","","","","","1.042","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027375","9.2838","0.0004","15.2658","0.0007","15.8794","0.0007","89.642","0.002","84.485","0.002","87.787","0.002","2238.41","0.17","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H70 Cl3 N5 O11 -","- C36 H68 Cl3 N5 O11 -","- C72 H136 Cl6 N10 O22 -","2","1","","Pedro Mateus; Rita Delgado; Patrick Groves; Sara R. R. Campos; António M. Baptista; Paula Brandão; Vítor Félix","Water Encapsulation in a Polyoxapolyaza Macrobicyclic Compound","Journal of Organic Chemistry","2012","77","","6816","6824","10.1021/jo300799s","","","0.71073","MoKα","","0.067","0.048","","","0.1407","0.172","","","","","","1.07","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027376","6.1718","0.0014","13.887","0.003","15.127","0.003","90","","90","","90","","1296.5","0.5","113","2","113","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Jia-Dai Zhai; Dongmei Li; Jing Long; Hao-Liang Zhang; Jian-Ping Lin; Chuan-Jiang Qiu; Quan Zhang; Yue Chen","Biomimetic Semisynthesis of Arglabin from Parthenolide","Journal of Organic Chemistry","2012","77","","7103","7107","10.1021/jo300888s","","","0.71073","MoKα","","0.0397","0.0316","","","0.0611","0.0629","","","","","","1.036","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027377","13.8975","0.0005","15.3683","0.0006","21.8526","0.0008","90","","90","","90","","4667.3","0.3","103","2","103","2","","","","","","","","8","P 21 21 21","P 2ac 2ab","19","","","","- C54 H52 Cl N2 O2 P Pd S -","- C54 H52 Cl N2 O2 P Pd S -","- C216 H208 Cl4 N8 O8 P4 Pd4 S4 -","4","1","","Yinhua Huang; Renta Jonathan Chew; Sumod A. Pullarkat; Yongxin Li; Pak-Hing Leung","Asymmetric Synthesis of Enaminophosphines via Palladacycle-Catalyzed Addition of Ph2PH to α,β-Unsaturated Imines","Journal of Organic Chemistry","2012","77","","6849","6854","10.1021/jo300893s","","","0.71073","MoKα","","0.0849","0.051","","","0.1101","0.1397","","","","","","1.051","","","","has coordinates,has disorder","178452","2020-10-21","18:00:00",""
"4027378","7.425","0.001","17.223","0.002","13.022","0.001","90","","96.835","0.01","90","","1653.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H14 O4 -","- C23 H14 O4 -","- C92 H56 O16 -","4","1","","Alessia Coletti; Sara Lentini; Valeria Conte; Barbara Floris; Olga Bortolini; Fabio Sforza; Fabrizia Grepioni; Pierluca Galloni","Unexpected One-Pot Synthesis of Highly Conjugated Pentacyclic Diquinoid Compounds","Journal of Organic Chemistry","2012","77","","6873","6879","10.1021/jo300985x","","","0.71073","MoKα","","0.0821","0.0382","","","0.0557","0.069","","","","","","0.897","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027379","16.6789","0.0003","9.6995","0.0002","18.7844","0.0004","90","","98.08","0.001","90","","3008.72","0.1","298","2","298","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","bis([3-(tert-butyl-diphenyl-silanyloxy)-diphenyl]-phenylmethyl)-ethynylethyne","","- C74 H66 O2 Si2 -","- C74 H66 O2 Si2 -","- C148 H132 O4 Si4 -","2","0.5","","Rafael Arcos-Ramos; Braulio Rodríguez-Molina; Margarita Romero; J. Manuel Méndez-Stivalet; María Eugenia Ochoa; Pedro I. Ramírez-Montes; Rosa Santillan; Miguel A. Garcia-Garibay; Norberto Farfán","Synthesis and Evaluation of Molecular Rotors with Large and Bulky tert-Butyldiphenylsilyloxy-Substituted Trityl Stators","Journal of Organic Chemistry","2012","77","","6887","6894","10.1021/jo301078a","","x-ray","0.71073","MoKα","","0.1465","0.0632","","","0.1354","0.1682","","","","","","1.009","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027380","14.2314","0.0012","12.007","0.0011","17.6949","0.0018","90","","95.164","0.005","90","","3011.4","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl-[3-(1,1-diphenyl-prop-2-ynyl)-phenoxy]-diphenyl-silane","","- C37 H34 O Si -","- C37 H34 O Si -","- C148 H136 O4 Si4 -","4","1","","Rafael Arcos-Ramos; Braulio Rodríguez-Molina; Margarita Romero; J. Manuel Méndez-Stivalet; María Eugenia Ochoa; Pedro I. Ramírez-Montes; Rosa Santillan; Miguel A. Garcia-Garibay; Norberto Farfán","Synthesis and Evaluation of Molecular Rotors with Large and Bulky tert-Butyldiphenylsilyloxy-Substituted Trityl Stators","Journal of Organic Chemistry","2012","77","","6887","6894","10.1021/jo301078a","","x-ray","0.71073","MoKα","","0.2523","0.0832","","","0.1394","0.1857","","","","","","0.977","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027381","13.0434","0.0003","14.8934","0.0007","16.8459","0.0008","71.822","0.001","74.263","0.003","71.997","0.003","2901.1","0.2","171","2","171","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","Bis(tris-[3-(tert-butyl-diphenyl-silanyloxy)-diphenyl]-phenylmethyl) -ethynylethyne","","- C138 H138 O6 Si6 -","- C138 H138 O6 Si6 -","- C138 H138 O6 Si6 -","1","0.5","","Rafael Arcos-Ramos; Braulio Rodríguez-Molina; Margarita Romero; J. Manuel Méndez-Stivalet; María Eugenia Ochoa; Pedro I. Ramírez-Montes; Rosa Santillan; Miguel A. Garcia-Garibay; Norberto Farfán","Synthesis and Evaluation of Molecular Rotors with Large and Bulky tert-Butyldiphenylsilyloxy-Substituted Trityl Stators","Journal of Organic Chemistry","2012","77","","6887","6894","10.1021/jo301078a","","x-ray","0.71073","MoKα","","0.1578","0.08","","","0.1468","0.1795","","","","","","1.014","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027382","16.6075","0.0012","15.5958","0.0011","9.3671","0.0007","90","","105.497","0.002","90","","2337.9","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C24 H20 Br F3 N2 O4 -","- C24 H20 Br F3 N2 O4 -","- C96 H80 Br4 F12 N8 O16 -","4","1","","James C. Anderson; Adam Noble; Derek A. Tocher","Reductive Nitro-Mannich Route for the Synthesis of 1,2-Diamine Containing Indolines and Tetrahydroquinolines","Journal of Organic Chemistry","2012","77","","6703","6727","10.1021/jo3010827","","","0.71073","MoKα","","0.0665","0.0487","","","0.126","0.134","","","","","","1.03","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027383","14.066","0.002","8.7343","0.0013","18.513","0.003","90","","93.425","0.002","90","","2270.4","0.6","150","2","150","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C22 H18 Br F3 N2 O4 S -","- C22 H17 Br F3 N2 O4 S -","- C88 H68 Br4 F12 N8 O16 S4 -","4","1","","James C. Anderson; Adam Noble; Derek A. Tocher","Reductive Nitro-Mannich Route for the Synthesis of 1,2-Diamine Containing Indolines and Tetrahydroquinolines","Journal of Organic Chemistry","2012","77","","6703","6727","10.1021/jo3010827","","","0.71073","MoKα","","0.0637","0.0509","","","0.1363","0.1469","","","","","","1.024","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027384","9.6156","0.0018","10.448","0.002","12.197","0.002","86.817","0.003","74.115","0.003","62.824","0.003","1045","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H29 Br N2 O2 -","- C22 H29 Br N2 O2 -","- C44 H58 Br2 N4 O4 -","2","1","","James C. Anderson; Adam Noble; Derek A. Tocher","Reductive Nitro-Mannich Route for the Synthesis of 1,2-Diamine Containing Indolines and Tetrahydroquinolines","Journal of Organic Chemistry","2012","77","","6703","6727","10.1021/jo3010827","","","0.71073","MoKα","","0.0798","0.0646","","","0.1738","0.1899","","","","","","1.069","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027385","6.0736","0.0002","9.8371","0.0004","24.153","0.0011","80.949","0.003","86.31","0.002","78.412","0.002","1395.24","0.1","103","2","103","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H24 Br2 O2 -","- C37 H24 Br2 O2 -","- C74 H48 Br4 O4 -","2","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.0773","0.0393","","","0.0663","0.09","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027386","8.9009","0.0008","17.725","0.0017","28.318","0.003","90","","90","","90","","4467.7","0.8","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C31 H22 O2 -","- C31 H22 O2 -","- C248 H176 O16 -","8","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.1487","0.0673","","","0.1623","0.198","","","","","","0.943","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027387","11.8795","0.0011","15.5465","0.0014","13.6599","0.0011","90","","111.548","0.002","90","","2346.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C32 H24 O2 -","- C32 H24 O2 -","- C128 H96 O8 -","4","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.1169","0.0533","","","0.1275","0.1802","","","","","","0.989","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027388","27.0519","0.0005","14.3057","0.0003","18.1255","0.0006","90","","131.33","0.001","90","","5267.3","0.2","153","2","153","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C35 H30 O2 -","- C35 H30 O2 -","- C280 H240 O16 -","8","1","","Srinivasa Reddy Mothe; Sherman Jun Liang Lauw; Prasath Kothandaraman; Philip Wai Hong Chan","Brønsted Acid-Catalyzed Cycloisomerization of But-2-yne-1,4-diols with or without 1,3-Dicarbonyl Compounds to Tri- and Tetrasubstituted Furans","Journal of Organic Chemistry","2012","77","","6937","6947","10.1021/jo301093f","","","0.71073","MoKα","","0.0824","0.0502","","","0.1355","0.1657","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027389","9.308","0.0007","12.27","0.0009","31.682","0.002","90","","90","","90","","3618.4","0.4","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H39 N5 O9 S -","- C32 H39 N5 O9 S -","- C128 H156 N20 O36 S4 -","4","1","","Benito Alcaide; Pedro Almendros; Cristina Aragoncillo; Ricardo Callejo; M. Pilar Ruiz; M. Rosario Torres","Regio- and Diastereoselective Synthesis of β-Lactam-Triazole Hybrids via Passerini/CuAAC Sequence","Journal of Organic Chemistry","2012","77","","6917","6928","10.1021/jo301113g","","","0.71073","MoKα","","0.1424","0.0415","","","0.0678","0.0832","","","","","","0.989","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027390","11.279","0.0003","13.8867","0.0004","14.0971","0.0004","90","","95.564","0.003","90","","2197.6","0.11","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H24 N O5 P -","- C24 H24 N O5 P -","- C96 H96 N4 O20 P4 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0618","0.0454","","","0.1137","0.1234","","","","","","1.043","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027391","13.8122","0.0006","13.1379","0.0004","11.7893","0.0006","90","","112.165","0.006","90","","1981.23","0.17","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N O5 P -","- C20 H24 N O5 P -","- C80 H96 N4 O20 P4 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0594","0.0416","","","0.0952","0.1045","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027392","7.1222","0.0009","17.729","0.002","16.957","0.002","90","","93.189","0.003","90","","2137.8","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N O5 P -","- C23 H28 N O5 P -","- C92 H112 N4 O20 P4 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.1811","0.1215","","","0.1844","0.2058","","","","","","1.21","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027393","13.362","0.003","13.883","0.003","7.8491","0.0017","90","","103.842","0.003","90","","1413.8","0.5","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H15 N O4 -","- C16 H15 N O4 -","- C64 H60 N4 O16 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0586","0.0501","","","0.1283","0.1351","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027394","9.1437","0.0008","9.3147","0.0007","12.7844","0.0016","92.975","0.008","95.65","0.009","91.661","0.006","1081.47","0.19","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 Cl3 N O4 S -","- C21 H18 Cl3 N O4 S -","- C42 H36 Cl6 N2 O8 S2 -","2","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.0787","0.0536","","","0.1375","0.1581","","","","","","1.063","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027395","13.0768","0.0016","16.069","0.002","8.6435","0.0009","90","","105.021","0.013","90","","1754.2","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H19 N O3 -","- C21 H19 N O3 -","- C84 H76 N4 O12 -","4","1","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.2069","0.0583","","","0.101","0.1276","","","","","","0.783","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027396","24.956","0.005","8.9926","0.0008","16.635","0.003","90","","129.57","0.03","90","","2877.7","1.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C38 H30 N2 O4 -","- C38 H30 N2 O4 -","- C152 H120 N8 O16 -","4","0.5","","R. Rama Suresh; K. C. Kumara Swamy","Palladium-Catalyzed Annulation of Allenes with Indole-2-carboxylic Acid Derivatives: Synthesis of Indolo[2,3-c]pyrane-1-ones via Ar-I Reactivity or C-H Functionalization","Journal of Organic Chemistry","2012","77","","6959","6969","10.1021/jo301149s","","","0.71073","MoKα","","0.1027","0.0566","","","0.1024","0.1302","","","","","","1.044","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027397","9.1473","0.0001","22.6768","0.0002","10.6126","0.0001","90","","114.247","0.001","90","","2007.19","0.04","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O4 -","- C23 H22 N2 O4 -","- C92 H88 N8 O16 -","4","2","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0285","0.0281","","","0.0748","0.0752","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027398","7.4794","0.0004","5.8669","0.0003","21.0058","0.0013","90","","95.322","0.005","90","","917.78","0.09","291","2","291","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H20 N2 O2 -","- C23 H20 N2 O2 -","- C46 H40 N4 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0496","0.0404","","","0.0973","0.1052","","","","","","1.072","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027399","7.5942","0.0004","5.8783","0.0003","20.3254","0.0009","90","","93.956","0.004","90","","905.18","0.08","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl N O2 -","- C22 H20 Cl N O2 -","- C44 H40 Cl2 N2 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.062","0.046","","","0.1099","0.1239","","","","","","1.037","","","","has coordinates","178452","2020-10-21","18:00:00",""
"4027400","7.6626","0.0002","5.8192","0.0003","21.5776","0.0008","90","","93.278","0.003","90","","960.58","0.07","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H20 F3 N O2 -","- C23 H20 F3 N O2 -","- C46 H40 F6 N2 O4 -","2","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0706","0.0661","","","0.1557","0.1589","","","","","","1.049","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027401","9.5228","0.0001","9.7155","0.0001","22.5964","0.0003","90","","90","","90","","2090.59","0.04","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.0321","0.0306","","","0.0789","0.0805","","","","","","1.063","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027402","10.5822","0.0006","13.911","0.0011","14.6147","0.0011","90","","90","","90","","2151.4","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H23 Cl2 N O3 -","- C24 H23 Cl2 N O3 -","- C96 H92 Cl8 N4 O12 -","4","1","","Feng Shi; Gui-Juan Xing; Zhong-Lin Tao; Shi-Wei Luo; Shu-Jiang Tu; Liu-Zhu Gong","An Asymmetric Organocatalytic Povarov Reaction with 2-Hydroxystyrenes","Journal of Organic Chemistry","2012","77","","6970","6979","10.1021/jo301174g","","","1.54184","CuKα","","0.094","0.0625","","","0.1281","0.1669","","","","","","1.072","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027403","15.882","0.0016","9.5654","0.0007","11.5424","0.0012","90","","132.73","0.1","90","","1288","2","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C12 H8 Br4 -","- C12 H8 Br4 -","- C48 H32 Br16 -","4","0.5","","Bichismitha Sahu; Guddeangadi N. Gururaja; Tarun Kumar; Anamitra Chatterjee; Bishwajit Ganguly; Shaikh M. Mobin; Irishi N. N. Namboothiri","Generation and Trapping of a Cage Annulated Vinylidenecarbene and Approaches to Its Cycloalkyne Isomer","Journal of Organic Chemistry","2012","77","","6998","7004","10.1021/jo301215d","","","0.7093","MoKα","","0.1072","0.077","","","0.1878","0.2069","","","","","","1.143","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027404","7.2921","0.0004","7.3234","0.0004","9.7967","0.0006","102.695","0.003","94.987","0.003","109.832","0.002","472.62","0.05","150","","150","","","","","","","","","5","P 1","P 1","1","","","","- C19 H31 Cl N2 O -","- C19 H31 Cl N2 O -","- C19 H31 Cl N2 O -","1","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","0.71073","MoKα","","0.0319","0.0305","","0.074","0.0728","0.074","","","","","","0.9999","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027405","6.0474","0.0002","6.8974","0.0002","13.9812","0.0004","90","","96.696","0.003","90","","579.2","0.03","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H18 N2 O -","- C13 H18 N2 O -","- C26 H36 N4 O2 -","2","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","1.5418","CuKα","","0.0351","0.0329","","0.0882","0.0845","0.0869","","","","","","1.0018","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027406","6.0224","0.0003","6.8706","0.0003","15.3642","0.0006","90","","93.565","0.002","90","","634.5","0.05","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C28 H40 N4 O4 -","2","1","","Stephen G. Davies; James A. Lee; Paul M. Roberts; Jeffrey P. Stonehouse; James E. Thomson","Asymmetric Syntheses of the Homalium Alkaloids (-)-(S,S)-Homaline and (-)-(R,R)-Hopromine","Journal of Organic Chemistry","2012","77","","7028","7045","10.1021/jo3012732","","","0.71073","MoKα","","0.0582","0.043","","0.1052","0.0971","0.1052","","","","","","0.9669","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027407","14.4974","0.0006","15.9362","0.0007","12.8494","0.0005","90","","111.3","0.003","90","","2765.9","0.2","295","2","295","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C30 H37 B O2 -","- C30 H37 B O2 -","- C120 H148 B4 O8 -","4","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.1525","0.0782","","","0.2032","0.2416","","","","","","1.226","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027408","6.9096","0.0005","28.792","0.002","16.0491","0.0012","90","","99.82","0.004","90","","3146","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 F6 -","- C37 H32 F6 -","- C148 H128 F24 -","4","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.1922","0.0676","","","0.1807","0.2505","","","","","","1.002","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027409","10.2047","0.0002","12.2407","0.0002","13.1535","0.0003","90","","101.253","0.001","90","","1611.45","0.06","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H43 B3 O6 -","- C34 H43 B3 O6 -","- C68 H86 B6 O12 -","2","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.0826","0.0763","","","0.1862","0.1911","","","","","","1.043","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027410","6.459","0.005","15.98","0.012","24.291","0.019","90","","95.458","0.011","90","","2496","3","296","2","296","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","2,4,7-tri-tolyl-pyrene","","","- C37 H28 -","- C37 H28 -","- C148 H112 -","4","1","","Zhiqiang Liu; Yuanyuan Wang; Ying Chen; Jie Liu; Qi Fang; Christian Kleeberg; Todd B. Marder","Ir-Catalyzed Direct Borylation at the 4-Position of Pyrene","Journal of Organic Chemistry","2012","77","","7124","7128","10.1021/jo301293w","","","0.71073","MoKα","","0.1256","0.0596","","","0.1478","0.1912","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027411","20.9783","0.001","7.8705","0.0004","11.662","0.0005","90","","91.72","","90","","1924.64","0.16","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Br N O3 S -","- C20 H22 Br N O3 S -","- C80 H88 Br4 N4 O12 S4 -","4","1","","Andrew J. Clark; Alana E. C. Collis; David J. Fox; Lauren L. Halliwell; Natalie James; Rachel K. O'Reilly; Hemal Parekh; Andrew Ross; Andrew B. Sellars; Helen Willcock; Paul Wilson","Atom-Transfer Cyclization with CuSO4/KBH4: A Formal ""Activators Generated by Electron Transfer"" Process Also Applicable to Atom-Transfer Polymerization","Journal of Organic Chemistry","2012","77","","6778","6788","10.1021/jo301429a","","","0.71073","MoKα","","0.0933","0.0606","","","0.1395","0.1547","","","","","","1.023","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027412","24.6918","0.0003","13.08924","0.00015","29.3558","0.0004","90","","90.7654","0.0011","90","","9486.9","0.2","120.01","0.1","120.01","0.1","","","","","","","","7","C 1 c 1","C -2yc","9","","","","- C46 H59 Au2 F6 P2 S Sb -","- C46 H59 Au2 F6 P2 S Sb -","- C368 H472 Au16 F48 P16 S8 Sb8 -","8","2","","Richard J. Mudd; Paul C. Young; James A. Jordan-Hore; Georgina M. Rosair; Ai-Lan Lee","Gold(I)-Catalyzed Addition of Thiols and Thioacids to 3,3-Disubstituted Cyclopropenes","Journal of Organic Chemistry","2012","77","","7633","7639","10.1021/jo300930c","","","1.5418","CuKα","","0.0315","0.0313","","","0.0819","0.082","","","","","","1.041","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027413","9.3522","0.0017","6.0075","0.0011","12.278","0.002","90","","98.837","0.003","90","","681.6","0.2","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H15 Br N2 O -","- C14 H15 Br N2 O -","- C28 H30 Br2 N4 O2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0315","0.0259","","","0.0551","0.0568","","","","","","0.993","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027414","9.8613","0.0003","16.2226","0.0005","17.3882","0.0005","90","","98.704","0.001","90","","2749.66","0.14","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H29 Br N2 O -","- C33 H29 Br N2 O -","- C132 H116 Br4 N8 O4 -","4","2","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0242","0.024","","","0.0625","0.0627","","","","","","1.041","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027415","9.3871","0.0004","10.3132","0.0005","28.3675","0.0013","90","","90","","90","","2746.3","0.2","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H29 Br N2 O -","- C33 H29 Br N2 O -","- C132 H116 Br4 N8 O4 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0288","0.0257","","","0.0611","0.0623","","","","","","1.023","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027416","7.4228","0.0001","7.4246","0.0001","13.3468","0.0002","82.911","0.001","89.498","0.001","77.18","0.001","711.609","0.018","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H18 Br Cl N2 -","- C14 H18 Br Cl N2 -","- C28 H36 Br2 Cl2 N4 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0228","0.0221","","","0.057","0.0576","","","","","","1.092","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027417","5.562","0.0002","7.5197","0.0002","31.5189","0.001","90","","90","","90","","1318.26","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O -","- C15 H22 N2 O -","- C60 H88 N8 O4 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0321","0.032","","","0.0811","0.0812","","","","","","1.079","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027418","9.1778","0.0005","11.4057","0.0007","16.8718","0.001","90","","99.864","0.001","90","","1740.02","0.18","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H36 Br N3 O5 S -","- C40 H36 Br N3 O5 S -","- C80 H72 Br2 N6 O10 S2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0217","0.0202","","","0.0514","0.052","","","","","","1.024","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027419","10.001","0.0002","12.0602","0.0002","23.3614","0.0004","90","","90","","90","","2817.71","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H31 Br N2 O2 -","- C34 H31 Br N2 O2 -","- C136 H124 Br4 N8 O8 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0217","0.0215","","","0.0572","0.0574","","","","","","1.075","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027420","11.1883","0.0006","6.6495","0.0004","14.707","0.0008","90","","100.137","0.001","90","","1077.07","0.1","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H22 Br N3 O5 S -","- C21 H22 Br N3 O5 S -","- C42 H44 Br2 N6 O10 S2 -","2","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.025","0.0234","","","0.0575","0.0583","","","","","","1.039","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027421","19.8216","0.0016","8.806","0.0007","18.8374","0.0016","90","","94.835","0.001","90","","3276.3","0.5","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C39 H35 N3 O5 S -","- C39 H35 N3 O5 S -","- C156 H140 N12 O20 S4 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","0.71073","MoKα","","0.0498","0.0406","","","0.1032","0.1112","","","","","","1.032","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027422","6.9421","0.0002","13.605","0.0003","15.4899","0.0004","90","","90","","90","","1462.98","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H22 N2 O2 -","- C16 H22 N2 O2 -","- C64 H88 N8 O8 -","4","1","","Jason T. Lowe; Maurice D. Lee; Lakshmi B. Akella; Emeline Davoine; Etienne J. Donckele; Landon Durak; Jeremy R. Duvall; Baudouin Gerard; Edward B. Holson; Adrien Joliton; Sarathy Kesavan; Berenice C. Lemercier; Haibo Liu; Jean-Charles Marié; Carol A. Mulrooney; Giovanni Muncipinto; Morgan Welzel-O'Shea; Laura M. Panko; Ann Rowley; Byung-Chul Suh; Meryl Thomas; Florence F. Wagner; Jingqiang Wei; Michael A. Foley; Lisa A. Marcaurelle","Synthesis and Profiling of a Diverse Collection of Azetidine-Based Scaffolds for the Development of CNS-Focused Lead-like Libraries","Journal of Organic Chemistry","2012","77","","7187","7211","10.1021/jo300974j","","","1.54178","CuKα","","0.0333","0.0325","","","0.083","0.0844","","","","","","1.037","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027423","11.203","","15.093","","27.684","","90","","90","","90","","4681","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C91 H19 N O -","- C91 H19 N O -","- C364 H76 N4 O4 -","4","1","","Ling Ni; Wei-Wei Yang; Zong-Jun Li; Di Wu; Xiang Gao","Regioselective Oxazolination of C702- and Formation of cis-1 C70 Adduct with Respect to the Apical Pentagon","Journal of Organic Chemistry","2012","77","","7299","7306","10.1021/jo301017a","","","0.71073","MoKα","","0.0865","0.0578","","","0.1136","0.1279","","","","","","0.954","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027424","13.8598","0.0007","11.5756","0.0007","23.3102","0.0012","90","","90","","90","","3739.8","0.4","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C H Cl N O -","- C2.13333 H1.70667 Cl0.213333 N0.213333 O0.213333 -","- C160 H128 Cl16 N16 O16 -","75","18.75","","Zhiguo Zhang; Shiliang Fang; Qingfeng Liu; Guisheng Zhang","Approach to Polysubstituted 4-Pyridones from N-Aryl Acetoacetamides via a N to C1,3-Acyl Migration Mediated by Sodium Persulfate","Journal of Organic Chemistry","2012","77","","7665","7670","10.1021/jo3010217","","","0.71073","MoKα","","0.1029","0.0502","","","0.0923","0.1111","","","","","","1.009","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027425","8.6034","0.0001","8.8273","0.0001","29.7562","0.0003","90","","92.384","0.001","90","","2257.87","0.04","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Bis(tetramethylammonium) Methylbutenoate-2-hydroxylate-3-diazeniumdiolate trihydrate methanolate","","- C14 H40 N4 O9 -","- C14 H40 N4 O9 -","- C56 H160 N16 O36 -","4","1","","Navamoney Arulsamy; D. Scott Bohle; Carla L. Holman; Inna Perepichka","E versus Z Diazeniumdiolation of Acetoacetate-Derived Carbanions","Journal of Organic Chemistry","2012","77","","7313","7318","10.1021/jo301025k","","","0.71073","MoKα","","0.0801","0.0462","","","0.1129","0.1248","","","","","","0.926","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027426","7.96","0.0005","13.3679","0.0008","7.1314","0.0005","90","","110.789","0.001","90","","709.44","0.08","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C2 H4 K2 N2 O5 -","- C2 H4 K2 N2 O5 -","- C8 H16 K8 N8 O20 -","4","1","","Navamoney Arulsamy; D. Scott Bohle; Carla L. Holman; Inna Perepichka","E versus Z Diazeniumdiolation of Acetoacetate-Derived Carbanions","Journal of Organic Chemistry","2012","77","","7313","7318","10.1021/jo301025k","","","0.71073","MoKα","","0.0182","0.0169","","","0.0432","0.0438","","","","","","1.052","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027427","8.5716","0.0002","13.3306","0.0004","11.4902","0.0004","90","","99.517","0.002","90","","1294.85","0.07","125","2","125","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C4 H3 K N2 O4 -","- C4 H3 K N2 O4 -","- C32 H24 K8 N16 O32 -","8","1","","Navamoney Arulsamy; D. Scott Bohle; Carla L. Holman; Inna Perepichka","E versus Z Diazeniumdiolation of Acetoacetate-Derived Carbanions","Journal of Organic Chemistry","2012","77","","7313","7318","10.1021/jo301025k","","","0.71073","MoKα","","0.0354","0.0301","","","0.0868","0.0899","","","","","","1.052","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027428","6.45626","0.0001","19.1","0.0003","10.28008","0.00018","90","","93.5342","0.0016","90","","1265.27","0.04","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H19 N O3 -","- C15 H19 N O3 -","- C60 H76 N4 O12 -","4","1","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","1.54184","CuKα","","0.0417","0.0392","","0.0992","0.0964","0.0992","","","","","","0.9573","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027429","18.217","0.0003","11.5367","0.0003","18.8611","0.0004","90","","118.595","0.0013","90","","3480.43","0.14","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Cl3 N O3 -","- C16 H20 Cl3 N O3 -","- C128 H160 Cl24 N8 O24 -","8","2","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","0.71073","MoKα","","0.0754","0.0525","","0.0729","0.0554","0.0527","","","","","","1.1169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027430","9.9494","0.0002","12.344","0.0002","16.4318","0.0003","90","","98.2484","0.0008","90","","1997.2","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H27 N O4 S -","- C21 H27 N O4 S -","- C84 H108 N4 O16 S4 -","4","1","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","0.71073","MoKα","","0.0744","0.0439","","0.0803","0.044","0.0414","","","","","","1.1342","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027431","14.8991","0.0004","5.5973","0.0002","18.9178","0.0006","90","","108.126","0.0016","90","","1499.35","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H23 N O3 -","- C16 H23 N O3 -","- C64 H92 N4 O12 -","4","1","","Méabh B. Brennan; Timothy D. W. Claridge; Richard G. Compton; Stephen G. Davies; Ai M. Fletcher; Martin C. Henstridge; David S. Hewings; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Anne K. Schoonen; James E. Thomson","Ammonium-Directed Olefinic Epoxidation: Kinetic and Mechanistic Insights","Journal of Organic Chemistry","2012","77","","7241","7261","10.1021/jo3010556","","","0.71073","MoKα","","0.0901","0.0479","","0.0858","0.0465","0.043","","","","","","1.1383","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027432","5.6912","0.0001","11.144","0.0003","12.9653","0.0004","85.9331","0.0012","84.5582","0.0012","87.1641","0.0016","815.77","0.04","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C40 H48 F2 N2 O2 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0816","0.048","","0.083","0.0493","0.046","","","","","","1.1348","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027433","6.5113","0.0001","14.8776","0.0002","35.9265","0.0006","90","","95.0616","0.0006","90","","3466.72","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H24 F N O -","- C20 H24 F N O -","- C160 H192 F8 N8 O8 -","8","2","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0841","0.0457","","0.106","0.0927","0.106","","","","","","0.9597","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027434","7.2525","0.0002","10.3974","0.0003","16.8918","0.0006","90","","90","","90","","1273.76","0.07","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C14 H20 F N O -","- C14 H20 F N O -","- C56 H80 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0699","0.0523","","0.1357","0.1286","0.1357","","","","","","0.9633","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027435","15.0623","0.0003","9.4128","0.0002","17.4909","0.0004","90","","110.578","0.0009","90","","2321.6","0.09","150","","150","","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 B Cl3 F5 N O -","- C20 H24 B Cl3 F5 N O -","- C80 H96 B4 Cl12 F20 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0886","0.07","","0.1855","0.1724","0.1855","","","","","","1.0157","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027436","9.8827","0.0002","15.4422","0.0003","12.2289","0.0003","90","","108.235","0.0009","90","","1772.54","0.07","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H26 F N O -","- C21 H26 F N O -","- C84 H104 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0494","0.0365","","0.0903","0.085","0.0903","","","","","","0.9613","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027437","6.0856","0.0001","17.563","0.0004","14.1524","0.0003","90","","101.753","0.001","90","","1480.92","0.05","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0413","0.0356","","0.0827","0.0805","0.0827","","","","","","1","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027438","12.5153","0.0004","5.484","0.0002","17.6551","0.0005","90","","103.719","0.0013","90","","1177.17","0.07","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 F N O -","- C13 H18 F N O -","- C52 H72 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0499","0.0413","","0.103","0.0986","0.103","","","","","","0.994","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027439","8.0438","0.0002","10.6147","0.0002","14.3517","0.0003","79.2464","0.001","84.2125","0.001","87.7064","0.0008","1197.45","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C54 H58 F2 N4 O8 -","2","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0447","0.037","","0.0946","0.0898","0.0946","","","","","","0.9809","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027440","11.27558","0.00011","17.01873","0.00018","20.3064","0.0002","90","","90","","90","","3896.72","0.07","150","","150","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H26 F N O -","- C24 H26 F N O -","- C192 H208 F8 N8 O8 -","8","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","1.54184","CuKα","","0.0442","0.0372","","0.0967","0.0907","0.0967","","","","","","0.9959","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027441","8.5321","0.0001","15.4179","0.0002","18.4954","0.0003","90","","97.311","0.0007","90","","2413.24","0.06","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 F N2 O4 -","- C27 H29 F N2 O4 -","- C108 H116 F4 N8 O16 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0547","0.042","","0.0995","0.0929","0.0995","","","","","","0.9927","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027442","10.1973","0.0002","8.2488","0.0001","24.7522","0.0005","90","","96.244","0.0006","90","","2069.69","0.06","150","","150","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C25 H28 F N O -","- C25 H28 F N O -","- C100 H112 F4 N4 O4 -","4","1","","Alexander J. Cresswell; Stephen G. Davies; James A. Lee; Melloney J. Morris; Paul M. Roberts; James E. Thomson","Diastereodivergent Hydroxyfluorination of Cyclic and Acyclic Allylic Amines: Synthesis of 4-Deoxy-4-fluorophytosphingosines","Journal of Organic Chemistry","2012","77","","7262","7281","10.1021/jo301056r","","","0.71073","MoKα","","0.0639","0.0437","","0.1135","0.1042","0.1135","","","","","","0.9457","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027443","9.834","0.003","21.975","0.006","10.063","0.003","90","","101.023","0.005","90","","2134.5","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O7 -","- C23 H29 N O7 -","- C92 H116 N4 O28 -","4","1","","Jiayue Cui; David I. Chai; Christopher Miller; Jason Hao; Christopher Thomas; JingQi Wang; Karl A. Scheidt; Sergey A. Kozmin","Assembly of Four Diverse Heterocyclic Libraries Enabled by Prins Cyclization, Au-Catalyzed Enyne Cycloisomerization, and Automated Amide Synthesis","Journal of Organic Chemistry","2012","77","","7435","7470","10.1021/jo301061r","","","0.71073","MoKα","","0.0982","0.0538","","","0.1014","0.114","","","","","","0.802","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027444","9.157","0.004","11.436","0.005","11.83","0.005","111.732","0.008","92.678","0.007","111.409","0.008","1047.4","0.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H23 N O5 -","- C22 H23 N O5 -","- C44 H46 N2 O10 -","2","1","","Jiayue Cui; David I. Chai; Christopher Miller; Jason Hao; Christopher Thomas; JingQi Wang; Karl A. Scheidt; Sergey A. Kozmin","Assembly of Four Diverse Heterocyclic Libraries Enabled by Prins Cyclization, Au-Catalyzed Enyne Cycloisomerization, and Automated Amide Synthesis","Journal of Organic Chemistry","2012","77","","7435","7470","10.1021/jo301061r","","","0.71073","MoKα","","0.1081","0.0607","","","0.1243","0.1349","","","","","","0.801","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027445","10.503","0.003","12.281","0.003","11.173","0.003","90","","100.114","0.005","90","","1418.8","0.7","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H21 N O5 -","- C16 H21 N O5 -","- C64 H84 N4 O20 -","4","1","","Jiayue Cui; David I. Chai; Christopher Miller; Jason Hao; Christopher Thomas; JingQi Wang; Karl A. Scheidt; Sergey A. Kozmin","Assembly of Four Diverse Heterocyclic Libraries Enabled by Prins Cyclization, Au-Catalyzed Enyne Cycloisomerization, and Automated Amide Synthesis","Journal of Organic Chemistry","2012","77","","7435","7470","10.1021/jo301061r","","","0.71073","MoKα","","0.114","0.0568","","","0.0905","0.1034","","","","","","0.745","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027446","10.897","0.003","16.638","0.004","12.533","0.003","90","","91.566","0.005","90","","2271.4","1","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","frows01","","","- C28 H26 O6 -","- C28 H26 O6 -","- C112 H104 O24 -","4","1","","William T. Spencer; Alison J. Frontier","Cycloaromatization Protocol for Synthesis of Polysubstituted Phenol Derivatives: Method Development and Mechanistic Studies","Journal of Organic Chemistry","2012","77","","7730","7736","10.1021/jo3010952","","","0.71073","MoKα","","0.0959","0.0522","","","0.1251","0.1472","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027447","11.1006","0.0018","15.181","0.002","7.5819","0.0012","90","","90.084","0.003","90","","1277.7","0.3","100","0.5","100","0.5","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","frows03","","","- C16 H13 D5 O -","- C16 H13 D5 O -","- C64 H52 D20 O4 -","4","1","","William T. Spencer; Alison J. Frontier","Cycloaromatization Protocol for Synthesis of Polysubstituted Phenol Derivatives: Method Development and Mechanistic Studies","Journal of Organic Chemistry","2012","77","","7730","7736","10.1021/jo3010952","","","0.71073","MoKα","","0.1003","0.067","","","0.1677","0.1898","","","","","","1.037","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027448","13.724","0.006","7.874","0.004","7.137","0.003","90","","90","","90","","771.2","0.6","296","2","296","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C9 H7 N O2 -","- C9 H7 N O2 -","- C36 H28 N4 O8 -","4","1","","Xi-Ai Gao; Ru-Long Yan; Xian-Xue Wang; Hao Yan; Jian Li; Han Guo; Guo-Sheng Huang","Pd(II)-Catalyzed Synthesis of Benzisoxazolones from Benzohydroxamic Acids via C-H Activation","Journal of Organic Chemistry","2012","77","","7700","7705","10.1021/jo301180k","","","0.71073","MoKα","","0.0526","0.0394","","","0.092","0.0999","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027449","10.321","0.003","10.321","0.003","57.75","0.02","90","","90","","90","","6152","3","296","2","296","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C31 H28 N3 O2 -","- C31 H28 N3 O2 -","- C248 H224 N24 O16 -","8","1","","Hai-Liang Zhu; Jun-Bing Ling; Peng-Fei Xu","α-Oxo-γ-Butyrolactam, N-Containing Pronucleophile in Organocatalytic One-Pot Assembly of Butyrolactam-Fused Indoloquinolizidines","Journal of Organic Chemistry","2012","77","","7737","7743","10.1021/jo301192d","","","0.71073","MoKα","","0.2026","0.1402","","","0.34","0.3851","","","","","","1.035","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027450","11.822","0.003","15.382","0.003","28.246","0.007","90","","90","","90","","5136","2","296","2","296","2","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C28 H26 Cl3 N3 O -","- C28 H26 Cl3 N3 O -","- C224 H208 Cl24 N24 O8 -","8","1","","Hai-Liang Zhu; Jun-Bing Ling; Peng-Fei Xu","α-Oxo-γ-Butyrolactam, N-Containing Pronucleophile in Organocatalytic One-Pot Assembly of Butyrolactam-Fused Indoloquinolizidines","Journal of Organic Chemistry","2012","77","","7737","7743","10.1021/jo301192d","","","0.71073","MoKα","","0.0825","0.0472","","","0.1071","0.1243","","","","","","1.062","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027451","10.2734","0.0003","17.7404","0.0004","14.016","0.0003","90","","129.904","0.001","90","","1959.59","0.09","103","2","103","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 I N O3 S -","- C22 H18 I N O3 S -","- C88 H72 I4 N4 O12 S4 -","4","1","","Dewi Susanti; Fujiet Koh; Jeffrey Antonius Kusuma; Prasath Kothandaraman; Philip Wai Hong Chan","Silver Acetate Catalyzed Hydroamination of 1-(2-(Sulfonylamino)phenyl)prop-2-yn-1-ols to (Z)-2-Methylene-1-sulfonylindolin-3-ols","Journal of Organic Chemistry","2012","77","","7166","7175","10.1021/jo301198z","","","0.71073","MoKα","","0.0287","0.023","","","0.0515","0.0532","","","","","","1.046","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027452","19.4403","0.0016","7.8778","0.0007","23.408","0.002","90","","90","","90","","3584.9","0.5","103","2","103","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C22 H18 F N O2 S -","- C22 H18 F N O2 S -","- C176 H144 F8 N8 O16 S8 -","8","1","","Dewi Susanti; Fujiet Koh; Jeffrey Antonius Kusuma; Prasath Kothandaraman; Philip Wai Hong Chan","Silver Acetate Catalyzed Hydroamination of 1-(2-(Sulfonylamino)phenyl)prop-2-yn-1-ols to (Z)-2-Methylene-1-sulfonylindolin-3-ols","Journal of Organic Chemistry","2012","77","","7166","7175","10.1021/jo301198z","","","0.71073","MoKα","","0.0869","0.0455","","","0.1165","0.1555","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027453","12.13","0.003","19.101","0.005","14.668","0.004","90","","99.951","0.003","90","","3347.4","1.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C78 H46 O2 -","- C78 H46 O2 -","- C156 H92 O4 -","2","0.5","","Edgar Escalante-Sánchez; Braulio Rodríguez-Molina; Miguel A. Garcia-Garibay","Toward Crystalline Molecular Rotors with Linearly Conjugated Diethynyl-Phenylene Rotators and Pentiptycene Stators","Journal of Organic Chemistry","2012","77","","7428","7434","10.1021/jo301223q","","","0.71073","MoKα","","0.0833","0.0696","","","0.213","0.2259","","","","","","1.059","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027454","9.5315","0.001","21.487","0.002","17.0652","0.0019","90","","101.999","0.001","90","","3418.6","0.6","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C82 H50 O4 -","- C82 H50 O4 -","- C164 H100 O8 -","2","0.5","","Edgar Escalante-Sánchez; Braulio Rodríguez-Molina; Miguel A. Garcia-Garibay","Toward Crystalline Molecular Rotors with Linearly Conjugated Diethynyl-Phenylene Rotators and Pentiptycene Stators","Journal of Organic Chemistry","2012","77","","7428","7434","10.1021/jo301223q","","","0.71073","MoKα","","0.087","0.0717","","","0.2003","0.2099","","","","","","1.205","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027455","22.661","0.003","11.8591","0.0015","16.804","0.002","90","","104.866","0.002","90","","4364.7","1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C87.32 H57.32 Cl9.96 O4 -","- C87.32 H57.32 Cl9.96 O4 -","- C174.64 H114.64 Cl19.92 O8 -","2","0.5","","Edgar Escalante-Sánchez; Braulio Rodríguez-Molina; Miguel A. Garcia-Garibay","Toward Crystalline Molecular Rotors with Linearly Conjugated Diethynyl-Phenylene Rotators and Pentiptycene Stators","Journal of Organic Chemistry","2012","77","","7428","7434","10.1021/jo301223q","","","0.71073","MoKα","","0.0924","0.0793","","","0.2442","0.2555","","","","","","1.055","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027456","7.4988","0.0001","25.1729","0.0004","8.5003","0.0001","90","","115.622","0.001","90","","1446.79","0.04","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 O3 -","- C19 H18 O3 -","- C76 H72 O12 -","4","1","","Evans O. Onyango; Peter A. Jacobi","Synthetic Studies on Furanosteroids: Construction of the Viridin Core Structure via Diels-Alder/retro-Diels-Alder and Vinylogous Mukaiyama Aldol-Type Reaction","Journal of Organic Chemistry","2012","77","","7411","7427","10.1021/jo301232w","","x-ray","1.54178","CuKα","","0.0402","0.0369","","","0.0957","0.0983","","","","","","1.067","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027457","24.4458","0.0005","24.4458","0.0005","26.3085","0.0004","90","","90","","120","","13615.6","0.4","150","1","150","1","","","","","","","","6","R 3 c :H","R 3 -2""c","161","","","","- C30.33 H37.67 Br2 Fe N3 O1.33 -","- C30.34 H37.68 Br2 Fe N3 O1.33 -","- C546.12 H678.24 Br36 Fe18 N54 O23.94 -","18","1","","Timothy K. Lane; Brendan R. D'Souza; Janis Louie","Iron-Catalyzed Formation of 2-Aminopyridines from Diynes and Cyanamides","Journal of Organic Chemistry","2012","77","","7555","7563","10.1021/jo3012418","","","0.71073","MoKα","","0.0596","0.0394","","","0.0865","0.0932","","","","","","1","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027458","10.302","0.0003","9.9176","0.0003","20.2026","0.0008","90","","94.2098","0.0019","90","","2058.55","0.12","150","1","150","1","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C23 H25 N3 O2 S -","- C23 H25 N3 O2 S -","- C92 H100 N12 O8 S4 -","4","1","","Timothy K. Lane; Brendan R. D'Souza; Janis Louie","Iron-Catalyzed Formation of 2-Aminopyridines from Diynes and Cyanamides","Journal of Organic Chemistry","2012","77","","7555","7563","10.1021/jo3012418","","","0.71073","MoKα","","0.0828","0.0511","","","0.1167","0.1317","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027459","8.0434","0.0005","11.8212","0.0008","17.4583","0.0011","90","","95.022","0.002","90","","1653.61","0.18","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H15 N O5 -","- C19 H15 N O5 -","- C76 H60 N4 O20 -","4","1","","Ende Li; Xingcan Cheng; Chengyu Wang; Yushang Shao; Yanzhong Li","Palladium-Catalyzed Synthesis of 2,3,4-Trisubstituted Furans via Cascade Reactions of Aryloxy-enynes with Aryl Halides","Journal of Organic Chemistry","2012","77","","7744","7748","10.1021/jo3012545","","","0.71073","MoKα","","0.0531","0.0425","","","0.1094","0.1174","","","","","","1.03","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027460","15.1","0.002","10.896","0.001","10.787","0.001","90","","90","","90","","1774.8","0.3","293","2","293","2","","","","","","","","6","P n a 21","P 2c -2n","33","","5,5-difluoro-2,8-dimethyl-3,7-di(thiophen-2-yl)-5H-dipyrrolo[1,2-c:2',1'-f] [1,3,2]diazaborinin-6-ium-5-uide","","- C19 H15 B F2 N2 S2 -","- C19 H15 B F2 N2 S2 -","- C76 H60 B4 F8 N8 S8 -","4","1","","Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties","Journal of Organic Chemistry","2012","77","","7512","7525","10.1021/jo301300b","","","0.7107","MoKα","","0.0538","0.0362","","","0.0793","0.0885","","","","","","1.058","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027461","14.048","0.005","6.393","0.006","14.113","0.003","90","","90","","90","","1267.5","1.3","293","2","293","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","5,5-difluoro-2,3,7,8-tetramethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2] diazaborinin-6-ium-5-uide","","- C13 H15 B F2 N2 -","- C13 H15 B F2 N2 -","- C52 H60 B4 F8 N8 -","4","0.5","","Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties","Journal of Organic Chemistry","2012","77","","7512","7525","10.1021/jo301300b","","","1.54187","CuKα","","0.0615","0.0464","","","0.1294","0.1525","","","","","","1.068","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027462","29.821","0.003","13.0253","0.0012","11.3123","0.001","90","","108.2","0.008","90","","4174.2","0.7","203","2","203","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","7,7'-([2,2'-bithiophene]-5,5'-diyl)bis(3-(5-bromothiophen-2-yl)- 5,5-difluoro-2,8-dimethyl-5H-dipyrrolo[1,2-c:2',1'-f][1,3,2] diazaborinin-6-ium-5-uide)","","- C40 H30 B2 Br2 F4 N4 O0.5 S4 -","- C38 H26 B2 Br2 F4 N4 S4 -","- C152 H104 B8 Br8 F16 N16 S16 -","4","0.5","","Arnaud Poirel; Antoinette De Nicola; Pascal Retailleau; Raymond Ziessel","Oxidative Coupling of 1,7,8-Unsubstituted BODIPYs: Synthesis and Electrochemical and Spectroscopic Properties","Journal of Organic Chemistry","2012","77","","7512","7525","10.1021/jo301300b","","","1.54187","CuKα","","0.1234","0.0893","","","0.257","0.3144","","","","","","1.192","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027463","17.7159","0.0018","9.6703","0.0009","29.114","0.003","90","","90","","90","","4987.8","0.9","298","2","298","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C28 H23 Br Cl F N2 O -","- C28 H23 Br Cl F N2 O -","- C224 H184 Br8 Cl8 F8 N16 O8 -","8","1","","Bo Jiang; Ying Li; Man-Su Tu; Shu-Liang Wang; Shu-Jiang Tu; Guigen Li","Allylic Amination and N-Arylation-Based Domino Reactions Providing Rapid Three-Component Strategies to Fused Pyrroles with Different Substituted Patterns","Journal of Organic Chemistry","2012","77","","7497","7505","10.1021/jo301323r","","","0.71073","MoKα","","0.1201","0.0557","","","0.1372","0.1549","","","","","","1.033","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027464","6.562","0.0008","15.7896","0.0016","22.268","0.002","90","","93.484","0.001","90","","2303","0.4","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 Cl N2 O3 -","- C25 H25 Cl N2 O3 -","- C100 H100 Cl4 N8 O12 -","4","1","","Bo Jiang; Ying Li; Man-Su Tu; Shu-Liang Wang; Shu-Jiang Tu; Guigen Li","Allylic Amination and N-Arylation-Based Domino Reactions Providing Rapid Three-Component Strategies to Fused Pyrroles with Different Substituted Patterns","Journal of Organic Chemistry","2012","77","","7497","7505","10.1021/jo301323r","","","0.71073","MoKα","","0.1705","0.0599","","","0.0809","0.0966","","","","","","0.99","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027465","7.744","0.008","17.071","0.016","10.665","0.01","90","","104.316","0.014","90","","1366","2","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H8 N4 O S3 -","- C14 H8 N4 O S3 -","- C56 H32 N16 O4 S12 -","4","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.71075","MoKα","","0.0754","0.0604","","","0.1589","0.1841","","","","","","1.336","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027466","13.891","0.003","11.994","0.003","12.028","0.003","90","0.0016","122.982","0.002","90","0.0016","1681","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 N4 S3 -","- C18 H14 N4 S3 -","- C72 H56 N16 S12 -","4","0.5","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0397","0.0386","","","0.1005","0.1017","","","","","","1.098","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027467","7.961","0.003","9.065","0.004","23.363","0.008","90","0.004","92.484","0.004","90","0.004","1684.4","1.1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 S3 -","- C18 H14 N4 S3 -","- C72 H56 N16 S12 -","4","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0477","0.0444","","","0.1479","0.1528","","","","","","1.177","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027468","19.399","0.003","73.053","0.006","6.4702","0.0007","90","","90","","90","","9169.3","1.9","150","2","150","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C26 H26 N4 O S -","- C26 H28 N4 O S -","- C416 H448 N64 O16 S16 -","16","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0358","0.0351","","","0.1011","0.1042","","","","","","0.817","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027469","21.1724","0.0011","13.2827","0.0005","7.0396","0.0002","90","","90","","90","","1979.72","0.14","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C24 H22 N4 O2 S -","- C24 H22 N4 O2 S -","- C96 H88 N16 O8 S4 -","4","1","","Shin-ichiro Kato; Takayuki Furuya; Atsushi Kobayashi; Masashi Nitani; Yutaka Ie; Yoshio Aso; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","π-Extended Thiadiazoles Fused with Thienopyrrole or Indole Moieties: Synthesis, Structures, and Properties","Journal of Organic Chemistry","2012","77","","7595","7606","10.1021/jo301458m","","","0.7107","MoKα","","0.0261","0.0261","","","0.0716","0.0716","","","","","","1.144","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027470","10.505","0.002","24.665","0.004","11.273","0.002","90","","116.31","0.01","90","","2618.3","0.8","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O3 S2 -","- C28 H34 N2 O3 S2 -","- C112 H136 N8 O12 S8 -","4","2","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","0.71069","MoKα","","0.0551","0.0414","","","0.0923","0.1008","","","","","","1.02","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027471","11.5299","0.0008","10.2662","0.0004","11.8713","0.0008","90","","119.144","0.008","90","","1227.29","0.16","203","2","203","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H30 N2 O3 S2 -","- C24 H30 N2 O3 S2 -","- C48 H60 N4 O6 S4 -","2","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.0362","0.0336","","","0.0839","0.0858","","","","","","1.007","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027472","21.3898","0.0014","9.7688","0.0008","12.5363","0.0009","90","","109.462","0.005","90","","2469.8","0.3","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H30 N2 O3 S2 -","- C24 H30 N2 O3 S2 -","- C96 H120 N8 O12 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.1331","0.0663","","","0.1291","0.1847","","","","","","1.033","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027473","5.8634","0.0001","16.1936","0.0004","29.196","0.0002","90","","90","","90","","2772.15","0.09","203","2","203","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H38 N2 O3 S2 -","- C29 H38 N2 O3 S2 -","- C116 H152 N8 O12 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.065","0.0424","","","0.079","0.1056","","","","","","1.181","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027474","6.285","0.001","17.836","0.003","27.578","0.003","90","","90","","90","","3091.5","0.8","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H31 Cl3 N2 O5 S2 -","- C26 H31 Cl3 N2 O5 S2 -","- C104 H124 Cl12 N8 O20 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","0.71069","MoKα","","0.1087","0.0798","","","0.2019","0.2292","","","","","","1.04","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027475","13.0891","0.0004","9.7802","0.0003","22.77","0.0016","90","","96.735","0.007","90","","2894.8","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H38 N2 O3 S2 -","- C29 H38 N2 O3 S2 -","- C116 H152 N8 O12 S8 -","4","2","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.1101","0.0408","","","0.0811","0.1173","","","","","","1.1","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027476","5.7918","0.0001","17.1657","0.0005","25.058","0.0017","90","","90","","90","","2491.27","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 N3 O8 S2 -","- C22 H23 N3 O8 S2 -","- C88 H92 N12 O32 S8 -","4","1","","Camille Lescot; Benjamin Darses; Florence Collet; Pascal Retailleau; Philippe Dauban","Intermolecular C-H Amination of Complex Molecules: Insights into the Factors Governing the Selectivity","Journal of Organic Chemistry","2012","77","","7232","7240","10.1021/jo301563j","","","1.54187","CuKα","","0.0895","0.0516","","","0.1204","0.1695","","","","","","1.215","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027477","9.4174","0.0004","10.2417","0.0004","13.5578","0.0004","107.832","0.001","90.81","","93.429","0.001","1241.88","0.08","125","2","125","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H30 N2 O4 -","- C30 H30 N2 O4 -","- C60 H60 N4 O8 -","2","1","","Paul A. Vadola; Dalibor Sames","Catalytic Coupling of Arene C-H Bonds and Alkynes for the Synthesis of Coumarins: Substrate Scope and Application to the Development of Neuroimaging Agents","Journal of Organic Chemistry","2012","77","","7804","7814","10.1021/jo3006842","","","0.71073","MoKα","","0.0673","0.0476","","","0.122","0.1341","","","","","","1.031","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027478","21.575","0.014","8.693","0.005","10.727","0.006","90","","90","","90","","2012","2","100","2","100","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C19 H25 N O9 -","- C19 H25 N O9 -","- C76 H100 N4 O36 -","4","1","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","0.7107","MoKα","","0.113","0.0714","","","0.1576","0.1881","","","","","","1.017","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027479","12.405","0.003","5.4897","0.0014","27.102","0.005","90","","97.034","0.016","90","","1831.7","0.7","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C18 H22 O9 -","- C18 H22 O9 -","- C72 H88 O36 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","0.71073","MoKα","","0.1858","0.0923","","","0.1834","0.2372","","","","","","0.994","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027480","12.0417","0.001","5.465","0.0005","25.3903","0.0017","90","","101.315","0.004","90","","1638.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O8 -","- C17 H18 O8 -","- C68 H72 O32 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","1.54178","CuKα","","0.049","0.0444","","","0.1175","0.1212","","","","","","1.069","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027481","15.598","0.008","5.885","0.007","24.32","0.003","90","","99.165","0.01","90","","2204","3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C112 H96 O20 -","4","1","","Congde Huo; Xiaolan Xu; Jinzhu An; Xiaodong Jia; Xicun Wang; Cheng Wang","Approach to Construct Polysubstituted 1,2-Dihydronaphtho[2,1-b]furans and Their Aerobic Oxidative Aromatization","Journal of Organic Chemistry","2012","77","","8310","8316","10.1021/jo300827s","","","0.71073","MoKα","","0.0874","0.0502","","","0.1078","0.1297","","","","","","1.021","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027482","8.064","0.002","9.03","0.002","16.884","0.005","97.742","0.003","98.905","0.003","111.668","0.002","1103.9","0.5","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O5 -","- C28 H24 O5 -","- C56 H48 O10 -","2","1","","Congde Huo; Xiaolan Xu; Jinzhu An; Xiaodong Jia; Xicun Wang; Cheng Wang","Approach to Construct Polysubstituted 1,2-Dihydronaphtho[2,1-b]furans and Their Aerobic Oxidative Aromatization","Journal of Organic Chemistry","2012","77","","8310","8316","10.1021/jo300827s","","","0.71073","MoKα","","0.059","0.0429","","","0.1031","0.1154","","","","","","1.01","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027483","9.627","0.006","22.777","0.015","20.968","0.014","90","","90.706","0.007","90","","4597","5","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C56 H44 O10 -","- C56 H44 O10 -","- C224 H176 O40 -","4","1","","Congde Huo; Xiaolan Xu; Jinzhu An; Xiaodong Jia; Xicun Wang; Cheng Wang","Approach to Construct Polysubstituted 1,2-Dihydronaphtho[2,1-b]furans and Their Aerobic Oxidative Aromatization","Journal of Organic Chemistry","2012","77","","8310","8316","10.1021/jo300827s","","","0.71073","MoKα","","0.1454","0.0588","","","0.1052","0.1468","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027484","8.4484","0.0009","5.7765","0.0007","20.541","0.003","90","","92.337","0.003","90","","1001.6","0.2","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","iminosugars","","","- C21 H25 N3 O6 -","- C21 H25 N3 O6 -","- C42 H50 N6 O12 -","2","1","","Nitin J. Pawar; Vijay Singh Parihar; Sanjay T. Chavan; Rakesh Joshi; Pranaya V. Joshi; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","α-Geminal Dihydroxymethyl Piperidine and Pyrrolidine Iminosugars: Synthesis, Conformational Analysis, Glycosidase Inhibitory Activity, and Molecular Docking Studies","Journal of Organic Chemistry","2012","77","","7873","7882","10.1021/jo3009534","","","0.71073","MoKα","","0.0758","0.0668","","","0.1806","0.1899","","","","","","1.004","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027485","6.299","0.001","39.634","0.008","9.864","0.002","90","","108.327","0.014","90","","2337.7","0.8","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","iminosugars","","","- C24 H28 Cl2 O6 -","- C24 H28 Cl2 O6 -","- C96 H112 Cl8 O24 -","4","2","","Nitin J. Pawar; Vijay Singh Parihar; Sanjay T. Chavan; Rakesh Joshi; Pranaya V. Joshi; Sushma G. Sabharwal; Vedavati G. Puranik; Dilip D. Dhavale","α-Geminal Dihydroxymethyl Piperidine and Pyrrolidine Iminosugars: Synthesis, Conformational Analysis, Glycosidase Inhibitory Activity, and Molecular Docking Studies","Journal of Organic Chemistry","2012","77","","7873","7882","10.1021/jo3009534","","","0.71073","MoKα","","0.0956","0.0841","","","0.1676","0.1729","","","","","","1.185","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027486","8.2485","0.0012","18.038","0.003","18.437","0.003","90","","98.36","0.003","90","","2714","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-benzene","","- C30 H32 O2 -","- C30 H32 O2 -","- C120 H128 O8 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1161","0.0759","","","0.2181","0.2447","","","","","","1.039","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027487","8.2078","0.001","17.596","0.002","17.918","0.002","90","","97.284","0.002","90","","2566.9","0.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-Benzonitrile","","- C31 H33 N O2 -","- C31 H31 N O2 -","- C124 H124 N4 O8 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0674","0.0475","","","0.1166","0.1284","","","","","","1.018","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027488","8.0967","0.0018","17.94","0.004","17.98","0.004","89.165","0.004","83.195","0.005","89.235","0.004","2592.8","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-o-dichlorobenzene","","- C30 H32 Cl2 O2 -","- C30 H30 Cl2 O2 -","- C120 H120 Cl8 O8 -","4","2","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1039","0.0712","","","0.1908","0.2122","","","","","","1.061","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027489","8.201","0.0018","17.558","0.004","17.919","0.004","90","","96.593","0.005","90","","2563.1","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-nitrobenzene","","- C30 H33 N O4 -","- C30 H31 N O4 -","- C120 H124 N4 O16 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0978","0.0683","","","0.1817","0.2024","","","","","","1.054","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027490","12.377","0.003","14.581","0.004","13.551","0.004","90","","96.804","0.005","90","","2428.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene","2,4-Bis(4-hydroxy-2,6-dimethylphenyl)-1,5-dimethylbenzene-pyridine","","- C29 H33 N O2 -","- C29 H31 N O2 -","- C116 H124 N4 O8 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0824","0.0626","","","0.1688","0.1848","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027491","17.4544","0.0018","18.217","0.002","17.9014","0.0018","90","","94.161","0.002","90","","5677","1","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-4Benzene","","- C72 H66 O4 -","- C69 H63 O4 -","- C276 H252 O16 -","4","2","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1577","0.0934","","","0.1878","0.2145","","","","","","1.051","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027492","8.811","0.003","18.184","0.006","17.936","0.006","90","","92.682","0.007","90","","2870.5","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-3Benzonitrile","","- C69 H57 N3 O4 -","- C69 H57 N3 O4 -","- C138 H114 N6 O8 -","2","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1288","0.0768","","","0.1564","0.1814","","","","","","1.05","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027493","7.946","0.005","16.796","0.01","18.346","0.011","90","","98.591","0.011","90","","2421","3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-2Nitrobenzene","","- C60 H52 N2 O8 -","- C30 H26 N O4 -","- C120 H104 N4 O16 -","4","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1203","0.0626","","","0.1474","0.1675","","","","","","1.023","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027494","8.773","0.004","18.152","0.008","17.899","0.008","90","","92.966","0.009","90","","2847","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene-1Nitrobenzene-2Benzene","","- C66 H59 N O6 -","- C66 H59 N O6 -","- C132 H118 N2 O12 -","2","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.1195","0.0778","","","0.1985","0.2116","","","","","","1.01","","","","has coordinates","176810","2020-10-21","18:00:00",""
"4027495","12.268","0.002","12.809","0.002","13.237","0.002","62.041","0.003","74.343","0.003","86.046","0.003","1765.1","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene","1,3,6,8-Tetrakis(4-hydroxy-2,6-dimethylphenyl)pyrene -4ortho-dichlorobenzene-2pyridine","","- C82 H68 Cl8 N2 O4 -","- C41 H34 Cl4 N O2 -","- C82 H68 Cl8 N2 O4 -","2","1","","Alankriti Bajpai; Palani Natarajan; Paloth Venugopalan; Jarugu Narasimha Moorthy","Crystal Engineering: Lattice Inclusion Based on O-H...O Hydrogen-Bonded Self-Assembly and Guest-Induced Structural Mimicry","Journal of Organic Chemistry","2012","77","","7858","7865","10.1021/jo3010292","","","0.71073","MoKα","","0.0946","0.0702","","","0.1831","0.2008","","","","","","1.048","","","","has coordinates,has disorder","178453","2020-10-21","18:00:00",""
"4027496","6.33117","0.00011","16.0227","0.0003","16.6694","0.0012","72.265","0.005","86.022","0.006","81.314","0.006","1591.66","0.13","93","","93","","","","","","","","","4","P -1","-P 1","2","","","","- C16 H17 N O6 -","- C16 H16 N O6 -","- C64 H64 N4 O24 -","4","2","","Santosh Keshipeddy; Isamir Martínez; Bernard F. Castillo; Martha D. Morton; Amy R. Howell","Toward a Formal Synthesis of Laureatin: Unexpected Rearrangements Involving Cyclic Ether Nucleophiles","Journal of Organic Chemistry","2012","77","","7883","7890","10.1021/jo301048z","","","1.54187","CuKα","","","0.0639","","","","0.1884","","","","","","1.059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027497","6.3318","0.0007","10.132","0.002","11.589","0.002","101.78","0.02","92.89","0.02","80.51","0.02","717.8","0.2","296","","296","","","","","","","","","4","P -1","-P 1","2","","","","- C14 H17 N3 O4 -","- C14 H17 N3 O4 -","- C28 H34 N6 O8 -","2","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","","1.54178","CuKα","","0.0525","0.0525","","0.0802","","0.0802","","","1.867","","","1.867","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027498","20.131","0.004","5.594","0.0011","10.268","0.002","90","","93.24","0.03","90","","1154.5","0.4","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N O2 -","- C13 H17 N O2 -","- C52 H68 N4 O8 -","4","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","x-ray","0.71073","MoKα","","0.0925","0.0563","","","0.1225","0.1412","","","","","","1.127","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027499","9.988","0.002","7.3613","0.0015","20.055","0.004","90","","101.07","0.03","90","","1447.1","0.5","296","","296","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H19 N O -","- C18 H19 N O -","- C72 H76 N4 O4 -","4","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","x-ray","1.54178","CuKα","","0.0891","0.0664","","","0.1774","0.1932","","","","","","1.038","","","","has coordinates","178453","2020-10-21","18:00:00",""
"4027500","8.898","0.0018","11.057","0.002","16.775","0.003","90","","90","","90","","1650.4","0.5","296","","296","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 N2 O3 -","- C16 H26 N2 O3 -","- C64 H104 N8 O12 -","4","1","","Emilien Demory; Daniel Farran; Benoit Baptiste; Pierre Y. Chavant; Véronique Blandin","Fast Pd- and Pd/Cu-Catalyzed Direct C-H Arylation of Cyclic Nitrones. Application to the Synthesis of Enantiopure Quaternary α-Amino Esters","Journal of Organic Chemistry","2012","77","","7901","7912","10.1021/jo301114k","","x-ray","1.54178","CuKα","","0.072","0.0407","","","0.1023","0.1147","","","","","","1.027","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027501","7.5536","0.0018","7.5571","0.0018","16.888","0.004","91.672","0.003","98.728","0.003","102.127","0.003","929.7","0.4","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C18 H22 Br N O4 S -","- C18 H22 Br N O4 S -","- C36 H44 Br2 N2 O8 S2 -","2","2","","Yun-Long Guo; Jian-Fei Bai; Lin Peng; Liang-Liang Wang; Li-Na Jia; Xi-Ya Luo; Fang Tian; Xiao-Ying Xu; Li-Xin Wang","Direct Asymmetric Vinylogous Mannich Reaction of 3,4-Dihalofuran-2(5H)-one with Aldimine Catalyzed by Quinine","Journal of Organic Chemistry","2012","77","","8338","8343","10.1021/jo301115t","","","0.71073","MoKα","","0.0584","0.0457","","","0.1174","0.1274","","","","","","1.027","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027502","7.723","0.006","14.057","0.011","9.372","0.007","90","","100.703","0.013","90","","999.7","1.3","296","2","296","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C18 H18 F6 Fe N O P -","- C18 H18 F6 Fe N O P -","- C36 H36 F12 Fe2 N2 O2 P2 -","2","1","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.035","0.0339","","","0.0965","0.098","","","","","","1.035","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027503","9.4989","0.0009","14.4181","0.0014","25.099","0.002","90","","90","","90","","3437.5","0.5","132","2","132","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C36 H26 Mo N O7 P -","- C36 H26 Mo N O7 P -","- C144 H104 Mo4 N4 O28 P4 -","4","1","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.028","0.0257","","","0.062","0.063","","","","","","0.934","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027504","9.6342","0.0006","31.0416","0.0018","10.4692","0.0006","90","","107.998","0.001","90","","2977.7","0.3","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C24 H25 F12 N O P Pd Sb -","- C24 H25 F12 N O P Pd Sb -","- C96 H100 F48 N4 O4 P4 Pd4 Sb4 -","4","2","","Zongjian Hu; Yuguang Li; Kai Liu; Qilong Shen","Bis(perfluoroalkyl) Phosphino-Oxazoline: A Modular, Stable, Strongly π-Accepting Ligand for Asymmetric Catalysis","Journal of Organic Chemistry","2012","77","","7957","7967","10.1021/jo3011717","","","0.71073","MoKα","","0.0306","0.029","","","0.0714","0.0724","","","","","","1.052","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027505","7.648","0.004","18.045","0.01","11.434","0.006","90","","103.497","0.007","90","","1534.4","1.4","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Br N2 O Pd S2 -","- C14 H13 Br N2 O Pd S2 -","- C56 H52 Br4 N8 O4 Pd4 S8 -","4","1","","Qun-Li Luo; Jian-Ping Tan; Zhi-Fu Li; Wen-Hui Nan; Dong-Rong Xiao","Suzuki-Miyaura Coupling of Aryl Iodides, Bromides, and Chlorides Catalyzed by Bis(thiazole) Pincer Palladium Complexes","Journal of Organic Chemistry","2012","77","","8332","8337","10.1021/jo3011733","","","0.71073","MoKα","","0.0887","0.0686","","","0.1881","0.2041","","","","","","1.341","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027506","23.163","0.005","6.9651","0.0014","23.617","0.005","90","","118.15","0.03","90","","3359.5","1.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N2 O3.5 Pd S2 -","- C16 H14 N2 O3.5 Pd S2 -","- C128 H112 N16 O28 Pd8 S16 -","8","2","","Qun-Li Luo; Jian-Ping Tan; Zhi-Fu Li; Wen-Hui Nan; Dong-Rong Xiao","Suzuki-Miyaura Coupling of Aryl Iodides, Bromides, and Chlorides Catalyzed by Bis(thiazole) Pincer Palladium Complexes","Journal of Organic Chemistry","2012","77","","8332","8337","10.1021/jo3011733","","","0.71073","MoKα","","0.2588","0.0796","","","0.1347","0.1783","","","","","","0.928","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027507","9.6958","0.0006","6.1371","0.0004","10.4129","0.0006","90","","92.587","0.001","90","","618.98","0.07","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H19 N O4 -","- C13 H19 N O4 -","- C26 H38 N2 O8 -","2","1","","Yukari Kondo; Noriyuki Suzuki; Masato Takahashi; Takuya Kumamoto; Hyuma Masu; Tsutomu Ishikawa","Enantioselective Construction of a Polyhydroxylated Pyrrolidine Skeleton from 3-Vinylaziridine-2-carboxylates: Synthesis of (+)-DMDP and a Potential Common Intermediate for (+)-Hyacinthacine A1and (+)-1-epi-Australine","Journal of Organic Chemistry","2012","77","","7988","7999","10.1021/jo301178b","","","0.71073","MoKα","","0.0318","0.0307","","","0.0763","0.077","","","","","","1.505","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027508","5.6966","0.0001","15.5167","0.0004","19.3507","0.0005","90","","90","","90","","1710.46","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O5 -","- C17 H25 N O5 -","- C68 H100 N4 O20 -","4","1","","Yukari Kondo; Noriyuki Suzuki; Masato Takahashi; Takuya Kumamoto; Hyuma Masu; Tsutomu Ishikawa","Enantioselective Construction of a Polyhydroxylated Pyrrolidine Skeleton from 3-Vinylaziridine-2-carboxylates: Synthesis of (+)-DMDP and a Potential Common Intermediate for (+)-Hyacinthacine A1and (+)-1-epi-Australine","Journal of Organic Chemistry","2012","77","","7988","7999","10.1021/jo301178b","","","1.54178","CuKα","","0.0312","0.0311","","","0.0842","0.0843","","","","","","1.056","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027509","10.656","0.0002","8.0887","0.0001","12.7562","0.0003","90","","105.223","0.001","90","","1060.92","0.03","93","2","93","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H30 O3 Si -","- C21 H30 O3 Si -","- C42 H60 O6 Si2 -","2","1","","Glenn Archibald; Chih-Pei Lin; Peter Boyd; David Barker; Vittorio Caprio","A Divergent Approach to 3-Piperidinols: A Concise Syntheses of (+)-Swainsonine and Access to the 1-Substituted Quinolizidine Skeleton","Journal of Organic Chemistry","2012","77","","7968","7980","10.1021/jo3011914","","","0.71073","MoKα","","0.0406","0.0371","","","0.0895","0.0923","","","","","","1.03","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027510","19.6136","0.0012","7.3535","0.0004","16.0097","0.001","90","","100.394","0.004","90","","2271.2","0.2","90","2","90","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H33 N O2 Si -","- C24 H33 N O2 Si -","- C96 H132 N4 O8 Si4 -","4","1","","Glenn Archibald; Chih-Pei Lin; Peter Boyd; David Barker; Vittorio Caprio","A Divergent Approach to 3-Piperidinols: A Concise Syntheses of (+)-Swainsonine and Access to the 1-Substituted Quinolizidine Skeleton","Journal of Organic Chemistry","2012","77","","7968","7980","10.1021/jo3011914","","","0.71073","MoKα","","0.0401","0.0347","","","0.0795","0.0828","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027511","12.8713","0.0008","6.0733","0.0004","16.3916","0.001","90","","107.338","0.001","90","","1223.13","0.13","273","2","273","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 N2 O2 -","- C14 H14 N2 O2 -","- C56 H56 N8 O8 -","4","1","","Kalyan Dhara; Ganesh Chandra Midya; Jyotirmayee Dash","A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis","Journal of Organic Chemistry","2012","77","","8071","8082","10.1021/jo301234r","","","0.71073","MoKα","","0.0431","0.0403","","","0.1017","0.1052","","","","","","0.899","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027512","8.0061","0.0006","12.2611","0.0009","18.0754","0.0015","90","","100.975","0.002","90","","1741.9","0.2","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 N2 O -","- C21 H22 N2 O -","- C84 H88 N8 O4 -","4","2","","Kalyan Dhara; Ganesh Chandra Midya; Jyotirmayee Dash","A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis","Journal of Organic Chemistry","2012","77","","8071","8082","10.1021/jo301234r","","","0.71073","MoKα","","0.0618","0.0376","","","0.0861","0.1006","","","","","","1.019","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027513","9.9079","0.0004","7.3435","0.0003","18.4664","0.0008","90","","101.148","0.001","90","","1318.24","0.09","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H32 N4 O4 -","- C32 H32 N4 O4 -","- C64 H64 N8 O8 -","2","0.5","","Kalyan Dhara; Ganesh Chandra Midya; Jyotirmayee Dash","A Diversity-Oriented Approach to Spirocyclic and Fused Hydantoins via Olefin Metathesis","Journal of Organic Chemistry","2012","77","","8071","8082","10.1021/jo301234r","","","0.71073","MoKα","","0.0436","0.0388","","","0.1172","0.123","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027514","19.36","0.0007","19.1405","0.0007","20.7892","0.0006","90","","101.023","0.001","90","","7561.5","0.4","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(14R(S),15R(S))-14-Carbamoyl-15-carboxy-7- azadispiro[5.1.5.2]pentadecane-7-oxyl ethyl acetate solvate","","- C17 H27 N2 O4.5 -","- C17 H27 N2 O4.5 -","- C272 H432 N32 O72 -","16","4","","Igor A. Kirilyuk; Yuliya F. Polienko; Olesya A. Krumkacheva; Rodion K. Strizhakov; Yurii V. Gatilov; Igor A. Grigor'ev; Elena G. Bagryanskaya","Synthesis of 2,5-Bis(spirocyclohexane)-Substituted Nitroxides of Pyrroline and Pyrrolidine Series, Including Thiol-Specific Spin Label: An Analogue of MTSSL with Long Relaxation Time","Journal of Organic Chemistry","2012","77","","8016","8027","10.1021/jo301235j","","","0.71073","MoKα","","0.1168","0.0742","","","0.1977","0.2377","","","","","","1.019","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027515","6.6265","0.0003","20.2553","0.0009","11.5994","0.0005","90","","103.759","0.002","90","","1512.22","0.12","149","2","149","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","14-Carbamoyl-7-azadispiro[5.1.5.2]pentadecane-7-oxyl monohydrate","","- C15 H27 N2 O3 -","- C15 H27 N2 O3 -","- C60 H108 N8 O12 -","4","1","","Igor A. Kirilyuk; Yuliya F. Polienko; Olesya A. Krumkacheva; Rodion K. Strizhakov; Yurii V. Gatilov; Igor A. Grigor'ev; Elena G. Bagryanskaya","Synthesis of 2,5-Bis(spirocyclohexane)-Substituted Nitroxides of Pyrroline and Pyrrolidine Series, Including Thiol-Specific Spin Label: An Analogue of MTSSL with Long Relaxation Time","Journal of Organic Chemistry","2012","77","","8016","8027","10.1021/jo301235j","","","0.71073","MoKα","","0.0456","0.0384","","","0.1062","0.1232","","","","","","1.127","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027516","9.2386","0.0008","24.0533","0.0017","6.5901","0.0005","90","","90","","90","","1464.4","0.2","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","14R(S),15R(S)-14,15-dicyano-7-azadispiro[5.1.5.2]pentadecane-7-oxyl","","- C16 H22 N3 O -","- C16 H22 N3 O -","- C64 H88 N12 O4 -","4","1","","Igor A. Kirilyuk; Yuliya F. Polienko; Olesya A. Krumkacheva; Rodion K. Strizhakov; Yurii V. Gatilov; Igor A. Grigor'ev; Elena G. Bagryanskaya","Synthesis of 2,5-Bis(spirocyclohexane)-Substituted Nitroxides of Pyrroline and Pyrrolidine Series, Including Thiol-Specific Spin Label: An Analogue of MTSSL with Long Relaxation Time","Journal of Organic Chemistry","2012","77","","8016","8027","10.1021/jo301235j","","","0.71073","MoKα","","0.0363","0.035","","","0.0926","0.098","","","","","","1.155","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027517","7.3151","0.0008","7.761","0.0009","11.2261","0.0012","110.235","0.005","93.78","0.005","93.453","0.005","594.35","0.12","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N O4 -","- C13 H13 N O4 -","- C26 H26 N2 O8 -","2","1","","Sharavathi G. Parameswarappa; F. Christopher Pigge","Intramolecular Cyclization Manifolds of 4-Alkylpyridines Bearing Ambiphilic Side Chains: Construction of Spirodihydropyridines or Benzylic Cyclization via Anhydrobase Intermediates","Journal of Organic Chemistry","2012","77","","8038","8048","10.1021/jo301247c","","","0.71073","MoKα","","0.0993","0.0688","","","0.1695","0.2008","","","","","","1.391","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027518","8.2463","0.0011","8.2323","0.0011","13.291","0.0018","90","","105.257","0.001","90","","870.5","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H20 N2 O -","- C22 H20 N2 O -","- C44 H40 N4 O2 -","2","1","","Ping Huang; Qin Yang; Zhiyuan Chen; Qiuping Ding; Jingshi Xu; Yiyuan Peng","Metal Cocatalyzed Tandem Alkynylative Cyclization Reaction of in Situ Formed N-Iminoisoquinolinium Ylides with Bromoalkynes via C-H Bond Activation","Journal of Organic Chemistry","2012","77","","8092","8098","10.1021/jo3013429","","","0.71073","MoKα","","0.0455","0.0373","","","0.0955","0.1012","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027519","11.0264","0.0003","12.8797","0.0003","14.4734","0.0003","90","","90","","90","","2055.46","0.09","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O2 -","- C13 H12 O2 -","- C104 H96 O16 -","8","1","","Nayyef Aljaar; Chandi C. Malakar; Jürgen Conrad; Sabine Strobel; Thomas Schleid; Uwe Beifuss","Cu-Catalyzed Reaction of 1,2-Dihalobenzenes with 1,3-Cyclohexanediones for the Synthesis of 3,4-Dihydrodibenzo[b,d]furan-1(2H)-ones","Journal of Organic Chemistry","2012","77","","7793","7803","10.1021/jo3014275","","","0.71073","MoKα","","0.0803","0.0617","","","0.156","0.1716","","","","","","1.103","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027520","8.2833","0.0017","11.337","0.002","14.145","0.003","88.66","0.03","84.99","0.03","80.94","0.03","1306.7","0.5","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H34 N6 O6 -","- C25 H34 N6 O6 -","- C50 H68 N12 O12 -","2","1","","Wei-Jun Chu; Jianming Chen; Chuan-Feng Chen; Yong Yang; Zhigang Shuai","Amidourea-Based Hydrogen-Bonded Heteroduplexes: Structure and Assembling Selectivity","Journal of Organic Chemistry","2012","77","","7815","7822","10.1021/jo301434a","","","0.71073","MoKα","","0.24","0.1392","","","0.2236","0.274","","","","","","1.107","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027521","6.6086","0.0015","7.6941","0.0018","13.414","0.003","88.615","0.018","79.423","0.017","75.95","0.019","650.3","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","ADT-TMSI","ADT-TMSI","","- C24 H24 I2 S2 Si2 -","- C24 H24 I2 S2 Si2 -","- C24 H24 I2 S2 Si2 -","1","0.5","","Masahiro Nakano; Kazuki Niimi; Eigo Miyazaki; Itaru Osaka; Kazuo Takimiya","Isomerically Pure Anthra[2,3-b:6,7-b']-difuran (anti-ADF), -dithiophene (anti-ADT), and -diselenophene (anti-ADS): Selective Synthesis, Electronic Structures, and Application to Organic Field-Effect Transistors","Journal of Organic Chemistry","2012","77","","8099","8111","10.1021/jo301438t","","","0.71069","MoKα","","0.0686","0.0673","","","0.187","0.1882","","","","","","1.174","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027522","7.36","0.002","8.125","0.003","20.588","0.007","90","","90","","90","","1231.2","0.7","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Bowen Fang; Huaiji Zheng; Changgui Zhao; Peng Jing; Huilin Li; Xingang Xie; Xuegong She","Synthesis of the Tetracyclic Core (ABCE Rings) of Daphenylline","Journal of Organic Chemistry","2012","77","","8367","8373","10.1021/jo301533f","","","0.71073","MoKα","","0.0604","0.0444","","","0.0881","0.0944","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027523","7.866","0.004","11.435","0.006","13.934","0.007","74.892","0.005","75.847","0.005","80.987","0.005","1167.5","1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H22 N2 O7 S -","- C21 H22 N2 O7 S -","- C42 H44 N4 O14 S2 -","2","1","","Bowen Fang; Huaiji Zheng; Changgui Zhao; Peng Jing; Huilin Li; Xingang Xie; Xuegong She","Synthesis of the Tetracyclic Core (ABCE Rings) of Daphenylline","Journal of Organic Chemistry","2012","77","","8367","8373","10.1021/jo301533f","","","0.71073","MoKα","","0.0814","0.0533","","","0.1427","0.1585","","","","","","1.044","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027524","9.6169","0.0005","12.7831","0.0009","13.5263","0.0009","90","","90.225","0.002","90","","1662.83","0.18","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H17 N -","- C24 H17 N -","- C96 H68 N4 -","4","1","","Akhilesh K. Verma; Rajeev R. Jha; Ritu Chaudhary; Rakesh K. Tiwari; Kotla Siva K. Reddy; Abhinandan Danodia","Copper-Catalyzed Tandem Synthesis of Indolo-, Pyrrolo[2,1-a]isoquinolines, Naphthyridines and Bisindolo/Pyrrolo[2,1-a]isoquinolines via Hydroamination of ortho-Haloarylalkynes Followed by C-2 Arylation","Journal of Organic Chemistry","2012","77","","8191","8205","10.1021/jo301572p","","","0.71073","MoKα","","0.0657","0.0527","","","0.1309","0.1429","","","","","","1.025","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027525","14.1239","0.0007","14.642","0.0006","16.5327","0.0009","113.017","0.004","96.965","0.004","113.944","0.005","2712.1","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H51 N5 O3 -","- C55 H51 N5 O3 -","- C110 H102 N10 O6 -","2","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","1.54178","CuKα","","0.1041","0.083","","","0.2254","0.2358","","","","","","1.385","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027526","9.4631","0.001","14.978","0.0014","15.1031","0.0016","69.754","0.009","80.705","0.009","73.915","0.009","1924.7","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H41 Cl N4 O -","- C50 H41 Cl N4 O -","- C100 H82 Cl2 N8 O2 -","2","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","0.71073","MoKα","","0.3536","0.0663","","","0.0557","0.0839","","","","","","0.635","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027527","11.5264","0.0002","26.2557","0.0004","13.4965","0.0002","90","","91.037","0.001","90","","4083.83","0.11","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C51 H44 N4 O2 -","- C51 H44 N4 O2 -","- C204 H176 N16 O8 -","4","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","0.71073","MoKα","","0.0714","0.0584","","","0.2085","0.2225","","","","","","0.925","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027528","12.5499","0.0007","29.401","0.0015","12.8567","0.0007","90","","92.946","0.005","90","","4737.6","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C52 H44 Cl6 N4 O3 -","- C52 H44 Cl6 N4 O3 -","- C208 H176 Cl24 N16 O12 -","4","1","","Xiaofang Li; Bin Liu; Xin Xu; Piotr J. Chmielewski","DDQ-Supported Alkoxylation of 2-Aza-21-carbaporphyrin and Noncatalyzed Transetherification of Its 3,21-Dialkoxy Derivatives","Journal of Organic Chemistry","2012","77","","8206","8219","10.1021/jo301573e","","","0.71073","MoKα","","0.1874","0.0595","","","0.1314","0.1648","","","","","","0.732","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027529","12.92","0.02","6.86","0.02","15.68","0.03","90","","95.1","0.2","90","","1384","5","173.1","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Akari Miyawaki; Daisuke Kikuchi; Masu Niki; Yuki Manabe; Makoto Kanematsu; Hiromasa Yokoe; Masahiro Yoshida; Kozo Shishido","Total Synthesis of Natural Enantiomers of Heliespirones A and Cviathe Diastereoselective Intramolecular Hosomi-Sakurai Reaction","Journal of Organic Chemistry","2012","77","","8231","8243","10.1021/jo3016055","","","0.7107","MoKα","","","0.04","","","","0.1","","","","","","0.925","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027530","6.527","0.003","22.527","0.009","9.912","0.004","90","","105.66","0.03","90","","1403.3","1","173.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Akari Miyawaki; Daisuke Kikuchi; Masu Niki; Yuki Manabe; Makoto Kanematsu; Hiromasa Yokoe; Masahiro Yoshida; Kozo Shishido","Total Synthesis of Natural Enantiomers of Heliespirones A and Cviathe Diastereoselective Intramolecular Hosomi-Sakurai Reaction","Journal of Organic Chemistry","2012","77","","8231","8243","10.1021/jo3016055","","","0.7107","MoKα","","","0.047","","","","0.088","","","","","","1.002","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027531","10.1517","0.0006","14.9384","0.0008","24.3639","0.0014","90","","98.064","0.001","90","","3658.3","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 Br N7 O2 -","- C42 H40 Br N7 O2 -","- C168 H160 Br4 N28 O8 -","4","1","","Kesavapillai Sreenath; Ronald J. Clark; Lei Zhu","Tricolor Emission of a Fluorescent Heteroditopic Ligand over a Concentration Gradient of Zinc(II) Ions","Journal of Organic Chemistry","2012","77","","8268","8279","10.1021/jo3016659","","","0.71073","MoKα","","0.0568","0.0392","","","0.0838","0.0909","","","","","","0.96","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4027532","12.0417","0.001","5.465","0.0005","25.3903","0.0017","90","","101.315","0.004","90","","1638.4","0.2","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H18 O8 -","- C17 H18 O8 -","- C68 H72 O32 -","4","2","","Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner","Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides","Journal of Organic Chemistry","2012","77","","7823","7843","10.1021/jo300722y","","","1.54178","CuKα","","0.0492","0.0445","","","0.1191","0.1229","","","","","","1.069","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027533","6.993","0.0014","8.711","0.0017","13.512","0.003","74.66","0.03","75.88","0.03","85.75","0.03","769.8","0.3","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C13 H14 F N O2 S2 Si -","- C13 H14 F N O2 S2 Si -","- C26 H28 F2 N2 O4 S4 Si2 -","2","1","","Rakesh Kumar; Barbara Zajc","Stereoselective Synthesis of Conjugated Fluoro Enynes","Journal of Organic Chemistry","2012","77","","8417","8427","10.1021/jo300971w","","","0.71073","MoKα","","0.0706","0.0487","","","0.1109","0.1215","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027534","13.3608","0.0008","11.5312","0.0007","14.2727","0.0009","90","","113.297","0.001","90","","2019.7","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","CE-OH.H2O","","","- C22 H26 O8 -","- C22 H26 O8 -","- C88 H104 O32 -","4","1","","Prem N. Basa; Andrew G. Sykes","Differential Sensing of Zn(II) and Cu(II) via Two Independent Mechanisms","Journal of Organic Chemistry","2012","77","","8428","8434","10.1021/jo301193n","","","0.71073","MoKα","","0.0737","0.044","","","0.0994","0.1148","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027535","10.3937","0.0013","10.5073","0.0013","25.914","0.003","90","","90","","90","","2830.1","0.6","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H37 N O9 -","- C30 H37 N O9 -","- C120 H148 N4 O36 -","4","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.1954","0.0603","","","0.1795","0.2478","","","","","","1.175","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027536","10.8975","0.0004","18.7065","0.0008","11.7408","0.0005","90","","92.968","0.003","90","","2390.2","0.17","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O8 -","- C24 H32 O8 -","- C96 H128 O32 -","4","2","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.096","0.0482","","","0.1253","0.187","","","","","","0.99","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027537","6.9969","0.0017","11.484","0.003","27.382","0.007","90","","90","","90","","2200.2","1","153","2","153","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O8 -","- C23 H28 O8 -","- C92 H112 O32 -","4","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","0.71073","MoKα","","0.0511","0.0438","","","0.0906","0.0944","","","","","","0.999","","","","has coordinates","198632","2020-10-21","18:00:00",""
"4027538","10.068","0.003","9.308","0.002","11.584","0.003","90","","108.829","0.01","90","","1027.5","0.5","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H24 O7 -","- C22 H24 O7 -","- C44 H48 O14 -","2","1","","Dahai He; Lisheng Ding; Hongxi Xu; Xinxiang Lei; Hongping Xiao; Yan Zhou","Gymnothelignans A-O: Conformation and Absolute Configuration Analyses of Lignans Bearing Tetrahydrofuran from Gymnotheca chinensis","Journal of Organic Chemistry","2012","77","","8435","8443","10.1021/jo301225v","","","1.54178","CuKα","","0.1246","0.0714","","","0.2309","0.2943","","","","","","1.156","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027539","7.4004","0.0002","13.9268","0.0003","17.7637","0.0005","90","","91.185","0.001","90","","1830.4","0.08","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.1078","0.0675","","","0.1778","0.2044","","","","","","1.039","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027540","9.4871","0.0004","16.6809","0.0007","14.2027","0.0008","90","","103.861","0.002","90","","2182.17","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C108 H88 N8 O12 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.1308","0.0708","","","0.1807","0.2193","","","","","","1.028","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027541","9.9265","0.0003","13.7635","0.0005","16.0077","0.0006","90","","101.314","0.002","90","","2144.53","0.13","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H22 N2 O3 -","- C27 H22 N2 O3 -","- C108 H88 N8 O12 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.0753","0.0471","","","0.1147","0.137","","","","","","0.84","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027542","6.4451","0.0002","26.2633","0.0011","9.9175","0.0005","90","","99.505","0.002","90","","1655.68","0.12","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Chintakunta Ramesh; Po-Min Lei; Donala Janreddy; Veerababurao Kavala; Chun-Wei Kuo; Ching-Fa Yao","Synthesis of Indolylquinolines, Indolylacridines, and Indolylcyclopenta[b]quinolines from the Baylis-Hillman Adducts: An in Situ [1,3]-Sigmatropic Rearrangement of an Indole Nucleus To Access Indolylacridines and Indolylcyclopenta[b]quinolines","Journal of Organic Chemistry","2012","77","","8451","8464","10.1021/jo301313m","","","0.71073","MoKα","","0.1613","0.0642","","","0.1493","0.2046","","","","","","0.953","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027543","5.4838","0.0008","9.3179","0.0016","15.686","0.002","90.263","0.009","94.18","0.008","103.759","0.009","776.2","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H36 N4 S4 -","- C32 H36 N4 S4 -","- C32 H36 N4 S4 -","1","0.5","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54178","CuKα","","0.0974","0.0821","","","0.196","0.2032","","","","","","1.1","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027544","15.0414","0.0006","8.2503","0.0003","33.904","0.0012","90","","90","","90","","4207.4","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C46 H48 N4 S6 -","- C46 H48 N4 S6 -","- C184 H192 N16 S24 -","4","0.5","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54178","CuKα","","0.0748","0.0652","","","0.1622","0.1701","","","","","","1.078","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027545","10.17209","0.00014","18.426","0.0003","18.4308","0.0003","90","","90.2749","0.0013","90","","3454.46","0.09","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H36 N4 O8 S4 -","- C32 H36 N4 O8 S4 -","- C128 H144 N16 O32 S16 -","4","2","","Mahendra P. Sonawane; Kristof Van Hecke; Jeroen Jacobs; Joice Thomas; Luc Van Meervelt; Wim Dehaen; Wim Van Rossom","Synthetic and Structural Exploration of [24]Tetrathiacalix[2]arene[2]pyrimidines","Journal of Organic Chemistry","2012","77","","8444","8450","10.1021/jo301321w","","","1.54184","CuKα","","0.0637","0.0609","","","0.1534","0.156","","","","","","1.058","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027546","4.9134","0.0006","7.2588","0.0008","11.1904","0.0012","93.4364","0.0014","92.2282","0.0014","95.7291","0.0014","396","0.08","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","2-iodophenylboronic acid","","- C6 H6 B I O2 -","- C6 H6 B I O2 -","- C12 H12 B2 I2 O4 -","2","1","","Nicolas Gernigon; Raed M. Al-Zoubi; Dennis G. Hall","Direct Amidation of Carboxylic Acids Catalyzed byortho-Iodo Arylboronic Acids: Catalyst Optimization, Scope, and Preliminary Mechanistic Study Supporting a Peculiar Halogen Acceleration Effect","Journal of Organic Chemistry","2012","77","","8386","8400","10.1021/jo3013258","","","0.71073","MoKα","","0.0263","0.0257","","","0.0662","0.0667","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027547","8.6065","0.0002","14.1372","0.0006","21.6104","0.0009","90","","90","","90","","2629.38","0.17","298","","298","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C20 H39 F2 N O4 Si2 -","- C20 H39 F2 N O4 Si2 -","- C80 H156 F8 N4 O16 Si8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.1003","0.0888","","","0.2369","0.2518","","","","","","1.068","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027548","9.943","0.0002","12.3857","0.0004","21.2265","0.0007","90","","90","","90","","2614.07","0.13","298","","298","2","","","","","","","Synthesis","6","P 21 21 21","P 2ac 2ab","19","","","","- C21 H41 F2 N O4 Si2 -","- C21 H41 F2 N O4 Si2 -","- C84 H164 F8 N4 O16 Si8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0682","0.0482","","","0.1034","0.1164","","","","","","1.044","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027549","6.1397","0.0001","10.0767","0.0003","31.8096","0.0011","90","","90","","90","","1967.99","0.1","298","","298","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 F2 N O4 -","- C22 H23 F2 N O4 -","- C88 H92 F8 N4 O16 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0682","0.053","","","0.1297","0.141","","","","","","1.049","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027550","6.4369","0.0002","10.2183","0.0002","21.4391","0.0007","90","","90","","90","","1410.14","0.07","298","","298","2","","","","","","","Synthesis","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H23 F2 N O2 -","- C13 H23 F2 N O2 -","- C52 H92 F8 N4 O8 -","4","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","x-ray","0.71073","MoKα","","0.0509","0.0449","","","0.1229","0.1292","","","","","","1.054","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027551","11.898","0.002","8.131","0.0006","12.412","0.002","90","","114.293","0.004","90","","1094.4","0.3","298","2","298","2","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C23 H25 F2 N O4 -","- C23 H25 F2 N O4 -","- C46 H50 F4 N2 O8 -","2","1","","Watcharaporn Thaharn; Teerawut Bootwicha; Darunee Soorukram; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Asymmetric Synthesis of gem-Difluoromethylenated Dihydroxypyrrolizidines and Indolizidines","Journal of Organic Chemistry","2012","77","","8465","8479","10.1021/jo301327s","","","0.71073","MoKα","","0.097","0.0553","","","0.1265","0.1508","","","","","","1.033","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027552","9.9052","0.0002","10.4099","0.0003","15.6229","0.0004","90","","100.067","0.002","90","","1586.11","0.07","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 O -","- C22 H16 O -","- C88 H64 O4 -","4","1","","Krishnendu Bera; Soumen Sarkar; Swapnadeep Jalal; Umasish Jana","Synthesis of Substituted Phenanthrene by Iron(III)-Catalyzed Intramolecular Alkyne-Carbonyl Metathesis","Journal of Organic Chemistry","2012","77","","8780","8786","10.1021/jo301371n","","","0.71073","MoKα","","0.0697","0.0499","","","0.1362","0.1502","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027553","11.3522","0.0002","12.9233","0.0003","9.3901","0.0001","90","","90","","90","","1377.6","0.04","200","","200","","","","","","","","local","5","P c a 21","P 2c -2ac","29","","","","- C12 H10 F5 N O4 -","- C12 H10 F5 N O4 -","- C48 H40 F20 N4 O16 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0372","0.0325","","0.0829","0.08","0.0829","","","","","","1.0015","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027554","8.2952","0.0002","11.0345","0.0003","17.188","0.0004","90","","103.883","0.0014","90","","1527.31","0.07","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H15 N O5 S -","- C15 H15 N O5 S -","- C60 H60 N4 O20 S4 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.049","0.0334","","0.0884","0.0846","0.0884","","","","","","0.9237","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027555","13.2294","0.0003","5.3122","0.0001","25.1873","0.0005","90","","97.6851","0.0013","90","","1754.19","0.06","200","","200","","","","","","","","local","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Cl3 N O3 -","- C17 H16 Cl3 N O3 -","- C68 H64 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0525","0.0404","","0.1058","0.1004","0.1058","","","","","","0.9907","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027556","10.5574","0.0001","11.1904","0.0002","12.0818","0.0002","90","","104.971","0.0009","90","","1378.91","0.04","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C11 H12 Cl3 N O3 -","- C11 H12 Cl3 N O3 -","- C44 H48 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0341","0.0317","","0.0801","0.0783","0.0801","","","","","","1.0021","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027557","9.7962","0.0004","10.5984","0.0003","13.7503","0.0005","90","","90.062","0.002","90","","1427.61","0.09","200","","200","","","","","","","","local","5","P 1 21/a 1","-P 2yab","14","","","","- C12 H14 Cl3 N O3 -","- C12 H14 Cl3 N O3 -","- C48 H56 Cl12 N4 O12 -","4","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.047","0.0337","","0.084","0.0772","0.084","","","","","","1.0001","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027558","6.5153","0.0001","9.6632","0.0003","11.5125","0.0004","88.8571","0.0015","77.467","0.002","85.8","0.002","705.63","0.04","200","","200","","","","","","","","local","5","P -1","-P 1","2","","","","- C11 H12 Cl3 N O3 -","- C11 H12 Cl3 N O3 -","- C22 H24 Cl6 N2 O6 -","2","1","","Masruri; Anthony C. Willis; Malcolm D. McLeod","Osmium-Catalyzed Vicinal Oxyamination of Alkenes by N-(4-Toluenesulfonyloxy)carbamates","Journal of Organic Chemistry","2012","77","","8480","8491","10.1021/jo301372y","","","0.71073","MoKα","","0.0412","0.0359","","0.0932","0.0897","0.0932","","","","","","0.9934","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027559","8.3539","0.0013","9.2782","0.0014","13.883","0.002","101.664","0.002","90.914","0.002","115.71","0.002","942.9","0.2","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H8 N2 O S -","- C10 H8 N2 O S -","- C40 H32 N8 O4 S4 -","4","2","","Yongmei Zhao; Yanmiao Wu; Jiong Jia; Dongju Zhang; Chen Ma","One-Pot Synthesis of Benzo[1,4]thiazin-3(4H)-ones and a Theoretical Study of the S-N Type Smiles Rearrangement Mechanism","Journal of Organic Chemistry","2012","77","","8501","8506","10.1021/jo3014287","","","0.71073","MoKα","","0.0544","0.0381","","","0.0989","0.1099","","","","","","1.017","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027560","12.7506","0.001","9.9723","0.0008","13.5743","0.0011","90","","116.398","0.001","90","","1546","0.2","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H14 F6 N2 -","- C17 H14 F6 N2 -","- C68 H56 F24 N8 -","4","1","","Artur K. Mailyan; Alexander S. Peregudov; Pierre H. Dixneuf; Christian Bruneau; Sergey N. Osipov","Cyclobutene Ring-Opening of Bicyclo[4.2.0]octa-1,6-dienes: Access to CF3-Substituted 5,6,7,8-Tetrahydro-1,7-naphthyridines","Journal of Organic Chemistry","2012","77","","8518","8526","10.1021/jo301501r","","","0.71073","MoKα","","0.0564","0.0482","","","0.1339","0.1432","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027561","10.116","0.005","11.267","0.006","16.714","0.004","90","","90","","90","","1905","1.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H16 Cl N O5 -","- C23 H16 Cl N O5 -","- C92 H64 Cl4 N4 O20 -","4","1","","Sumit K. Ray; Pradeep K. Singh; Nagaraju Molleti; Vinod K. Singh","Enantioselective Synthesis of Coumarin Derivatives by PYBOX-DIPH-Zn(II) Complex Catalyzed Michael Reaction","Journal of Organic Chemistry","2012","77","","8802","8808","10.1021/jo301513x","","","0.71069","MoKα","","0.0633","0.0486","","","0.0986","0.1098","","","","","","1.077","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027562","11.789","0.001","5.3518","0.0005","30.328","0.003","90","","95.048","0.008","90","","1906","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H19 N O2 -","- C27 H19 N O2 -","- C108 H76 N4 O8 -","4","1","","Trapti Aggarwal; Sonu Kumar; Devendra K. Dhaked; Rakesh K. Tiwari; Prasad V. Bharatam; Akhilesh K. Verma","Site-Selective Electrophilic Cyclization and Subsequent Ring-Opening: A Synthetic Route to Pyrrolo[1,2-a]quinolines and Indolizines","Journal of Organic Chemistry","2012","77","","8562","8573","10.1021/jo3015374","","","0.71073","MoKα","","0.071","0.0532","","","0.1211","0.1282","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027563","30.5692","0.0016","7.513","0.0003","17.2889","0.0008","90","","90.341","0.004","90","","3970.6","0.3","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 I N O3 -","- C24 H18 I N O3 -","- C192 H144 I8 N8 O24 -","8","1","","Trapti Aggarwal; Sonu Kumar; Devendra K. Dhaked; Rakesh K. Tiwari; Prasad V. Bharatam; Akhilesh K. Verma","Site-Selective Electrophilic Cyclization and Subsequent Ring-Opening: A Synthetic Route to Pyrrolo[1,2-a]quinolines and Indolizines","Journal of Organic Chemistry","2012","77","","8562","8573","10.1021/jo3015374","","","0.71073","MoKα","","0.0222","0.0195","","","0.0497","0.0505","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027564","13.2473","0.0003","11.0985","0.0002","30.004","0.0007","90","","90","","90","","4411.34","0.16","446","2","446","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H30 N2 O2 -","- C25 H30 N2 O2 -","- C200 H240 N16 O16 -","8","1","","Benjamin J. Pollock; Christos A. Sikes; Ryan P. Ter Louw; Scott R. Hawken; Amy L. Speelman; Eugene J. Lynch; Daniel J. Stanford; Kraig A. Wheeler; Jason G. Gillmore","Synthesis and Structural Investigation of an ""Oxazinoquinolinespirohexadienone"" That Only Exists as Its Long-Wavelength Ring-Opened Quinonimine Isomer","Journal of Organic Chemistry","2012","77","","8689","8695","10.1021/jo3016083","","","1.54178","CuKα","","0.1119","0.0538","","","0.1113","0.1354","","","","","","1.006","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027565","8.2964","0.0002","11.3994","0.0003","9.5886","0.0003","90","","90.87","0.001","90","","906.73","0.04","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H11 N O -","- C11 H11 N O -","- C44 H44 N4 O4 -","4","1","","Benjamin J. Pollock; Christos A. Sikes; Ryan P. Ter Louw; Scott R. Hawken; Amy L. Speelman; Eugene J. Lynch; Daniel J. Stanford; Kraig A. Wheeler; Jason G. Gillmore","Synthesis and Structural Investigation of an ""Oxazinoquinolinespirohexadienone"" That Only Exists as Its Long-Wavelength Ring-Opened Quinonimine Isomer","Journal of Organic Chemistry","2012","77","","8689","8695","10.1021/jo3016083","","","1.54178","CuKα","","0.0373","0.0345","","","0.0942","0.0967","","","","","","1.05","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027566","6.579","0.002","8.691","0.003","12.535","0.005","90","","97.438","0.007","90","","710.7","0.4","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Adán B. González-Pérez; Belén Vaz; Olalla Nieto Faza; Ángel R. de Lera","Mechanistic and Sterochemical Insights on the Pt-Catalyzed Rearrangement of Oxiranylpropargylic Esters to Cyclopentenones","Journal of Organic Chemistry","2012","77","","8733","8743","10.1021/jo301651r","","","0.71073","MoKα","","0.0763","0.0441","","","0.105","0.1258","","","","","","1.022","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027567","12.2137","0.0013","6.9492","0.0008","37.007","0.004","90","","96.598","0.002","90","","3120.2","0.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H22 O5 -","- C16 H22 O5 -","- C128 H176 O40 -","8","2","","Adán B. González-Pérez; Belén Vaz; Olalla Nieto Faza; Ángel R. de Lera","Mechanistic and Sterochemical Insights on the Pt-Catalyzed Rearrangement of Oxiranylpropargylic Esters to Cyclopentenones","Journal of Organic Chemistry","2012","77","","8733","8743","10.1021/jo301651r","","","0.71073","MoKα","","0.1013","0.0457","","","0.1105","0.1486","","","","","","1.02","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027568","28.679","0.002","5.3909","0.0004","21.5262","0.0016","90","","106.523","0.002","90","","3190.6","0.4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 F O -","- C19 H21 F O -","- C152 H168 F8 O8 -","8","1","","Xiaowei Lin; Feng Zheng; Feng-Ling Qing","Regio- and Diastereoselective Nickel-Catalyzed Allylation of Aromatic Aldehydes with α-Halo-β,β-difluoropropene Derivatives","Journal of Organic Chemistry","2012","77","","8696","8704","10.1021/jo301688d","","","0.71073","MoKα","","0.0562","0.0463","","","0.1205","0.1292","","","","","","1.037","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027569","15.587","0.002","6.0979","0.0008","11.5256","0.0015","90","","103.146","0.002","90","","1066.8","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H30 N2 O6 P2 -","- C18 H30 N2 O6 P2 -","- C36 H60 N4 O12 P4 -","2","0.5","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0431","0.0385","","","0.099","0.1021","","","","","","1.077","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027570","22.0358","0.0019","6.0237","0.0005","24.783","0.002","90","","90","","90","","3289.6","0.5","298","2","298","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C14 H22 N O5 P -","- C14 H22 N O5 P -","- C112 H176 N8 O40 P8 -","8","2","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0876","0.0802","","","0.1989","0.205","","","","","","1.168","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027571","5.5991","0.0008","10.837","0.0015","13.4812","0.0018","104.942","0.012","99.962","0.011","96.168","0.011","768.43","0.19","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H22 N O5 P -","- C13 H22 N O5 P -","- C26 H44 N2 O10 P2 -","2","1","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0691","0.0483","","","0.1229","0.1337","","","","","","1.081","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027572","8.0841","0.0011","6.8413","0.0009","20.348","0.003","90","","103.655","0.005","90","","1093.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O3 -","- C11 H15 N O3 -","- C44 H60 N4 O12 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.0787","0.0548","","","0.1325","0.1447","","","","","","1.058","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027573","11.605","0.003","20.308","0.005","10.711","0.003","90","","106.598","0.005","90","","2419.1","1.1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H27 N O2 -","- C31 H27 N O2 -","- C124 H108 N4 O8 -","4","1","","K. V. Sajna; K. C. Kumara Swamy","Vinyl Azides Derived from Allenes: Thermolysis Leading to Multisubstituted 1,4-Pyrazines and Mn(III)-Catalyzed Photochemical Reaction Leading to Pyrroles","Journal of Organic Chemistry","2012","77","","8712","8722","10.1021/jo301694n","","","0.71073","MoKα","","0.2527","0.1027","","","0.1558","0.1973","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027574","26.308","0.004","7.3631","0.0012","18.361","0.003","90","","127.008","0.002","90","","2840.2","0.8","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","anti-36","","","- C16 H13 F5 O2 -","- C16 H13 F5 O2 -","- C128 H104 F40 O16 -","8","1","","Peng Zhang; Christian Wolf","Synthesis of Pentafluorinated β-Hydroxy Ketones","Journal of Organic Chemistry","2012","77","","8840","8844","10.1021/jo3017583","","","0.71073","MoKα","","0.0406","0.034","","","0.084","0.0882","","","","","","1.122","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027575","10.6771","0.0002","10.6771","0.0002","21.568","0.0008","90","","90","","90","","2458.76","0.11","293","2","293","2","","","","","","","synthesis as described","3","P 41","P 4w","76","","","","- C27 H32 O7 -","- C27 H32 O7 -","- C108 H128 O28 -","4","1","","Jonathan M. Faber; Wilhelm A. Eger; Craig M. Williams","Enantioselective Total Synthesis of the Mexicanolides: Khayasin, Proceranolide, and Mexicanolide","Journal of Organic Chemistry","2012","77","","8913","8921","10.1021/jo301182f","","x-ray","1.5418","CuKα","","0.0415","0.0337","","","0.0838","0.0866","","","","","","1.034","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027576","8.0272","0.0004","25.3773","0.0012","9.6448","0.0004","90","","91.76","","90","","1963.8","0.16","293","2","293","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C19 H25 Br N O2.5 -","- C19 H25 Br N O2.5 -","- C76 H100 Br4 N4 O10 -","4","2","","Jonathan M. Faber; Wilhelm A. Eger; Craig M. Williams","Enantioselective Total Synthesis of the Mexicanolides: Khayasin, Proceranolide, and Mexicanolide","Journal of Organic Chemistry","2012","77","","8913","8921","10.1021/jo301182f","","x-ray","0.71073","MoKα","","0.135","0.0402","","","0.0631","0.0722","","","","","","0.702","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027577","16.43","0.002","5.3391","0.0008","21.585","0.003","90","","107.66","0.002","90","","1804.2","0.4","110","2","110","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","0.71073","MoKα","","0.0455","0.0379","","","0.0965","0.1025","","","","","","1.038","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027578","8.032","0.004","13.461","0.006","16.37","0.008","90","","90","","90","","1769.9","1.5","110","2","110","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 O5 -","- C20 H27 O5 -","- C80 H108 O20 -","4","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","1.54178","CuKα","","0.1025","0.0501","","","0.0779","0.0892","","","","","","1.005","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027579","12.689","0.007","12.547","0.007","11.914","0.007","90","","114.756","0.019","90","","1722.5","1.7","383","2","383","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H28 O5 -","- C20 H28 O5 -","- C80 H112 O20 -","4","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","1.54178","CuKα","","0.2899","0.0591","","","0.0681","0.1262","","","","","","1.007","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027580","7.1136","0.0009","10.69","0.0013","12.643","0.0016","88.659","0.009","86.896","0.009","70.776","0.009","906.5","0.2","110","2","110","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H26 O4 -","- C19 H26 O4 -","- C38 H52 O8 -","2","1","","Haoran Xue; Peddabuddi Gopal; Jiong Yang","Stereochemical Study of a Transannular Michael Reaction Cascade","Journal of Organic Chemistry","2012","77","","8933","8945","10.1021/jo301287z","","","1.54178","CuKα","","0.0521","0.0406","","","0.1015","0.1062","","","","","","1.05","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027581","8.1672","0.0009","12.5208","0.0019","12.8466","0.0018","62.988","0.004","87.794","0.005","89.783","0.005","1169.4","0.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H17 Cl3 N2 O -","- C28 H17 Cl3 N2 O -","- C56 H34 Cl6 N4 O2 -","2","1","","Marco Santella; Virginia Mazzanti; Martyn Jevric; Christian Richard Parker; Søren Lindbaek Broman; Andrew D. Bond; Mogens Brøndsted Nielsen","Dihydroazulene-Buckminsterfullerene Conjugates","Journal of Organic Chemistry","2012","77","","8922","8932","10.1021/jo301306y","","","0.71073","MoKα","","0.0781","0.0458","","","0.0986","0.1121","","","","","","1.017","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027582","15.7913","0.0015","10.545","0.0011","16.6502","0.0017","90","","90.77","0.006","90","","2772.3","0.5","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","MJ03","","","- C96 H22 I2 N4 -","- C96 H22 I2 N4 -","- C192 H44 I4 N8 -","2","0.5","","Marco Santella; Virginia Mazzanti; Martyn Jevric; Christian Richard Parker; Søren Lindbaek Broman; Andrew D. Bond; Mogens Brøndsted Nielsen","Dihydroazulene-Buckminsterfullerene Conjugates","Journal of Organic Chemistry","2012","77","","8922","8932","10.1021/jo301306y","","","0.71073","MoKα","","0.1036","0.0613","","","0.13","0.1453","","","","","","1.042","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027583","12.495","0.004","11.278","0.003","18.337","0.005","90","","99.091","0.006","90","","2551.6","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H22 Cl3 N3 O2 -","- C28 H22 Cl3 N3 O2 -","- C112 H88 Cl12 N12 O8 -","4","1","","Ming Li; Peng Shao; Shu-Wen Wang; Wei Kong; Li-Rong Wen","Four-Component Cascade Heteroannulation of Heterocyclic Ketene Aminals: Synthesis of Functionalized Tetrahydroimidazo[1,2-a]pyridine Derivatives","Journal of Organic Chemistry","2012","77","","8956","8967","10.1021/jo3013836","","","0.71073","MoKα","","0.1439","0.1141","","","0.1456","0.155","","","","","","1.286","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027584","8.852","0.005","7.722","0.005","26.705","0.005","90","0.005","93.784","0.005","90","0.005","1821.4","1.6","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","2-(thiophene-2-yl)-4-p-tolylnaphtho[2,3-b]thiophene","","- C21 H15 S2 -","- C23 H16 S2 -","- C92 H64 S8 -","4","1","","Ramakrishnan Sivasakthikumaran; Meganathan Nandakumar; Arasambattu K. Mohanakrishnan","Synthesis of Annulated Arenes and Heteroarenes Involving Lewis Acid-Mediated Regioselective Annulation of Unsymmetrical 1,2-(Diaryl/diheteroarylmethine)dipivalates","Journal of Organic Chemistry","2012","77","","9053","9071","10.1021/jo301410w","","","0.71073","MoKα","","0.0692","0.0388","","","0.0921","0.1103","","","","","","1.009","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027585","11.7061","0.0006","28.9651","0.0012","8.9072","0.0004","90","","90","","90","","3020.1","0.2","293","2","293","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","6-(thiophen-2-yl)benzo[b]naphtha[2,3-d]thiophene","","- C20 H12 S2 -","- C20 H12 S2 -","- C160 H96 S16 -","8","1","","Ramakrishnan Sivasakthikumaran; Meganathan Nandakumar; Arasambattu K. Mohanakrishnan","Synthesis of Annulated Arenes and Heteroarenes Involving Lewis Acid-Mediated Regioselective Annulation of Unsymmetrical 1,2-(Diaryl/diheteroarylmethine)dipivalates","Journal of Organic Chemistry","2012","77","","9053","9071","10.1021/jo301410w","","","0.71073","MoKα","","0.0666","0.0368","","","0.0877","0.1029","","","","","","1.04","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027586","9.0328","0.0006","10.9285","0.0008","11.0232","0.0008","105.619","0.004","95.63","0.004","111.055","0.004","954.75","0.12","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","7-phenylanthra[2,3-d]benzo[b]thiophene","","- C26 H16 S -","- C26 H16 S -","- C52 H32 S2 -","2","1","","Ramakrishnan Sivasakthikumaran; Meganathan Nandakumar; Arasambattu K. Mohanakrishnan","Synthesis of Annulated Arenes and Heteroarenes Involving Lewis Acid-Mediated Regioselective Annulation of Unsymmetrical 1,2-(Diaryl/diheteroarylmethine)dipivalates","Journal of Organic Chemistry","2012","77","","9053","9071","10.1021/jo301410w","","","0.71073","MoKα","","0.119","0.1067","","","0.3673","0.3877","","","","","","1.747","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027587","10.735","0.006","16.83","0.008","19.618","0.009","90","","95.45","0.02","90","","3528","3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H54 Se6 -","- C30 H54 Se6 -","- C120 H216 Se24 -","4","1","","Dayna L. Turner; Thomas P. Vaid","Synthesis of Protected Benzenepolyselenols","Journal of Organic Chemistry","2012","77","","9397","9400","10.1021/jo301447h","","","0.71073","MoKα","","0.1263","0.0702","","","","0.2174","","","","","","0.992","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027588","10.6088","0.0009","11.2696","0.0012","15.5586","0.0015","70.237","0.008","85.636","0.007","77.221","0.007","1707.2","0.3","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H38 N3 O10 -","- C36 H38 N3 O10 -","- C72 H76 N6 O20 -","2","1","","Michael A. Terzidis; Tryfon Zarganes-Tzitzikas; Constantinos Tsimenidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Five-Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid-Catalyzed Rearrangement","Journal of Organic Chemistry","2012","77","","9018","9028","10.1021/jo3014947","","","0.71073","MoKα","","0.0651","0.0396","","","0.0803","0.0838","","","","","","1.04","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027589","18.019","0.004","15.495","0.003","23.592","0.005","90","","90","","90","","6587","2","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C32 H34 Cl N3 O10 -","- C32 H34 Cl N3 O10 -","- C256 H272 Cl8 N24 O80 -","8","1","","Michael A. Terzidis; Tryfon Zarganes-Tzitzikas; Constantinos Tsimenidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Five-Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid-Catalyzed Rearrangement","Journal of Organic Chemistry","2012","77","","9018","9028","10.1021/jo3014947","","","0.71073","MoKα","","0.1753","0.1529","","","0.3297","0.338","","","","","","1.111","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027590","12.4645","0.0013","14.0496","0.001","18.536","0.002","90","","104.63","0.008","90","","3140.8","0.5","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H35 N3 O10 -","- C32 H35 N3 O10 -","- C128 H140 N12 O40 -","4","1","","Michael A. Terzidis; Tryfon Zarganes-Tzitzikas; Constantinos Tsimenidis; Julia Stephanidou-Stephanatou; Constantinos A. Tsoleridis; George E. Kostakis","One-Pot Five-Component Synthesis of Spirocyclopenta[b]chromene Derivatives and Their Acid-Catalyzed Rearrangement","Journal of Organic Chemistry","2012","77","","9018","9028","10.1021/jo3014947","","","0.71073","MoKα","","0.0984","0.0479","","","0.097","0.1029","","","","","","0.967","","","","has coordinates,has disorder","178454","2020-10-21","18:00:00",""
"4027591","11.759","0.002","13.661","0.003","13.815","0.003","73.33","0.03","67.47","0.03","83.35","0.03","1963.7","0.9","240","2","240","2","","","","","","","synthesis","4","P 1","P 1","1","cyclo(Leu-D-Leu-Aib)2","","","- C33 H62 N6 O7 -","- C33 H62 N6 O7 -","- C66 H124 N12 O14 -","2","2","","Yosuke Demizu; Saori Nagoya; Mitsunobu Doi; Yukiko Sato; Masakazu Tanaka; Masaaki Kurihara","Twisted Structure of a Cyclic Hexapeptide Containing a Combination of Alternating l-Leu-d-Leu-Aib Segments","Journal of Organic Chemistry","2012","77","","9361","9365","10.1021/jo301509c","","","0.71073","MoKα","","0.0919","0.0774","","","0.2134","0.2288","","","","","","1.022","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027592","8.073","0.007","17.079","0.014","18.725","0.015","90","","90","","90","","2582","4","293","2","293","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C26 H33 N3 O S Si -","- C26 H33 N3 O S Si -","- C104 H132 N12 O4 S4 Si4 -","4","1","","Yu Peng; Yu-Man Dong; Ming Dong; Ya-Wen Wang","A Selective, Sensitive, Colorimetric, and Fluorescence Probe for Relay Recognition of Fluoride and Cu(II) Ions with ""Off-On-Off"" Switching in Ethanol-Water Solution","Journal of Organic Chemistry","2012","77","","9072","9080","10.1021/jo301548v","","","0.71073","MoKα","","0.1054","0.0772","","","0.1852","0.2119","","","","","","1.035","","","","has coordinates","178454","2020-10-21","18:00:00",""
"4027593","14.6652","0.0005","14.6652","0.0005","7.5699","0.0003","90","","90","","90","","1628.04","0.1","173.1","","173.1","","","","","","","","","5","P 42/n :2","-P 4bc","86","","","","- C20 H44 Cu4 I4 N4 -","- C20 H44 Cu4 I4 N4 -","- C40 H88 Cu8 I8 N8 -","2","0.25","","Mingwen Zhu; Ken-ichi Fujita; Ryohei Yamaguchi","Aerobic Oxidative Amidation of Aromatic and Cinnamic Aldehydes with Secondary Amines by CuI/2-Pyridonate Catalytic System","Journal of Organic Chemistry","2012","77","","9102","9109","10.1021/jo301553v","","","0.71075","MoKα","","","0.032","","","","0.0337","","","","","","0.996","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027594","16.1631","0.0003","17.2094","0.0004","18.0568","0.0003","90","","106.224","0.002","90","","4822.61","0.17","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51.5 H59.5 N6 O6 Pd -","- C51.5 H59.5 N6 O6 Pd -","- C206 H238 N24 O24 Pd4 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.7107","MoKα","","0.069","0.0465","","","0.1416","0.1468","","","","","","1.223","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027595","6.8234","0.0002","9.2369","0.0002","9.4964","0.0002","80.708","0.001","74.517","0.001","79.485","0.001","563.09","0.02","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C30 H24 N4 O2 -","2","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0515","0.0424","","","0.1076","0.1145","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027596","7.8322","0.0002","17.051","0.0004","9.8396","0.0002","90","","111.932","0.001","90","","1218.95","0.05","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0807","0.0467","","","0.1102","0.1253","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027597","7.094","0.0003","10.3688","0.0004","16.6945","0.0008","90","","90","","90","","1227.99","0.09","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0475","0.0368","","","0.0825","0.0868","","","","","","1.306","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027598","10.3353","0.0002","19.1288","0.0004","7.0464","0.0001","90","","97.652","0.001","90","","1380.68","0.04","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H15 N -","- C19 H15 N -","- C76 H60 N4 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0599","0.048","","","0.1264","0.1336","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027599","7.2403","0.0015","9.903","0.002","17.387","0.004","90","","90","","90","","1246.7","0.5","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H15 N -","- C16 H15 N -","- C64 H60 N4 -","4","1","","Debkumar Nandi; Yang-Ming Jhou; Jhen-Yi Lee; Bing-Chiuan Kuo; Chien-Yu Liu; Pei-Wen Huang; Hon Man Lee","Pd(0)-Catalyzed Decarboxylative Coupling and Tandem C-H Arylation/Decarboxylation for the Synthesis of Heteroaromatic Biaryls","Journal of Organic Chemistry","2012","77","","9384","9390","10.1021/jo3015837","","x-ray","0.71073","MoKα","","0.0866","0.0435","","","0.1029","0.1234","","","","","","0.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027600","8.7269","0.0011","19.5851","0.0017","10.0288","0.0006","90","","101.028","0.008","90","","1682.4","0.3","295","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H19 N3 O -","- C20 H19 N3 O -","- C80 H76 N12 O4 -","4","1","","Mikhail V. Varaksin; Irina A. Utepova; Oleg N. Chupakhin; Valery N. Charushin","Palladium(II)-Catalyzed Oxidative C-H/C-H Coupling and Eliminative SNH Reactions in Direct Functionalization of Imidazole Oxides with Indoles","Journal of Organic Chemistry","2012","77","","9087","9093","10.1021/jo301618b","","","0.71073","MoKα","","0.102","0.0325","","","0.0365","0.039","","","","","","0.987","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027601","7.0534","0.0007","9.6657","0.001","13.8868","0.0014","84.001","0.008","77.75","0.009","74.099","0.009","888.71","0.16","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C21 H21 N3 -","- C21 H21 N3 -","- C42 H42 N6 -","2","1","","Mikhail V. Varaksin; Irina A. Utepova; Oleg N. Chupakhin; Valery N. Charushin","Palladium(II)-Catalyzed Oxidative C-H/C-H Coupling and Eliminative SNH Reactions in Direct Functionalization of Imidazole Oxides with Indoles","Journal of Organic Chemistry","2012","77","","9087","9093","10.1021/jo301618b","","","0.71073","MoKα","","0.1356","0.0403","","","0.0652","0.072","","","","","","1","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027602","15.7466","0.0017","15.9485","0.0018","8.156","0.001","90","","90","","90","","2048.3","0.4","173","2","173","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C28 H24 N2 -","- C28 H24 N2 -","- C112 H96 N8 -","4","1","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0411","0.0398","","","0.0914","0.092","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027603","12.5742","0.0014","10.484","0.0011","14.8433","0.0015","90","0.001","96.8734","0.001","90","0.001","1942.7","0.4","153","2","153","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C46 H56 N2 -","- C46 H56 N2 -","- C92 H112 N4 -","2","1","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0593","0.0555","","","0.127","0.1292","","","","","","1.119","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027604","11.3501","0.0009","10.9536","0.0008","15.5409","0.0013","90","0.001","97.3418","0.0011","90","0.001","1916.3","0.3","153","2","153","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C46 H58 N2 -","- C46 H58 N2 -","- C92 H116 N4 -","2","0.5","","Shin-ichiro Kato; Hiroto Noguchi; Atsushi Kobayashi; Toshitada Yoshihara; Seiji Tobita; Yosuke Nakamura","Bicarbazoles: Systematic Structure-Property Investigations on a Series of Conjugated Carbazole Dimers","Journal of Organic Chemistry","2012","77","","9120","9133","10.1021/jo3016538","","","0.7107","MoKα","","0.0558","0.0538","","","0.1337","0.1354","","","","","","1.122","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027605","9.0364","0.0004","9.0364","0.0004","14.7769","0.0009","90","","90","","90","","1206.63","0.11","293","2","293.15","","","","","","","","","6","P 41","P 4w","76","","","","- C13 H11 F N O S -","- C13 H10 F N O S -","- C52 H40 F4 N4 O4 S4 -","4","1","","Jun Li; Yunfei Cai; Weiliang Chen; Xiaohua Liu; Lili Lin; Xiaoming Feng","Highly Enantioselective Fluorination of Unprotected 3-Substituted Oxindoles: One-Step Synthesis of BMS 204352 (MaxiPost)","Journal of Organic Chemistry","2012","77","","9148","9155","10.1021/jo301705t","","","0.7107","MoKα","","0.0638","0.0475","","","0.1087","0.1229","","","","","","1.067","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027606","9.689","0.006","10.771","0.007","10.909","0.007","83.523","0.006","72.003","0.006","72.64","0.006","1033.2","1.1","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C29 H21 N -","- C29 H21 N -","- C58 H42 N2 -","2","1","","Xiao-Feng Xia; Ning Wang; Lu-Lu Zhang; Xian-Rong Song; Xue-Yuan Liu; Yong-Min Liang","Palladium(II)-Catalyzed Tandem Cyclization/C-H Functionalization of Alkynes for the Synthesis of Functionalized Indoles","Journal of Organic Chemistry","2012","77","","9163","9170","10.1021/jo301741j","","","0.71073","MoKα","","0.0918","0.0508","","","0.1091","0.1271","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027607","16.843","0.008","18.307","0.009","11.541","0.006","90","","105.894","0.005","90","","3423","3","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H18 F N -","- C24 H18 F N -","- C192 H144 F8 N8 -","8","1","","Xiao-Feng Xia; Ning Wang; Lu-Lu Zhang; Xian-Rong Song; Xue-Yuan Liu; Yong-Min Liang","Palladium(II)-Catalyzed Tandem Cyclization/C-H Functionalization of Alkynes for the Synthesis of Functionalized Indoles","Journal of Organic Chemistry","2012","77","","9163","9170","10.1021/jo301741j","","","0.71073","MoKα","","0.0887","0.0427","","","0.0962","0.127","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027608","10.68236","0.00019","3.83987","0.00007","12.9514","0.0002","90","","111.159","0.001","90","","495.436","0.015","95","2","95","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","FT-TF","5,5'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C24 H12 O4 S4 -","2","0.5","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0317","0.0311","","","0.0868","0.0873","","","","","","1.066","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027609","10.3846","0.0002","20.5813","0.0004","4.71636","0.0001","90","","90","","90","","1008.02","0.03","95","2","95","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","TF-TF","2,5'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C48 H24 O8 S8 -","4","1","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0581","0.0384","","","0.0706","0.101","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027610","10.22625","0.0001","5.79315","0.0001","16.6887","0.0003","90","","90","","90","","988.68","0.03","95","2","95","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","TF-FT","2,2'-bithieno[3,2-b]furan","","- C12 H6 O2 S2 -","- C12 H6 O2 S2 -","- C48 H24 O8 S8 -","4","0.5","","John T. Henssler; Adam J. Matzger","Regiochemical Effects of Furan Substitution on the Electronic Properties and Solid-State Structure of Partial Fused-Ring Oligothiophenes","Journal of Organic Chemistry","2012","77","","9298","9303","10.1021/jo301744s","","","1.54187","CuKα","","0.0315","0.0299","","","0.0793","0.0806","","","","","","1.128","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027611","9.2917","0.001","18.442","0.002","19.455","0.002","90","","94.085","0.004","90","","3325.3","0.6","300","2","300","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H20 O7 -","- C15 H20 O7 -","- C120 H160 O56 -","8","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0625","0.0495","","","0.1361","0.1502","","","","","","0.986","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027612","7.8514","0.0009","10.0365","0.0011","17.1","0.002","90","","92.832","0.004","90","","1345.8","0.3","300","2","300","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 O7 -","- C12 H16 O7 -","- C48 H64 O28 -","4","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0535","0.0416","","","0.1224","0.1404","","","","","","1.012","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027613","9.2928","0.0013","9.495","0.0015","10.1967","0.0017","92.191","0.005","116.979","0.005","111.629","0.005","722.1","0.2","300","2","300","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C26 H36 O14 -","2","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0727","0.0535","","","0.1248","0.1358","","","","","","1.151","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027614","8.1652","0.0006","12.6259","0.0009","14.254","0.0011","90","","90","","90","","1469.49","0.19","300","2","300","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O7 -","- C13 H18 O7 -","- C52 H72 O28 -","4","1","","Jennifer R. Mazzone; Charles K. Zercher","Syntheses of Papyracillic Acids: Application of the Tandem Chain Extension-Acylation Reaction","Journal of Organic Chemistry","2012","77","","9171","9178","10.1021/jo3017617","","","0.71073","MoKα","","0.0387","0.0326","","","0.0807","0.0851","","","","","","1.031","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027615","22.2814","0.0005","22.3082","0.0005","23.4074","0.0005","89.896","0.002","74.785","0.002","88.907","0.002","11224.9","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C52 H56 Cl6 O11 -","- C52 H56 Cl6 O11 -","- C416 H448 Cl48 O88 -","8","4","","Luzhi Liu; Lingyun Wang; Changchun Liu; Zhiyong Fu; Herbert Meier; Derong Cao","Dimerization Control in the Self-Assembly Behavior of Copillar[5]arenes Bearing ω-Hydroxyalkoxy Groups","Journal of Organic Chemistry","2012","77","","9413","9417","10.1021/jo301779y","","","1.54178","CuKα","","0.1925","0.1741","","","0.4997","0.5424","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027616","8.139","0.002","18.435","0.005","11.81","0.004","90","","95.955","0.005","90","","1762.4","0.9","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.0828","0.0728","","","0.1576","0.1634","","","","","","1.204","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027617","13.333","0.003","8.0402","0.0016","14.989","0.003","90","","90","","90","","1606.8","0.6","173","2","173","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C22 H12 N2 -","- C22 H12 N2 -","- C88 H48 N8 -","4","0.5","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.0696","0.0655","","","0.137","0.1393","","","","","","1.212","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027618","8.4399","0.0017","9.5116","0.0019","23.546","0.005","90","","90","","90","","1890.2","0.7","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H18 O4 -","- C24 H18 O4 -","- C96 H72 O16 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.0499","0.0489","","","0.1241","0.1249","","","","","","1.144","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027619","13.114","0.003","23.968","0.005","9.0151","0.0018","90","","109","0.03","90","","2679.2","1.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H31 N3 O5 -","- C29 H31 N3 O5 -","- C116 H124 N12 O20 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.1265","0.1097","","","0.232","0.2412","","","","","","1.271","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027620","12.972","0.003","23.832","0.005","9.0202","0.0018","90","","109.28","0.03","90","","2632.2","1.1","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O4 -","- C30 H31 N3 O4 -","- C120 H124 N12 O16 -","4","1","","Peng-Fei Li; Chuan-Feng Chen","Synthesis, Structures, and Solid State Self-Assemblies of Formyl and Acetyl Substituted Triptycenes and Their Derivatives","Journal of Organic Chemistry","2012","77","","9250","9259","10.1021/jo301820v","","","0.71073","MoKα","","0.1991","0.1419","","","0.234","0.2582","","","","","","1.252","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027621","10.7081","0.0018","11.528","0.003","15.923","0.004","82.572","0.013","71.608","0.011","62.462","0.009","1653.5","0.7","153","","153","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 O P -","- C22 H15 O P -","- C88 H60 O4 P4 -","4","2","","Yoichiro Kuninobu; Takuya Yoshida; Kazuhiko Takai","Correction to Palladium-Catalyzed Synthesis of Dibenzophosphole Oxides via Intramolecular Dehydrogenative Cyclization","Journal of Organic Chemistry","2012","77","","9436","9436","10.1021/jo3021506","","","0.71075","MoKα","","","0.0549","","","","0.1479","","","","","","1.112","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027622","12.0996","0.0005","13.4499","0.0004","14.127","0.0006","90","","110.834","0.005","90","","2148.68","0.16","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H21 N -","- C30 H21 N -","- C120 H84 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0694","0.044","","","0.1018","0.1174","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027623","6.8494","0.0003","12.5402","0.0004","12.5449","0.0005","90","","96.212","0.004","90","","1071.19","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C30 H23 N -","- C30 H23 N -","- C60 H46 N2 -","2","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.046","0.0377","","","0.0818","0.088","","","","","","1.058","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027624","17.6833","0.001","8.4181","0.0004","18.4664","0.0009","90","","101.609","0.005","90","","2692.7","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C37 H27 N -","- C37 H27 N -","- C148 H108 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0797","0.0473","","","0.1086","0.1263","","","","","","1.013","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027625","8.7794","0.0003","14.9065","0.0006","16.4959","0.0007","75.161","0.003","75.409","0.003","88.174","0.003","2018.29","0.14","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 I N2 O2 -","- C24 H15 I N2 O2 -","- C96 H60 I4 N8 O8 -","4","2","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0548","0.043","","","0.1052","0.1117","","","","","","1.073","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027626","12.2313","0.0008","15.1198","0.0008","10.5013","0.0006","90","","96.38","0.006","90","","1930","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C26 H23 N -","- C26 H23 N -","- C104 H92 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0722","0.046","","","0.1137","0.1304","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027627","16.0637","0.0006","9.4505","0.0003","14.8945","0.0005","90","","100.187","0.003","90","","2225.49","0.13","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H23 N -","- C31 H23 N -","- C124 H92 N4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.063","0.0409","","","0.0946","0.1096","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027628","9.7999","0.0003","15.8866","0.0006","15.9762","0.0006","90","","101.335","0.004","90","","2438.77","0.15","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H22 I N O -","- C31 H22 I N O -","- C124 H88 I4 N4 O4 -","4","1","","Li Zhang; Yuanxun Zhu; Guangwei Yin; Ping Lu; Yanguang Wang","3-Alkenylation or 3-Alkylation of Indole with Propargylic Alcohols: Construction of 3,4-Dihydrocyclopenta[b]indole and 1,4-Dihydrocyclopenta[b]indole in the Presence of Different Catalysts","Journal of Organic Chemistry","2012","77","","9510","9520","10.1021/jo300339a","","","0.71073","MoKα","","0.0465","0.0322","","","0.07","0.0771","","","","","","1.062","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027629","8.6864","0.0005","17.6725","0.0012","20.2622","0.0013","90","","90","","90","","3110.5","0.3","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H47 N5 O8 -","- C27 H47 N5 O8 -","- C108 H188 N20 O32 -","4","1","","Diego Núñez-Villanueva; Lourdes Infantes; M. Teresa García-López; Rosario González-Muñiz; Mercedes Martín-Martínez","Azepane Quaternary Amino Acids As Effective Inducers of 310Helix Conformations","Journal of Organic Chemistry","2012","77","","9833","9839","10.1021/jo301379r","","","1.5418","CuKα","","0.0535","0.0523","","","0.1417","0.1433","","","","","","1.083","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027630","10.4087","0.0004","11.763","0.0003","22.0902","0.0007","90","","90","","90","","2704.67","0.15","292","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C15 H11 F2 N O Se -","- C15 H11 F2 N O Se -","- C120 H88 F16 N8 O8 Se8 -","8","2","","Shah Jaimin Balkrishna; Ch Durga Prasad; Piyush Panini; Michael R. Detty; Deepak Chopra; Sangit Kumar","Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols","Journal of Organic Chemistry","2012","77","","9541","9552","10.1021/jo301486c","","","0.71073","MoKα","","0.0449","0.0312","","","0.0534","0.0563","","","","","","0.939","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027631","9.0384","0.0003","7.883","0.0003","27.4231","0.0011","90","","90","","90","","1953.89","0.13","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H9 Br O2 -","- C10 H9 Br O2 -","- C80 H72 Br8 O16 -","8","1","","Shah Jaimin Balkrishna; Ch Durga Prasad; Piyush Panini; Michael R. Detty; Deepak Chopra; Sangit Kumar","Isoselenazolones as Catalysts for the Activation of Bromine: Bromolactonization of Alkenoic Acids and Oxidation of Alcohols","Journal of Organic Chemistry","2012","77","","9541","9552","10.1021/jo301486c","","","0.71073","MoKα","","0.0987","0.0387","","","0.0802","0.0968","","","","","","1.015","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027632","7.256","0.0006","19.1627","0.0017","12.7919","0.0011","90","","96.11","0.002","90","","1768.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H18 Fe O7 -","- C19 H18 Fe O7 -","- C76 H72 Fe4 O28 -","4","1","","G. Richard Stephenson; Caroline Roe; Christopher E. Anson","Stereochemical Requirements of Oxidative Cyclizations in Extended Iterative Organoiron-Mediated Routes to Alkaloids","Journal of Organic Chemistry","2012","77","","9684","9692","10.1021/jo301617f","","","0.71073","MoKα","","0.0401","0.0335","","","0.0811","0.0848","","","","","","1.033","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027633","12.145","0.003","16.906","0.004","18.104","0.004","68.923","0.004","84.618","0.004","78.411","0.004","3396.8","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C36.5 H41.5 Fe O7 Si -","- C36.5 H41.5 Fe O7 Si -","- C146 H166 Fe4 O28 Si4 -","4","2","","G. Richard Stephenson; Caroline Roe; Christopher E. Anson","Stereochemical Requirements of Oxidative Cyclizations in Extended Iterative Organoiron-Mediated Routes to Alkaloids","Journal of Organic Chemistry","2012","77","","9684","9692","10.1021/jo301617f","","","0.71073","MoKα","","0.0846","0.0601","","","0.1413","0.1568","","","","","","1.016","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027634","21.2199","0.0013","10.4053","0.0007","18.6446","0.0012","90","","108.283","0.001","90","","3908.9","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Fe O7 -","- C20 H22 Fe O7 -","- C160 H176 Fe8 O56 -","8","2","","G. Richard Stephenson; Caroline Roe; Christopher E. Anson","Stereochemical Requirements of Oxidative Cyclizations in Extended Iterative Organoiron-Mediated Routes to Alkaloids","Journal of Organic Chemistry","2012","77","","9684","9692","10.1021/jo301617f","","","0.71073","MoKα","","0.0525","0.0372","","","0.0859","0.0937","","","","","","1.031","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027635","7.521","0.0003","7.9161","0.0003","12.1346","0.0004","80.898","0.002","72.304","0.002","87.498","0.002","679.6","0.04","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","Pactamycate Ethanol Solvate","","","- C28 H37 N3 O9 -","- C28 H37 N3 O9 -","- C28 H37 N3 O9 -","1","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0326","0.0317","","","0.0841","0.0848","","","","","","1.046","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027636","13.6063","0.0002","9.6562","0.0001","14.2364","0.0003","90","","98.806","0.001","90","","1848.4","0.05","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C38 H51 N O6 Si2 -","- C38 H51 N O6 Si2 -","- C76 H102 N2 O12 Si4 -","2","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0322","0.0319","","","0.0794","0.0797","","","","","","1.075","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027637","26.146","0.002","26.146","0.002","9.7191","0.0008","90","","90","","120","","5754","0.8","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 61","P 61","169","","","","- C40 H42 Br N O7 Si -","- C40 H42 Br N O7 Si -","- C240 H252 Br6 N6 O42 Si6 -","6","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1643","0.1036","","","0.2734","0.2959","","","","","","1.086","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027638","29.813","0.004","9.5757","0.0016","11.6715","0.0018","90","","111.443","0.008","90","","3101.3","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","C 1 2 1","C 2y","5","","","","- C31 H33 N3 O9 -","- C31 H33 N3 O9 -","- C124 H132 N12 O36 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1183","0.0951","","","0.2455","0.2649","","","","","","1.09","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027639","15.7089","0.0005","9.9523","0.0003","19.9434","0.0007","90","","112.017","0.002","90","","2890.56","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C31 H32 N4 O4 Si -","- C31 H32 N4 O4 Si -","- C124 H128 N16 O16 Si4 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0399","0.0371","","","0.0935","0.0958","","","","","","1.03","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027640","8.8316","0.0003","10.0485","0.0003","36.6755","0.001","90","","90","","90","","3254.74","0.17","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H37 N O7 Si -","- C34 H37 N O7 Si -","- C136 H148 N4 O28 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0322","0.0307","","","0.0837","0.0846","","","","","","1.052","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027641","7.0802","0.0001","34.2482","0.0004","7.5495","0.0001","90","","92.706","0.001","90","","1828.59","0.04","200","","200","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C17 H22 N4 O6 -","- C17 H22 N4 O6 -","- C68 H88 N16 O24 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0374","0.0364","","","0.096","0.097","","","","","","1.033","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027642","17.8975","0.0007","7.3027","0.0003","28.5293","0.0011","90","","103.955","0.002","90","","3618.7","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","5","C 1 2 1","C 2y","5","","","","- C33 H38 N4 O5 Si -","- C33 H38 N4 O5 Si -","- C132 H152 N16 O20 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0643","0.0612","","","0.1641","0.1676","","","","","","1.048","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027643","18.9799","0.0018","28.093","0.003","6.3717","0.0006","90","","90","","90","","3397.4","0.6","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 2","P 2 2ab","18","","","","- C32 H32 Br N5 O7 -","- C32 H32 Br N5 O7 -","- C128 H128 Br4 N20 O28 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0689","0.0494","","","0.1128","0.1211","","","","","","0.876","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027644","15.119","0.0019","8.9169","0.0011","40.931","0.004","90","","90.158","0.005","90","","5518.1","1.1","150","","150","","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C43 H49 N5 O7 Si -","- C43 H49 N5 O7 Si -","- C172 H196 N20 O28 Si4 -","4","2","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.1431","0.0847","","","0.2097","0.225","","","","","","0.876","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027645","11.312","0.0002","18.9201","0.0003","22.2551","0.0004","90","","90","","90","","4763.13","0.14","200","","200","","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C51 H62 N6 O5 Si -","- C51 H62 N6 O5 Si -","- C204 H248 N24 O20 Si4 -","4","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0362","0.0343","","","0.0911","0.0924","","","","","","1.024","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027646","6.2487","0.0002","12.2923","0.0004","13.6193","0.0005","113.238","0.002","90.23","0.002","101.336","0.002","938.62","0.06","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1","P 1","1","","","","- C41 H48 N6 O6 -","- C41 H48 N6 O6 -","- C41 H48 N6 O6 -","1","1","","Stephen Hanessian; Ramkrishna Reddy Vakiti; Stéphane Dorich; Shyamapada Banerjee; Benoît Deschênes-Simard","Total Synthesis of Pactamycin and Pactamycate: A Detailed Account","Journal of Organic Chemistry","2012","77","","9458","9472","10.1021/jo301638z","","","1.54178","CuKα","","0.0408","0.0397","","","0.1086","0.1097","","","","","","1.037","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027647","5.6718","0.0002","7.7144","0.0004","8.1495","0.0003","68.847","0.003","80.1","0.003","71.118","0.003","314.04","0.02","123","2","123","2","","","","","","","","4","P -1","-P 1","2","","","","- C6 H7 N3 O -","- C6 H7 N3 O -","- C12 H14 N6 O2 -","2","1","","Borys Ośmiałowski; Erkki Kolehmainen; Satu Ikonen; Arto Valkonen; Adam Kwiatkowski; Izabela Grela; Esa Haapaniemi","2-Acylamino- and 2,4-Bis(acylamino)pyrimidines as Supramolecular Synthons Analyzed by Multiple Noncovalent Interactions. DFT, X-ray Diffraction, and NMR Spectral Studies","Journal of Organic Chemistry","2012","77","","9609","9619","10.1021/jo301643z","","","0.71073","MoKα","","0.0535","0.0508","","","0.1374","0.1413","","","","","","1.062","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027648","15.5349","0.0005","8.4134","0.0003","10.0678","0.0003","90","","94.753","0.002","90","","1311.35","0.07","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H19 N3 O -","- C15 H19 N3 O -","- C60 H76 N12 O4 -","4","1","","Borys Ośmiałowski; Erkki Kolehmainen; Satu Ikonen; Arto Valkonen; Adam Kwiatkowski; Izabela Grela; Esa Haapaniemi","2-Acylamino- and 2,4-Bis(acylamino)pyrimidines as Supramolecular Synthons Analyzed by Multiple Noncovalent Interactions. DFT, X-ray Diffraction, and NMR Spectral Studies","Journal of Organic Chemistry","2012","77","","9609","9619","10.1021/jo301643z","","","0.71073","MoKα","","0.0559","0.0421","","","0.1007","0.1093","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027649","10.213","0.002","5.204","0.001","15.962","0.003","90","","100.28","0.03","90","","834.7","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","Phaeosphaeride A - RRR Enantiomer","","- C15 H23 N O5 -","- C15 H23 N O5 -","- C30 H46 N2 O10 -","2","1","","Anthoula Chatzimpaloglou; Maria P. Yavropoulou; Karien E. Rooij; Ralf Biedermann; Uwe Mueller; Stefan Kaskel; Vasiliki Sarli","Total Synthesis and Biological Activity of the Proposed Structure of Phaeosphaeride A","Journal of Organic Chemistry","2012","77","","9659","9667","10.1021/jo301662e","","","0.88561","synchrotron","","0.1225","0.0778","","","0.1906","0.2191","","","","","","1.045","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027650","13.6137","0.0003","13.6137","0.0003","30.6199","0.0007","90","","90","","120","","4914.58","0.19","228","2","228","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C29 H44 N6 O7.5 -","- C29 H44 N6 O7.5 -","- C174 H264 N36 O45 -","6","1","","Sujeewa Ranatunga; Chih-Hang Anthony Tang; Chih-Chi Andrew Hu; Juan R. Del Valle","Total Synthesis and Structural Revision of Lucentamycin A","Journal of Organic Chemistry","2012","77","","9859","9864","10.1021/jo301723y","","","1.54178","CuKα","","0.0488","0.0436","","","0.1126","0.1166","","","","","","1.068","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027651","16.16","0.003","22.878","0.005","24.983","0.005","68.42","0.03","79.56","0.02","89.95","0.03","8425","4","446","2","446","2","","","","","","","","4","P -1","-P 1","2","","","","- C166 H246 N2 O14 -","- C166 H246 N2 O14 -","- C332 H492 N4 O28 -","2","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.77491","","","0.1658","0.1603","","","0.3719","0.3766","","","","","","1.204","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027652","12.3541","0.0002","28.8342","0.0006","24.1281","0.0007","90","","96.993","0.002","90","","8531","0.3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C84.5 H117 Cl3 N1.25 O15 -","- C84.6 H116.9 Cl3 N1.3 O15 -","- C338.4 H467.6 Cl12 N5.2 O60 -","4","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.85","","","0.0841","0.0822","","","0.2254","0.2273","","","","","","0.981","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027653","21.68","0.01","19.1","0.02","24.02","0.01","90","","107.42","0.02","90","","9490","12","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C93 H143 F12 N O11 -","- C93 H139.7 F12 N O11 -","- C372 H558.8 F48 N4 O44 -","4","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.8","","","0.0894","0.0833","","","0.2342","0.2406","","","","","","1.04","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027654","23.01","","18.23","","22","","90","","90","","90","","9228.39","","293","2","293","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C89.5 H126.5 F6.5 N O17.25 -","- C89.4 H120.6 F6.6 N O17.2 -","- C357.6 H482.4 F26.4 N4 O68.8 -","4","1","","Calogero Capici; Giuseppe Gattuso; Anna Notti; Melchiorre F. Parisi; Sebastiano Pappalardo; Giovanna Brancatelli; Silvano Geremia","Selective Amine Recognition Driven by Host-Guest Proton Transfer and Salt Bridge Formation","Journal of Organic Chemistry","2012","77","","9668","9675","10.1021/jo301730m","","","0.88561","","","0.0957","0.0837","","","0.2139","0.2271","","","","","","1.077","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027655","9.1808","0.0018","9.5375","0.0019","9.6144","0.0019","92.649","0.003","99.211","0.003","105.921","0.003","795.5","0.3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H16 N2 O2 -","- C19 H16 N2 O2 -","- C38 H32 N4 O4 -","2","1","","Qinghe Gao; Yanping Zhu; Mi Lian; Meicai Liu; Jingjing Yuan; Guodong Yin; Anxin Wu","Unexpected C-C Bond Cleavage: A Route to 3,6-Diarylpyridazines and 6-Arylpyridazin-3-ones from 1,3-Dicarbonyl Compounds and Methyl Ketones","Journal of Organic Chemistry","2012","77","","9865","9870","10.1021/jo301751e","","","0.71073","MoKα","","0.0653","0.0562","","","0.1774","0.1924","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027656","27.691","0.009","5.7527","0.0018","7.609","0.003","90","","103.635","0.005","90","","1177.9","0.7","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C64 H48 N8 -","4","0.5","","Qinghe Gao; Yanping Zhu; Mi Lian; Meicai Liu; Jingjing Yuan; Guodong Yin; Anxin Wu","Unexpected C-C Bond Cleavage: A Route to 3,6-Diarylpyridazines and 6-Arylpyridazin-3-ones from 1,3-Dicarbonyl Compounds and Methyl Ketones","Journal of Organic Chemistry","2012","77","","9865","9870","10.1021/jo301751e","","","0.71073","MoKα","","0.058","0.0459","","","0.1065","0.1123","","","","","","1.043","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027657","14.132","0.004","14.31","0.004","15.368","0.004","64.256","0.006","84.342","0.007","64.504","0.006","2511.8","1.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","hexamidemacrocycle dichloroethane solvate","","","- C82 H74 Cl16 N6 O18 S6 -","- C74 H94 Cl7.876 N6 O18 S6 -","- C74 H94 Cl7.876 N6 O18 S6 -","1","0.5","","Thien H. Ngo; Hülya Berndt; Dieter Lentz; Hans-Ulrich Reissig","Linear and Cyclic Amides with a Thiophene Backbone: Ultrasound-Promoted Synthesis and Crystal Structures","Journal of Organic Chemistry","2012","77","","9676","9683","10.1021/jo3017605","","","0.71073","MoKα","","0.0794","0.0577","","","0.1577","0.169","","","","","","1.096","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027658","14.191","0.004","14.2","0.004","15.362","0.004","62.692","0.007","70.565","0.007","61.665","0.006","2394.8","1.2","133","2","133","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H62 Cl20 N6 O18 S6 -","- C68 H82 Cl4 N6 O18 S6 -","- C68 H82 Cl4 N6 O18 S6 -","1","0.5","","Thien H. Ngo; Hülya Berndt; Dieter Lentz; Hans-Ulrich Reissig","Linear and Cyclic Amides with a Thiophene Backbone: Ultrasound-Promoted Synthesis and Crystal Structures","Journal of Organic Chemistry","2012","77","","9676","9683","10.1021/jo3017605","","","0.71073","MoKα","","0.1308","0.0814","","","0.2118","0.2335","","","","","","1.057","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027659","10.0468","0.0005","23.7447","0.0011","10.5822","0.0005","90","","92.383","0.003","90","","2522.3","0.2","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 Cl3 N O2 S -","- C25 H28 Cl3 N O2 S -","- C100 H112 Cl12 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0682","0.0599","","","0.1422","0.1473","","","","","","1.051","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027660","23.5879","0.001","10.0828","0.0005","20.9187","0.001","90","","102.153","0.003","90","","4863.6","0.4","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C26 H30 Cl N O2 S -","- C26 H30 Cl N O2 S -","- C208 H240 Cl8 N8 O16 S8 -","8","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0835","0.0592","","","0.1469","0.1615","","","","","","1.047","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027661","10.139","0.0014","10.6335","0.0016","12.1689","0.0018","85.808","0.003","71.051","0.002","86.101","0.003","1236.2","0.3","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H32 Cl N O2 S -","- C27 H32 Cl N O2 S -","- C54 H64 Cl2 N2 O4 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0561","0.0469","","","0.1339","0.1476","","","","","","1.061","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027662","6.4264","0.0002","9.032","0.0003","39.7647","0.0015","90","","92.139","0.001","90","","2306.46","0.14","293","2","293","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Br Cl N O2 S -","- C24 H25 Br Cl N O2 S -","- C96 H100 Br4 Cl4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1942","0.1333","","","0.3366","0.3696","","","","","","1.079","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027663","8.348","0.0002","17.558","0.0004","9.6511","0.0003","90","","115.451","0.001","90","","1277.32","0.06","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H30 Cl N O4 S -","- C27 H30 Cl N O4 S -","- C54 H60 Cl2 N2 O8 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0757","0.0589","","","0.1541","0.1666","","","","","","1.102","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027664","13.7061","0.0005","8.9543","0.0004","18.3545","0.0007","90","","96.517","0.002","90","","2238.06","0.16","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 Br N O2 S -","- C24 H26 Br N O2 S -","- C96 H104 Br4 N4 O8 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0538","0.0387","","","0.1004","0.1149","","","","","","1.099","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027665","11.0271","0.0013","18.617","0.002","12.3609","0.0016","90","","113.634","0.002","90","","2324.7","0.5","200","2","200","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H25 Cl N2 O4 S -","- C24 H25 Cl N2 O4 S -","- C96 H100 Cl4 N8 O16 S4 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0694","0.0524","","","0.1329","0.1454","","","","","","1.027","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027666","12.578","0.005","6.194","0.002","14.866","0.006","90","","108.503","0.01","90","","1098.3","0.7","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl N O3 S -","- C25 H28 Cl N O3 S -","- C50 H56 Cl2 N2 O6 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1117","0.0555","","","0.0923","0.1233","","","","","","0.987","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027667","8.6695","0.0002","12.6691","0.0004","14.089","0.0004","97.409","0.001","97.279","0.001","91.611","0.001","1520.62","0.07","200","2","200","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 Cl O -","- C18 H21 Cl O -","- C72 H84 Cl4 O4 -","4","2","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0535","0.0468","","","0.1383","0.1474","","","","","","1.013","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027668","12.1863","0.0005","10.7876","0.0005","16.784","0.0006","90","","131.872","0.002","90","","1643","0.13","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 Cl O2 -","- C19 H23 Cl O2 -","- C76 H92 Cl4 O8 -","4","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1026","0.0672","","","0.19","0.2311","","","","","","1.11","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027669","30.0806","0.0006","6.4962","0.0002","27.0302","0.0008","90","","122.762","0.001","90","","4441.7","0.2","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H26 I N O2 S -","- C24 H26 I N O2 S -","- C192 H208 I8 N8 O16 S8 -","8","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.1032","0.0565","","","0.1085","0.1266","","","","","","1.047","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027670","12.813","0.004","6.246","0.002","15.497","0.005","90","","110.299","0.004","90","","1163.2","0.6","200","2","200","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 I N O3 S -","- C25 H28 I N O3 S -","- C50 H56 I2 N2 O6 S2 -","2","1","","Ming-Chang P. Yeh; Chia-Jung Liang; Chern-Wei Fan; Wei-Hang Chiu; Jun-Yuan Lo","Synthesis of 2-Azaspiro[4.6]undec-7-enes from N-Tosyl-N-(3-arylpropargyl)-Tethered 3-Methylcyclohex-2-en-1-ols","Journal of Organic Chemistry","2012","77","","9707","9717","10.1021/jo301764g","","","0.71073","MoKα","","0.0594","0.0472","","","0.1122","0.1209","","","","","","1.024","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027671","5.6171","0.0004","8.6157","0.0008","26.29","0.003","90","","90","","90","","1272.3","0.2","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O2 S -","- C13 H17 N O2 S -","- C52 H68 N4 O8 S4 -","4","1","","Cristian Mollar; Carmen Ramirez de Arellano; Mercedes Medio-Simón; Gregorio Asensio","Switchable Palladium-Catalyst Reaction of Bromomethyl Sulfoxides, CO, and N-Nucleophiles: Aminocarbonylation at Csp3 versus Oxidative Carbonylation of Amines","Journal of Organic Chemistry","2012","77","","9693","9701","10.1021/jo301778n","","","0.71073","MoKα","","0.0401","0.0359","","","0.0852","0.0891","","","","","","1.085","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027672","7.4864","0.0005","9.6715","0.0005","10.1691","0.0004","90","","90.966","0.004","90","","736.19","0.07","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H17 N O2 S -","- C16 H17 N O2 S -","- C32 H34 N2 O4 S2 -","2","1","","Cristian Mollar; Carmen Ramirez de Arellano; Mercedes Medio-Simón; Gregorio Asensio","Switchable Palladium-Catalyst Reaction of Bromomethyl Sulfoxides, CO, and N-Nucleophiles: Aminocarbonylation at Csp3 versus Oxidative Carbonylation of Amines","Journal of Organic Chemistry","2012","77","","9693","9701","10.1021/jo301778n","","","0.71073","MoKα","","0.0485","0.0412","","","0.0913","0.0971","","","","","","1.037","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027673","16.439","0.002","8.9834","0.0007","18.551","0.002","90","","90","","90","","2739.6","0.5","123.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Takahiro Soeta; Shuhei Fujinami; Yutaka Ukaji","Chlorosilane-Promoted Addition Reaction of Isocyanides to 3,4-Dihydroisoquinoline N-Oxides","Journal of Organic Chemistry","2012","77","","9878","9883","10.1021/jo301791m","","","0.7107","MoKα","","","0.0403","","","","0.0554","","","","","","1.075","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027674","22.874","0.003","14.556","0.002","12.493","0.0012","90","","94.773","0.009","90","","4145.2","0.9","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H22 N O3 -","- C25 H21 N O4 -","- C200 H168 N8 O32 -","8","1","","Zenghui Lu; Weijian Cui; Siyuan Xia; Yihui Bai; Fang Luo; Gangguo Zhu","Preparation of 3,4,5-Trisubstituted Oxazolones by Pd-Catalyzed Coupling of N-Alkynyltert-Butyloxycarbamates with Aryl Halides and Related Electrophiles","Journal of Organic Chemistry","2012","77","","9871","9877","10.1021/jo301794w","","","0.71073","MoKα","","0.1317","0.0583","","","0.1641","0.2205","","","","","","0.87","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027675","6.9736","0.0002","17.1873","0.0006","15.2945","0.0005","90","","97.093","0.002","90","","1819.13","0.1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H17 N O2 -","- C24 H17 N O2 -","- C96 H68 N4 O8 -","4","1","","Zenghui Lu; Weijian Cui; Siyuan Xia; Yihui Bai; Fang Luo; Gangguo Zhu","Preparation of 3,4,5-Trisubstituted Oxazolones by Pd-Catalyzed Coupling of N-Alkynyltert-Butyloxycarbamates with Aryl Halides and Related Electrophiles","Journal of Organic Chemistry","2012","77","","9871","9877","10.1021/jo301794w","","","0.71073","MoKα","","0.0639","0.0396","","","0.1005","0.1148","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027676","11.2632","0.0016","4.6207","0.0006","13.8939","0.0017","90","","110.966","0.003","90","","675.22","0.15","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H13 Cl O2 -","- C16 H13 Cl O2 -","- C32 H26 Cl2 O4 -","2","1","","Hanchao Cheng; Dingqiao Yang","Iridium-Catalyzed Asymmetric Ring-Opening of Oxabenzonorbornadienes with Phenols","Journal of Organic Chemistry","2012","77","","9756","9765","10.1021/jo3018507","","","0.71073","MoKα","","0.0395","0.0349","","","0.1006","0.1061","","","","","","1.111","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027677","13.1243","0.0004","4.763","0.0001","15.8937","0.0006","90","","111.415","0.001","90","","924.94","0.05","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","arx","3,4,5,6-tetrahydro-1H-benzo[b]azocin-2-one","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.0506","0.0404","","","0.1032","0.1118","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027678","7.4984","0.0001","9.8472","0.0001","25.9083","0.0003","90","","90","","90","","1913.02","0.04","293","2","293","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","ar99","1,4,5,6-tetrahydro-2H-benzo[c]azocin-3-one","","- C11 H13 N O -","- C11 H13 N O -","- C88 H104 N8 O8 -","8","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.056","0.0418","","","0.115","0.1254","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027679","12.0179","0.0004","7.871","0.0003","12.0993","0.0006","90","","115.665","0.001","90","","1031.59","0.07","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","a99me","2-methyl-1,4,5,6-tetrahydro-2H-benzo[c]azocin-3-one","","- C12 H15 N O -","- C12 H15 N O -","- C48 H60 N4 O4 -","4","1","","Agnieszka Witosińska; Bogdan Musielak; Paweł Serda; Maria Owińska; Barbara Rys","Conformation of Eight-Membered Benzoannulated Lactams by Combined NMR and DFT Studies","Journal of Organic Chemistry","2012","77","","9784","9794","10.1021/jo301859h","","x-ray","0.71073","MoKα","","0.0643","0.0445","","","0.1027","0.1162","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027680","7.0434","0.0003","15.9831","0.0007","9.6404","0.0004","90","","109.773","0.003","90","","1021.28","0.08","295","2","295","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 Cl2 Cu F2 N4 O2 -","- C18 H22 Cl2 Cu F2 N4 O2 -","- C36 H44 Cl4 Cu2 F4 N8 O4 -","2","0.5","","Kseniya N. Sedenkova; Elena B. Averina; Yuri K. Grishin; Andrei G. Kutateladze; Victor B. Rybakov; Tamara S. Kuznetsova; Nikolay S. Zefirov","Three-Component Heterocyclization ofgem-Bromofluorocyclopropanes with NOBF4: Access to 4-Fluoropyrimidine N-Oxides","Journal of Organic Chemistry","2012","77","","9893","9899","10.1021/jo301880m","","","0.71073","MoKα","","0.1015","0.0481","","","0.0985","0.1135","","","","","","0.775","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027681","11.4647","0.0005","20.6943","0.0006","17.0214","0.0007","90","","104.283","0.003","90","","3913.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 F N5 O8 -","- C15 H14 F N5 O8 -","- C120 H112 F8 N40 O64 -","8","2","","Kseniya N. Sedenkova; Elena B. Averina; Yuri K. Grishin; Andrei G. Kutateladze; Victor B. Rybakov; Tamara S. Kuznetsova; Nikolay S. Zefirov","Three-Component Heterocyclization ofgem-Bromofluorocyclopropanes with NOBF4: Access to 4-Fluoropyrimidine N-Oxides","Journal of Organic Chemistry","2012","77","","9893","9899","10.1021/jo301880m","","","0.71073","MoKα","","0.1531","0.0466","","","0.0735","0.0981","","","","","","0.71","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027682","12.261","0.003","23.082","0.007","28.567","0.008","108.262","0.004","91.474","0.003","105.118","0.005","7361","4","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C56.5 H100.25 N4.25 O38.5 S4 -","- C56.5 H60 N4.25 O38.5 S4 -","- C226 H240 N17 O154 S16 -","4","2","","Ling Chen; Heng-Yi Zhang; Yu Liu","High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis, Evidence of Crystallography and Binding of NAD+","Journal of Organic Chemistry","2012","77","","9766","9773","10.1021/jo301911w","","","0.71073","MoKα","","0.0705","0.057","","","0.1564","0.1663","","","","","","1.091","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027683","14.067","0.003","31.391","0.006","14.279","0.003","90","","90","","90","","6305","2","113","2","113","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C60 H80 N4 O28 S4 -","- C60 H80 N4 O28 S4 -","- C240 H320 N16 O112 S16 -","4","0.5","","Ling Chen; Heng-Yi Zhang; Yu Liu","High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis, Evidence of Crystallography and Binding of NAD+","Journal of Organic Chemistry","2012","77","","9766","9773","10.1021/jo301911w","","","0.71073","MoKα","","0.0441","0.0413","","","0.1031","0.1052","","","","","","1.086","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027684","15.794","0.006","17.349","0.006","17.438","0.007","110.905","0.001","113.174","0.006","97.646","0.004","3890","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H106 N4 O35.72 S4 -","- C65.98 H76 N4 O35.72 S4 -","- C131.96 H152 N8 O71.44 S8 -","2","1","","Ling Chen; Heng-Yi Zhang; Yu Liu","High Affinity Crown Ether Complexes in Water: Thermodynamic Analysis, Evidence of Crystallography and Binding of NAD+","Journal of Organic Chemistry","2012","77","","9766","9773","10.1021/jo301911w","","","0.71073","MoKα","","0.0942","0.0676","","","0.1691","0.1897","","","","","","1.048","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027685","23.581","0.005","15.123","0.003","10.468","0.002","90","","94.086","0.004","90","","3723.6","1.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C41 H41 N13 O2 -","- C41 H41 N13 O2 -","- C164 H164 N52 O8 -","4","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.1441","0.0966","","","0.1448","0.1622","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027686","10.6023","0.0009","13.3109","0.0012","13.4391","0.0012","109.33","0.008","101.227","0.007","98.434","0.007","1709.2","0.3","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C40.25 H34.5 Cl0.5 N12 -","- C40.25 H34.5 Cl0.5 N12 -","- C80.5 H69 Cl N24 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0783","0.0602","","","0.1396","0.1458","","","","","","1.007","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027687","10.9901","0.0017","12.415","0.002","13.379","0.003","89.992","0.007","81.014","0.005","74.842","0.006","1738.7","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H36 N10 -","- C42 H36 N10 -","- C84 H72 N20 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0721","0.065","","","0.1479","0.1526","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027688","10.2033","0.0019","13.486","0.003","18.28","0.004","101.482","0.003","91.641","0.004","99.266","0.004","2428.1","0.9","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H53 Cl4 Co2 N13 O5 -","- C44 H53 Cl4 Co2 N13 O5 -","- C88 H106 Cl8 Co4 N26 O10 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0797","0.0692","","","0.1595","0.1675","","","","","","1.096","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027689","10.231","0.002","13.51","0.003","18.245","0.004","102.03","0.03","90.96","0.03","99.91","0.03","2426","1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C41 H41 Cl4 N13 Ni2 O2 -","- C41 H41 Cl4 N13 Ni2 O2 -","- C82 H82 Cl8 N26 Ni4 O4 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0686","0.0567","","","0.1368","0.1457","","","","","","1.067","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027690","12.7471","0.0005","13.9306","0.0005","15.8655","0.0006","96.018","0.003","93.271","0.003","92.071","0.003","2794.7","0.18","104","2","104","2","","","","","","","","6","P -1","-P 1","2","","","","- C43 H46.5 Cl5 N13 Ni O11 -","- C41.5 H43.5 Cl2 N13 Ni O10.996 -","- C83 H87 Cl4 N26 Ni2 O21.992 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.093","0.0677","","","0.1525","0.1633","","","","","","0.988","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4027691","12.393","0.003","16.465","0.003","17.357","0.005","72.312","0.013","82.496","0.016","68.093","0.011","3130","1.3","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C47 H53 Cd2 Cl4 N17 O20 -","- C47 H53 Cd2 Cl4 N17 O20 -","- C94 H106 Cd4 Cl8 N34 O40 -","2","1","","Yi-Xin Fang; Liang Zhao; De-Xian Wang; Mei-Xiang Wang","Synthesis, Structure and Metal Binding Property of Internally 1,3-Arylene-Bridged Azacalix[6]aromatics","Journal of Organic Chemistry","2012","77","","10073","10082","10.1021/jo301528f","","","0.71073","MoKα","","0.0731","0.063","","","0.1482","0.1567","","","","","","1.071","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027692","9.7002","0.0003","13.0829","0.0003","21.7792","0.0006","90","","90","","90","","2763.93","0.13","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H25 Fe N5 O -","- C38 H25 Fe N5 O -","- C152 H100 Fe4 N20 O4 -","4","1","","Francisco Otón; María del Carmen González; Arturo Espinosa; Carmen Ramírez de Arellano; Alberto Tárraga; Pedro Molina","Ion Pair Recognition Receptor Based on an Unsymmetrically 1,1'-Disubstituted Ferrocene-Triazole Derivative","Journal of Organic Chemistry","2012","77","","10083","10092","10.1021/jo301570u","","","0.71073","MoKα","","0.0478","0.0386","","","0.0788","0.085","","","","","","1.045","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027693","8.654","0.002","9.693","0.002","12.619","0.003","78.489","0.004","87.071","0.004","82.042","0.004","1026.9","0.4","200","2","200","2","","","","","","","","7","P -1","-P 1","2","","","","- C16 H29 B Cl2 F4 N2 O2 -","- C16 H29 B Cl2 F4 N2 O2 -","- C32 H58 B2 Cl4 F8 N4 O4 -","2","1","","Corey H. Basch; Jameson A. Brinck; Joaquin E. Ramos; Stephen A. Habay; Glenn P.A. Yap","Synthesis of cis-Octahydroindoles via Intramolecular 1,3-Dipolar Cycloaddition of 2-Acyl-5-aminooxazolium Salts","Journal of Organic Chemistry","2012","77","","10416","10421","10.1021/jo301600p","","","0.71073","MoKα","","0.1339","0.0844","","","0.2153","0.2521","","","","","","1.036","","","","has coordinates,has disorder","178455","2020-10-21","18:00:00",""
"4027694","9.9444","0.0005","13.0012","0.0007","36.1469","0.0018","90","","90","","90","","4673.4","0.4","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H10 F12 O4 -","- C11 H10 F12 O4 -","- C132 H120 F144 O48 -","12","3","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1057","0.0402","","","0.0614","0.0772","","","","","","1.014","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027695","15.696","0.0005","12.2229","0.0004","17.2068","0.0005","90","","105.378","0.001","90","","3182.95","0.17","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H22 F24 O9 -","- C22 H22 F24 O9 -","- C88 H88 F96 O36 -","4","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0451","0.0312","","","0.0649","0.0744","","","","","","0.989","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027696","8.1163","0.0004","21.2609","0.001","12.7665","0.0003","90","","102.562","0.003","90","","2150.25","0.16","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H11 F20 O4.5 -","- C15 H11 F20 O4.5 -","- C60 H44 F80 O18 -","4","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.051","0.0305","","","0.0484","0.0521","","","","","","0.918","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027697","10.591","0.0007","11.4087","0.001","12.7478","0.001","107.199","0.004","110.878","0.004","95.198","0.004","1341.27","0.19","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H10 F28 O4 -","- C19 H10 F28 O4 -","- C38 H20 F56 O8 -","2","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1055","0.0542","","","0.1222","0.1408","","","","","","0.987","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027698","10.8442","0.0009","12.6035","0.0009","13.4532","0.0006","107.292","0.004","107.556","0.006","97.246","0.003","1626.1","0.2","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C46 H20 F72 O8 -","- C46 H20 F72 O8 -","- C46 H20 F72 O8 -","1","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1084","0.0752","","","0.1939","0.2132","","","","","","1.054","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027699","13.6774","0.0008","13.8975","0.001","14.0556","0.0008","67.935","0.004","67.245","0.004","83.498","0.004","2281.7","0.3","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H10 F52 O4 -","- C31 H10 F52 O4 -","- C62 H20 F104 O8 -","2","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0934","0.0517","","","0.116","0.1295","","","","","","1.004","","","","has coordinates","178455","2020-10-21","18:00:00",""
"4027700","7.5263","0.0006","11.7755","0.001","35.09","0.003","90","","90","","90","","3109.9","0.4","100","2","100","2","","","","","","","","4","P 2 21 21","P 2bc 2","18","","","","- C31 H10 F20 O4 -","- C31 H10 F20 O4 -","- C124 H40 F80 O16 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0713","0.0365","","","0.0627","0.0699","","","","","","0.911","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027701","11.046","0.0002","19.7743","0.0003","18.3995","0.0003","90","","91.3656","0.0007","90","","4017.8","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C80 H56 F40 N6 O8 -","- C80 H56 F40 N6 O8 -","- C160 H112 F80 N12 O16 -","2","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.052","0.0394","","","0.1038","0.1149","","","","","","1.01","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027702","10.3791","0.0004","19.808","0.0016","20.2096","0.0015","90","","90","","90","","4154.9","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H32 F20 N2 O4 -","- C41 H32 F20 N2 O4 -","- C164 H128 F80 N8 O16 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0901","0.0411","","","0.0769","0.0889","","","","","","0.932","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027703","14.2526","0.0012","8.9791","0.001","9.7106","0.0005","90","","129.481","0.004","90","","959.17","0.15","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C7 H8 Cl2 O4 -","- C7 H8 Cl2 O4 -","- C28 H32 Cl8 O16 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0341","0.0301","","","0.0652","0.0664","","","","","","1.025","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027704","8.7026","0.001","7.6311","0.0008","11.557","0.002","90","","103.131","0.004","90","","747.44","0.17","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H8 O5 -","- C7 H8 O5 -","- C28 H32 O20 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0576","0.0349","","","0.0762","0.0826","","","","","","0.973","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027705","8.4682","0.0004","10.9244","0.0004","13.2571","0.0005","108.543","0.002","100.404","0.002","104.79","0.002","1077.41","0.08","100","2","100","2","","","","","","","","4","P 1","P 1","1","","","","- C15 H10 F20 O4 -","- C15 H10 F20 O4 -","- C30 H20 F40 O8 -","2","2","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0745","0.0477","","","0.1126","0.125","","","","","","1.026","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027706","5.4658","0.0002","17.842","0.0012","15.3081","0.0009","90","","104.041","0.003","90","","1448.26","0.14","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F10 O5 -","- C11 H10 F10 O5 -","- C44 H40 F40 O20 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.0706","0.036","","","0.0538","0.0587","","","","","","1.213","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027707","9.47","0.02","6.58","0.01","10.22","0.02","90","","106.01","0.06","90","","612","2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H10 F6 O5 -","- C9 H10 F6 O5 -","- C18 H20 F12 O10 -","2","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1179","0.0568","","","0.12","0.146","","","","","","0.971","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027708","10.208","0.0006","15.1118","0.001","32.159","0.002","90","","90","","90","","4960.9","0.5","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C36 H32 F40 N2 O8 -","- C36 H32 F40 N2 O8 -","- C144 H128 F160 N8 O32 -","4","1","","Albrecht Berkessel; Sonja S. Vormittag; Nils E. Schlörer; Jörg-M. Neudörfl","TEFDDOLs (α,α,α',α'-Tetrakis(perfluoroaryl/alkyl)-2,2'-dimethyl -1,3-dioxolane-4,5-dimethanols): Highly Fluorinated Chiral H-Bond Donors and Brønsted Acids with Distinct H-Bonding Patterns and Supramolecular Architectures","Journal of Organic Chemistry","2012","77","","10145","10157","10.1021/jo301609g","","","0.71073","MoKα","","0.1029","0.0611","","","0.1612","0.1804","","","","","","0.99","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027709","15.407","0.003","13.388","0.003","11.634","0.003","90","","96.988","0.004","90","","2381.9","0.9","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C104 H112 O40 -","8","1","","Raju Karmakar; Dipakranjan Mal","Total Synthesis of Chlorocyclinone A, a PPAR-γ Antagonist","Journal of Organic Chemistry","2012","77","","10235","10248","10.1021/jo301712b","","","0.71073","MoKα","","0.0568","0.0493","","","0.1374","0.1507","","","","","","0.861","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027710","19.5005","0.0009","21.6527","0.001","24.7377","0.0011","90","","90","","90","","10445.2","0.8","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C105 H114 I2 N4 O32 -","- C105 H114 I2 N4 O32 -","- C420 H456 I8 N16 O128 -","4","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.1005","0.0488","","","0.085","0.0974","","","","","","0.861","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027711","19.8819","0.0013","4.0441","0.0002","20.1653","0.0013","90","","91.89","0.005","90","","1620.5","0.17","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C84 H56 I4 N4 O4 -","4","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0681","0.0364","","","0.0753","0.085","","","","","","0.97","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027712","6.9741","0.0003","19.3326","0.0011","20.4313","0.001","90","","90","","90","","2754.7","0.2","298","2","298","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H12 I N O -","- C16 H12 I N O -","- C128 H96 I8 N8 O8 -","8","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0957","0.0484","","","0.1224","0.1533","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027713","7.3227","0.0008","18.977","0.002","15.1979","0.0017","90","","113.484","0.002","90","","1937","0.4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 I4 N O -","- C16 H13 I4 N O -","- C64 H52 I16 N4 O4 -","4","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0592","0.0322","","","0.0602","0.069","","","","","","1.004","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027714","17.3734","0.0007","8.1254","0.0004","23.7944","0.0016","90","","90","","90","","3359","0.3","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C168 H112 I8 N8 O8 -","8","1","","Claudine Schlemmer; Lars Andernach; Dieter Schollmeyer; Bernd F. Straub; Till Opatz","Iodocyclization of o-Alkynylbenzamides Revisited: Formation of Isobenzofuran-1(3H)-imines and 1H-Isochromen-1-imines Instead of Lactams","Journal of Organic Chemistry","2012","77","","10118","10124","10.1021/jo3017378","","","0.71073","MoKα","","0.0542","0.0333","","","0.0773","0.0838","","","","","","0.917","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027715","17.469","0.004","5.6816","0.0013","19.972","0.004","90","","115.9","0.02","90","","1783.2","0.7","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3RS,3aSR,8aRS)-1-benzyl-3-phenyloctahydrocyclohepta[b]pyrrol-4(1H)-one","","- C22 H25 N O -","- C22 H25 N O -","- C88 H100 N4 O4 -","4","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","0.56085","AgKα","","0.1908","0.057","","","0.1015","0.1462","","","","","","0.808","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027716","10.1684","0.0018","10.9125","0.0018","18.1708","0.0019","90","","90","","90","","2016.3","0.5","295","2","295","2","","","","","","","Synthesis as described","5","P 21 21 21","P 2ac 2ab","19","","(1R,2S)-2-{[(1R)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol hydrobromide","","- C22 H26 Br N O -","- C22 H26 Br N O -","- C88 H104 Br4 N4 O4 -","4","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.0305","0.0283","","","0.0724","0.0742","","","","","","0.905","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027717","9.8448","0.0011","10.711","0.0018","10.5116","0.0017","90","","115","0.01","90","","1004.6","0.3","295","2","295","2","","","","","","","Synthesis as described","5","P 1 21 1","P 2yb","4","","(1S,2R)-2-{[(1R)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol hydrobromide","","- C22 H26 Br N O -","- C22 H26 Br N O -","- C44 H52 Br2 N2 O2 -","2","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.0395","0.0348","","","0.0834","0.0863","","","","","","1.075","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027718","10.3917","0.0008","20.6521","0.0016","20.2498","0.0017","90","","90","","90","","4345.8","0.6","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(3S,3aR,8aS)-3-phenyl-1-[(1R)-1-phenylethyl]octahydrocyclohepta [b]pyrrol-4(1H)-one","","- C48 H64 Br2 N2 O4 -","- C48 H64 Br2 N2 O4 -","- C192 H256 Br8 N8 O16 -","4","1","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","x-ray","0.56085","AgKα","","0.3058","0.0568","","","0.0951","0.1633","","","","","","0.635","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027719","9.667","0.003","12.211","0.003","32.485","0.007","90","","90","","90","","3834.7","1.7","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1S,2R)-2-{[(1S)-1-phenylethyl]amino}-1-(phenylethynyl)cyclohexanol","","- C22 H25 N O -","- C22 H25 N O -","- C176 H200 N8 O8 -","8","2","","Dmitry S. Belov; Evgeny R. Lukyanenko; Alexander V. Kurkin; Marina A. Yurovskaya","Highly Stereoselective and Scalable Synthesis of trans-Fused Octahydrocyclohepta[b]pyrrol-4(1H)-ones via the Aza-Cope-Mannich Rearrangement in Racemic and Enantiopure Forms","Journal of Organic Chemistry","2012","77","","10125","10134","10.1021/jo301762a","","","1.54184","CuKα","","0.1008","0.0594","","","0.1459","0.1733","","","","","","1.025","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027720","9.7999","0.0003","10.1149","0.0003","11.2907","0.0004","90.033","0.002","102.509","0.002","113.507","0.002","997.21","0.06","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N O5 -","- C21 H25 N O5 -","- C42 H50 N2 O10 -","2","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0699","0.0495","","","0.151","0.1786","","","","","","1.136","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027721","16.6227","0.0016","14.4517","0.0014","21.3942","0.0019","90","","106.236","0.005","90","","4934.5","0.8","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C61 H63 N3 O4 -","- C61 H55 N3 O4 -","- C244 H220 N12 O16 -","4","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0904","0.0594","","","0.1501","0.1842","","","","","","1.174","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027722","9.623","0.009","21.48","0.02","10.161","0.009","90","","90","","90","","2100","3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H27 N O5 -","- C22 H27 N O5 -","- C88 H108 N4 O20 -","4","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0701","0.0614","","","0.1639","0.1738","","","","","","1.024","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027723","19.473","0.003","33.144","0.004","7.8337","0.001","90","","90","","90","","5056","1.2","296","2","296","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C28 H31 N O4 -","- C28 H31 N O4 -","- C224 H248 N8 O32 -","8","1","","Dipankar Dhara; Krishnanka S. Gayen; Saikat Khamarui; Palash Pandit; Sukla Ghosh; Dilip K. Maiti","CeCl3.7H2O Catalyzed C-C and C-N Bond-Forming Cascade Cyclization with Subsequent Side-Chain Functionalization and Rearrangement: A Domino Approach to Pentasubstituted Pyrrole Analogues","Journal of Organic Chemistry","2012","77","","10441","10449","10.1021/jo301796r","","","0.71073","MoKα","","0.0524","0.043","","","0.1187","0.1307","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027724","7.5929","0.0003","9.335","0.0002","21.6474","0.0007","96.007","0.002","90.54","0.003","90.553","0.003","1525.78","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H10 Cl2 N2 -","- C20 H10 Cl2 N2 -","- C80 H40 Cl8 N8 -","4","2","","Deepali Waghray; Jing Zhang; Jeroen Jacobs; Wienand Nulens; Nikola Basarić; Luc Van Meervelt; Wim Dehaen","Synthesis and Structural Elucidation of Diversely Functionalized 5,10-Diaza[5]Helicenes","Journal of Organic Chemistry","2012","77","","10176","10183","10.1021/jo301814m","","","0.7107","MoKα","","0.0402","0.0341","","","0.0846","0.0878","","","","","","1.095","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027725","7.965","0.003","8.718","0.003","12.816","0.005","100.64","0.03","107.39","0.03","96.14","0.03","822.1","0.6","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H16 N2 O2 -","- C22 H16 N2 O2 -","- C44 H32 N4 O4 -","2","1","","Deepali Waghray; Jing Zhang; Jeroen Jacobs; Wienand Nulens; Nikola Basarić; Luc Van Meervelt; Wim Dehaen","Synthesis and Structural Elucidation of Diversely Functionalized 5,10-Diaza[5]Helicenes","Journal of Organic Chemistry","2012","77","","10176","10183","10.1021/jo301814m","","","0.7107","MoKα","","0.0492","0.0408","","","0.1098","0.1163","","","","","","1.047","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027726","14.07","0.02","11.657","0.017","15.58","0.02","90","","106.582","0.015","90","","2449","6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N4 O4 S -","- C23 H20 N4 O4 S -","- C92 H80 N16 O16 S4 -","4","1","","Luping Liu; Yuan Zhong; Panpan Zhang; Xianxing Jiang; Rui Wang","Core Scaffold-Inspired Stereoselective Synthesis of Spiropyrazolones via an Organocatalytic Michael/Cyclization Sequence","Journal of Organic Chemistry","2012","77","","10228","10234","10.1021/jo301851a","","","0.71073","MoKα","","0.1826","0.0891","","","0.1945","0.2244","","","","","","1.05","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027727","7.326","0.001","15.248","0.001","22.073","0.001","77.55","0.01","82.9","0.01","76.99","0.01","2338.6","0.4","100","2","100","2","","","","","","","methylene chloride/methanol","4","P 1","P 1","1","","","","- C36 H40 N4 O5 -","- C36 H40 N4 O5 -","- C108 H120 N12 O15 -","3","3","","Andrei Kozyrev; Manivannan Ethirajan; Ping Chen; Kei Ohkubo; Byron C. Robinson; Kathleen M. Barkigia; Shunichi Fukuzumi; Karl M. Kadish; Ravindra K. Pandey","Synthesis, Photophysical and Electrochemistry of Near-IR Absorbing Bacteriochlorins Related to Bacteriochlorophylla","Journal of Organic Chemistry","2012","77","","10260","10271","10.1021/jo301895p","","","0.9","synchrotron","","0.0802","0.0782","","0.2091","","0.2037","","","1.06","","","1.052","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027728","9.893","0.003","10.737","0.003","14.794","0.006","103.294","0.009","105.814","0.01","104.803","0.007","1383.9","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C36 H27 N5 -","- C36 H27 N5 -","- C72 H54 N10 -","2","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.078","0.0472","","","0.1113","0.1299","","","","","","0.933","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027729","6.982","0.006","13.943","0.013","17.51","0.016","67.1","0.03","86.1","0.03","76.05","0.02","1523","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H23 Cl4 N5 -","- C36 H23 Cl4 N5 -","- C72 H46 Cl8 N10 -","2","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.2294","0.1494","","","0.4038","0.4833","","","","","","1.552","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027730","13.8682","0.0018","16.152","0.002","17.175","0.004","109.139","0.005","109.139","0.005","100.443","0.004","3249","1","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H35 N5 O4 -","- C40 H35 N5 O4 -","- C160 H140 N20 O16 -","4","2","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.0698","0.0459","","","0.1124","0.1273","","","","","","1.04","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027731","10.7635","0.0018","14.054","0.003","18.836","0.003","90","","96","0.004","90","","2833.7","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C34 H30 N4 O4 -","- C34 H30 N4 O4 -","- C136 H120 N16 O16 -","4","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.0767","0.045","","","0.1168","0.1532","","","","","","0.764","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027732","12.885","0.01","12.885","0.01","7.477","0.006","90","","90","","120","","1075","1.5","293","2","293","2","","","","","","","","5","P -3","-P 3","147","","","","- C22 H24 Cl N3 O4 -","- C22 H24 Cl N3 O4 -","- C44 H48 Cl2 N6 O8 -","2","0.333333","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.1021","0.0677","","","0.1785","0.2064","","","","","","1.022","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027733","11.9726","0.0017","7.679","0.0011","31.289","0.005","90","","94.058","0.004","90","","2869.4","0.7","120","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C33 H24 F3 N5 O3 S -","- C33 H24 F3 N5 O3 S -","- C132 H96 F12 N20 O12 S4 -","4","1","","Suman K Roy; Subhas Samanta; Mominul Sinan; Pradip Ghosh; Sreebrata Goswami","Aerial Oxidation of Protonated Aromatic Amines. Isolation, X-ray Structure, and Redox and Spectral Characteristics of N- Containing Dyes","Journal of Organic Chemistry","2012","77","","10249","10259","10.1021/jo3019126","","","0.71073","MoKα","","0.0825","0.0436","","","0.0905","0.1076","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027734","12.1581","0.0007","22.4909","0.0012","13.1025","0.0007","90","","110.339","0.001","90","","3359.5","0.3","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H30 Cl F3 P2 Pd -","- C38 H30 Cl F3 P2 Pd -","- C152 H120 Cl4 F12 P8 Pd4 -","4","1","","Chunfa Xu; Sheng Chen; Long Lu; Qilong Shen","Preparation of Trifluorostyrenes via Palladium-Catalyzed Coupling of Arylboronic Acids with Chloro- and Bromotrifluoroethylene","Journal of Organic Chemistry","2012","77","","10314","10320","10.1021/jo301998g","","","0.71073","MoKα","","0.0414","0.0329","","","0.0838","0.089","","","","","","1.023","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027735","13.677","0.0003","14.981","0.0002","24.659","0.0005","90","","90","","90","","5052.51","0.17","293","2","293","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","DR 10 IZOMER II","","","- C55 H72 Cl2 O6 -","- C55 H72 Cl2 O6 -","- C220 H288 Cl8 O24 -","4","1","","Dorota Czajkowska-Szczykowska; Braulio Rodríguez-Molina; Nancy E. Magaña-Vergara; Rosa Santillan; Jacek W. Morzycki; Miguel A. Garcia-Garibay","Macrocyclic Molecular Rotors with Bridged Steroidal Frameworks","Journal of Organic Chemistry","2012","77","","9970","9978","10.1021/jo3020402","","x-ray","0.71073","MoKα","","0.1015","0.0726","","","0.1909","0.2157","","","","","","1.046","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027736","15.872","0.0004","6.902","0.0001","24.425","0.0006","90","","108.057","0.001","90","","2543.94","0.1","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C55 H72 Cl2 O6 -","- C55.001 H72.002 Cl2.002 O6 -","- C110.002 H144.004 Cl4.004 O12 -","2","1","","Dorota Czajkowska-Szczykowska; Braulio Rodríguez-Molina; Nancy E. Magaña-Vergara; Rosa Santillan; Jacek W. Morzycki; Miguel A. Garcia-Garibay","Macrocyclic Molecular Rotors with Bridged Steroidal Frameworks","Journal of Organic Chemistry","2012","77","","9970","9978","10.1021/jo3020402","","x-ray","0.71073","MoKα","","0.1099","0.0582","","","0.1356","0.1643","","","","","","0.883","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027737","11.872","0.003","7.111","0.002","19.434","0.005","90","","99.891","0.004","90","","1616.3","0.7","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O3 Si -","- C16 H19 N O3 Si -","- C64 H76 N4 O12 Si4 -","4","1","","Giorgio Abbiati; Arjana Doda; Monica Dell'Acqua; Valentina Pirovano; Diego Facoetti; Silvia Rizzato; Elisabetta Rossi","Synthesis of Two Unnatural Oxygenated Aaptaminoids","Journal of Organic Chemistry","2012","77","","10461","10467","10.1021/jo3020598","","","0.71073","MoKα","","0.1417","0.0648","","","0.156","0.1917","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027738","8.334","0.002","16.239","0.004","8.456","0.002","90","","111.019","0.004","90","","1068.3","0.4","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H11 N O3 -","- C13 H11 N O3 -","- C52 H44 N4 O12 -","4","1","","Giorgio Abbiati; Arjana Doda; Monica Dell'Acqua; Valentina Pirovano; Diego Facoetti; Silvia Rizzato; Elisabetta Rossi","Synthesis of Two Unnatural Oxygenated Aaptaminoids","Journal of Organic Chemistry","2012","77","","10461","10467","10.1021/jo3020598","","","0.71073","MoKα","","0.0904","0.0444","","","0.0817","0.0977","","","","","","1.09","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027739","13.207","0.003","8.4523","0.0018","18.886","0.004","90","","90","","90","","2108.2","0.8","113","2","113","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H11 N O3 -","- C12 H11 N O3 -","- C96 H88 N8 O24 -","8","1","","Yunhui Zheng; Xuming Li; Chengfeng Ren; Daisy Zhang-Negrerie; Yunfei Du; Kang Zhao","Synthesis of Oxazoles from Enamides via Phenyliodine Diacetate-Mediated Intramolecular Oxidative Cyclization","Journal of Organic Chemistry","2012","77","","10353","10361","10.1021/jo302073e","","","0.71073","MoKα","","0.0464","0.0378","","","0.0956","0.1012","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027740","11.4952","0.0012","6.768","0.0009","15.439","0.002","90","","90","","90","","1201.1","0.3","150","1","150","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C5 H7 N3 O -","- C5 H7 N3 O -","- C40 H56 N24 O8 -","8","1","","Petar A. Duspara; Md. Sadequl Islam; Alan J. Lough; Robert A. Batey","Synthesis and Reactivity of N-Alkyl Carbamoylimidazoles: Development of N-Methyl Carbamoylimidazole as a Methyl Isocyanate Equivalent","Journal of Organic Chemistry","2012","77","","10362","10368","10.1021/jo302084a","","","0.71073","MoKα","","0.0644","0.0455","","","0.109","0.1182","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027741","18.6488","0.0012","8.4106","0.0006","6.8574","0.0004","90","","92.121","0.003","90","","1074.83","0.12","143","1","143","1","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C9 H11 B F3 K O -","- C9 H11 B F3 K O -","- C36 H44 B4 F12 K4 O4 -","4","1","","Nicolas Fleury-Brégeot; Marc Presset; Floriane Beaumard; Virginie Colombel; Daniel Oehlrich; Frederik Rombouts; Gary A. Molander","Suzuki-Miyaura Cross-Coupling of Potassium Alkoxyethyltrifluoroborates: Access to Aryl/Heteroarylethyloxy Motifs","Journal of Organic Chemistry","2012","77","","10399","10408","10.1021/jo3021665","","","0.71073","MoKα","","0.025","0.0232","","","0.0554","0.0564","","","","","","1.13","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027742","5.439","0.0001","13.884","0.0003","19.535","0.0005","90","0.001","90","0.001","90","0.001","1475.19","0.06","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Cl N O -","- C18 H16 Cl N O -","- C72 H64 Cl4 N4 O4 -","4","1","","Gonzalo Blay; Joan Cano; Luz Cardona; Isabel Fernández; M. Carmen Muñoz; José R. Pedro; Carlos Vila","NMR Spectroscopic Characterization and DFT Calculations of Zirconium(IV)-3,3'-Br2-BINOLate and Related Complexes Used in an Enantioselective Friedel-Crafts Alkylation of Indoles with α,β-Unsaturated Ketones","Journal of Organic Chemistry","2012","77","","10545","10556","10.1021/jo3013594","","","0.71073","MoKα","","0.0787","0.0349","","","0.082","0.1052","","","","","","0.871","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027743","10.591","0.002","11.791","0.002","14.954","0.003","90","","103.94","0.03","90","","1812.4","0.6","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","TPA2TCNQF4","TPA2TCNQF4","","- C18 H28 F2 N3 -","- C18 H28 F2 N3 -","- C72 H112 F8 N12 -","4","1","","Jinzhen Lu; Thanh Hai Le; Daouda A. K. Traore; Matthew C. J. Wilce; Alan M. Bond; Lisandra L. Martin","Synthetic Precursors for TCNQF42- Compounds: Synthesis, Characterization, and Electrochemical Studies of (Pr4N)2TCNQF4 and Li2TCNQF4","Journal of Organic Chemistry","2012","77","","10568","10574","10.1021/jo301403v","","","0.77343","MoKα","","0.0469","0.0445","","","0.1078","0.1095","","","","","","1.054","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027744","14.946","0.003","7.168","0.0014","22.136","0.004","90","","103.01","0.03","90","","2310.6","0.8","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Pr4NTCNQF4","Pr4NTCNQF4","","- C24 H28 F4 N5 -","- C24 H28 F4 N5 -","- C96 H112 F16 N20 -","4","1","","Jinzhen Lu; Thanh Hai Le; Daouda A. K. Traore; Matthew C. J. Wilce; Alan M. Bond; Lisandra L. Martin","Synthetic Precursors for TCNQF42- Compounds: Synthesis, Characterization, and Electrochemical Studies of (Pr4N)2TCNQF4 and Li2TCNQF4","Journal of Organic Chemistry","2012","77","","10568","10574","10.1021/jo301403v","","","0.77343","Synchrotron","","0.0482","0.0426","","","0.1087","0.1126","","","","","","1.048","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027745","12.117","0.0007","24.7548","0.0014","17.6157","0.001","90","","105.435","0.001","90","","5093.3","0.5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C48 H72 O6 Si4 -","- C48 H72 O6 Si4 -","- C192 H288 O24 Si16 -","4","1","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0698","0.0451","","","0.11","0.118","","","","","","0.997","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027746","10.4606","0.0013","12.1928","0.0016","16.305","0.002","90","","85.78","0.002","90","","2074","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C40 H48 O2 Si4 -","- C40 H48 O2 Si4 -","- C80 H96 O4 Si8 -","2","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.2397","0.1046","","","0.2479","0.3198","","","","","","1.027","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027747","8.2772","0.0002","9.244","0.0002","22.2287","0.0005","94.95","","91.91","","103.19","","1647.3","0.07","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H44 -","- C44 H44 -","- C88 H88 -","2","1","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0485","0.0408","","","0.1205","0.1268","","","","","","1.048","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027748","10.832","0.0016","10.393","0.0015","17.083","0.003","90","","101.151","0.003","90","","1886.8","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C40 H44 Si4 -","- C40 H44 Si4 -","- C80 H88 Si8 -","2","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.1181","0.0518","","","0.0961","0.1082","","","","","","0.979","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027749","6.1425","0.0004","16.351","0.0009","22.2636","0.0013","90","","97.319","0.001","90","","2217.8","0.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C54 H30 Br6 -","- C54 H30 Br6 -","- C108 H60 Br12 -","2","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0674","0.0335","","","0.0613","0.0662","","","","","","0.859","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027750","10.6386","0.0001","10.7847","0.0001","10.8584","0.0001","119.31","","101.93","","100.747","0.001","1000.64","0.018","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H48 Cl4 O4 Si4 -","- C34 H48 Cl4 O4 Si4 -","- C34 H48 Cl4 O4 Si4 -","1","0.5","","Bharat Kumar; Benjamin T. King","Synthesis of 1,8,9,16-Tetrakis(trimethylsilyl)tetra-cata-tetrabenzoquadrannulene","Journal of Organic Chemistry","2012","77","","10617","10622","10.1021/jo3015648","","","0.71073","MoKα","","0.0355","0.0304","","","0.0761","0.0805","","","","","","1.04","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027751","8.752","0.002","9.601","0.003","34.398","0.009","90","","90.406","0.004","90","","2890.3","1.4","100","2","100","2","","","","","","","chemical synthesis","4","P 1 21 1","P 2yb","4","","3-(4-methoxyphenylimino)cholest-4-ene-6-one","","- C34 H49 N O2 -","- C34 H49 N O2 -","- C136 H196 N4 O8 -","4","2","","Xin Geng; Joel T. Mague; Robert A. Pascal","Synthesis and Chiroptical Properties of Arylimines of Cholest-4-ene-3,6-dione","Journal of Organic Chemistry","2012","77","","10920","10924","10.1021/jo301591g","","","0.71073","MoKα","","0.0909","0.0739","","","0.1867","0.2017","","","","","","1.088","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027752","10.364","0.003","30.543","0.009","19.545","0.006","90","","101.745","0.004","90","","6057","3","296","2","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C57 H69 Br Cl9 N9 O3 -","- C57 H45 Br Cl9 N9 O3 -","- C228 H180 Br4 Cl36 N36 O12 -","4","1","","Natsuko Uchida; Junpei Kuwabara; Ayako Taketoshi; Takaki Kanbara","Molecular Design of Organic Superbases, Azacalix[3](2,6)pyridines: Catalysts for 1,2- and 1,4-Additions","Journal of Organic Chemistry","2012","77","","10631","10637","10.1021/jo3017428","","","0.71073","MoKα","","","0.1979","","","","0.5033","","","","","","1.277","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027753","9.0429","0.0007","19.0807","0.0016","11.3218","0.0009","90","","111.15","0.001","90","","1821.9","0.3","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","3-amino-2,2-dimethoxy-4-phenyl- 3,4-dihydro-2H-benzo[h]chromene-3-carbonitrile","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C88 H80 N8 O12 -","4","1","","Santhosh Reddy Mandha; Manjula Alla; Vittal Rao Bommena; Jagadeesh Babu Nanubolu; Santosh Kumar Lingala; Soujanya Yarasi","Oxidative Difunctionalization of 2-Amino-4H-pyrans in Iodobenzene Diacetate and N-Chlorosuccinimide: Reactivity, Mechanistic Insights, and DFT Calculations","Journal of Organic Chemistry","2012","77","","10648","10654","10.1021/jo301801b","","","0.71073","MoKα","","0.0416","0.0355","","","0.1025","0.1096","","","","","","1.029","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027754","7.2975","0.0006","11.8237","0.0009","12.3742","0.001","74.586","0.001","82.947","0.001","83.66","0.001","1018.11","0.14","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","3-amino-2,2-diethoxy-4-phenyl- 3,4-dihydro-2H-benzo[h]chromene-3-carbonitrile","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C48 H48 N4 O6 -","2","1","","Santhosh Reddy Mandha; Manjula Alla; Vittal Rao Bommena; Jagadeesh Babu Nanubolu; Santosh Kumar Lingala; Soujanya Yarasi","Oxidative Difunctionalization of 2-Amino-4H-pyrans in Iodobenzene Diacetate and N-Chlorosuccinimide: Reactivity, Mechanistic Insights, and DFT Calculations","Journal of Organic Chemistry","2012","77","","10648","10654","10.1021/jo301801b","","","0.71073","MoKα","","0.054","0.0465","","","0.1205","0.127","","","","","","1.024","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027755","10.8794","0.0005","10.5049","0.0005","17.5593","0.0008","90","","99.814","0.001","90","","1977.43","0.16","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-amino-3-chloro-2-ethoxy-4-phenyl- 3,4-dihydro-2H-benzo[h]chromene-3-carbonitrile","","- C22 H18 Cl2 N2 O2 -","- C22 H18 Cl2 N2 O2 -","- C88 H72 Cl8 N8 O8 -","4","1","","Santhosh Reddy Mandha; Manjula Alla; Vittal Rao Bommena; Jagadeesh Babu Nanubolu; Santosh Kumar Lingala; Soujanya Yarasi","Oxidative Difunctionalization of 2-Amino-4H-pyrans in Iodobenzene Diacetate and N-Chlorosuccinimide: Reactivity, Mechanistic Insights, and DFT Calculations","Journal of Organic Chemistry","2012","77","","10648","10654","10.1021/jo301801b","","","0.71073","MoKα","","0.0406","0.0373","","","0.1026","0.1056","","","","","","1.056","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027756","9.3035","0.0002","9.3322","0.0003","19.7057","0.0006","90","","100.401","0.003","90","","1682.78","0.08","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C72 H80 O24 -","4","1","","Boshen Wu; George C. Feast; Amber L. Thompson; Jeremy Robertson","Synthesis of Stereoisomers of Artemisia and Chrysanthemum Bis(acetylenic) Enol Ether Spiroacetals","Journal of Organic Chemistry","2012","77","","10623","10630","10.1021/jo301810d","","","1.5418","CuKα","","0.0425","0.0396","","0.1178","0.1132","0.1175","","","","","","1.0112","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027757","8.8737","0.0002","9.7374","0.0002","11.242","0.0003","95.422","0.001","112.71","0.0012","99.3154","0.0013","871.01","0.04","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H20 O6 -","- C18 H20 O6 -","- C36 H40 O12 -","2","1","","Boshen Wu; George C. Feast; Amber L. Thompson; Jeremy Robertson","Synthesis of Stereoisomers of Artemisia and Chrysanthemum Bis(acetylenic) Enol Ether Spiroacetals","Journal of Organic Chemistry","2012","77","","10623","10630","10.1021/jo301810d","","","0.71073","MoKα","","0.0476","0.0418","","0.1104","0.1035","0.1104","","","","","","0.9195","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027758","10.3054","0.0004","10.0632","0.0004","10.8269","0.0003","90","","94.886","0.001","90","","1118.73","0.07","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H40 N O5 -","- C22 H40 N O5 -","- C44 H80 N2 O10 -","2","1","","Denis A. Morozov; Igor A. Kirilyuk; Denis A. Komarov; Andrea Goti; Irina Yu. Bagryanskaya; Natalia V. Kuratieva; Igor A. Grigor'ev","Synthesis of a Chiral C2-Symmetric Sterically Hindered Pyrrolidine Nitroxide Radical via Combined Iterative Nucleophilic Additions and Intramolecular 1,3-Dipolar Cycloadditions to Cyclic Nitrones","Journal of Organic Chemistry","2012","77","","10688","10698","10.1021/jo3019158","","x-ray","0.71073","MoKα","","0.0402","0.0385","","","0.1138","0.1153","","","","","","1.094","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027759","8.9167","0.0009","11.6882","0.0019","20.8027","0.0015","90","","90","","90","","2168.1","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","1,2-Di-tert-butoxy-3- (pent-4-enyl)octahydrocyclopenta[c]pyrrolo[1,2-b]isoxazolidine","","- C22 H38.14 N O3 -","- C22 H38.13 N O3 -","- C88 H152.52 N4 O12 -","4","1","","Denis A. Morozov; Igor A. Kirilyuk; Denis A. Komarov; Andrea Goti; Irina Yu. Bagryanskaya; Natalia V. Kuratieva; Igor A. Grigor'ev","Synthesis of a Chiral C2-Symmetric Sterically Hindered Pyrrolidine Nitroxide Radical via Combined Iterative Nucleophilic Additions and Intramolecular 1,3-Dipolar Cycloadditions to Cyclic Nitrones","Journal of Organic Chemistry","2012","77","","10688","10698","10.1021/jo3019158","","","0.71073","MoKα","","0.0381","0.036","","","0.1001","0.1025","","","","","","1.044","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027760","8.9677","0.0009","5.2389","0.0007","17.839","0.002","90","","94.853","0.004","90","","835.09","0.17","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","KA254, A enantiomer","[(1R,2S,5R,6S,7R)-2-(4-bromophenyl)-7-(diethylamino)-3- oxabicyclo[3.2.0]heptan-6-yl]methanol","","- C17 H24 Br N O2 -","- C17 H24 Br N O2 -","- C34 H48 Br2 N2 O4 -","2","1","","Kerti Ausmees; Kadri Kriis; Tõnis Pehk; Franz Werner; Ivar Järving; Margus Lopp; Tõnis Kanger","Diastereoselective Multicomponent Cascade Reaction Leading to [3.2.0]-Heterobicyclic Compounds","Journal of Organic Chemistry","2012","77","","10680","10687","10.1021/jo3019413","","","0.71073","MoKα","","0.0433","0.0332","","","0.0751","0.0804","","","","","","0.902","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027761","14.655","0.009","18.309","0.011","7.846","0.005","90","","95.567","0.01","90","","2095","2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 Cl3 I N O3 -","- C19 H17 Cl3 I N O3 -","- C76 H68 Cl12 I4 N4 O12 -","4","1","","Saurabh Mehta; Tuanli Yao; Richard C. Larock","Regio- and Stereoselective Synthesis of Cyclic Imidates via Electrophilic Cyclization of 2-(1-Alkynyl)benzamides. A Correction","Journal of Organic Chemistry","2012","77","","10938","10944","10.1021/jo301958q","","","0.71073","MoKα","","0.0911","0.0655","","","0.1678","0.1859","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027762","6.793","0.003","18.773","0.008","28.433","0.012","90","","93.443","0.007","90","","3619","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 I N O Si -","- C18 H18 I N O Si -","- C144 H144 I8 N8 O8 Si8 -","8","2","","Saurabh Mehta; Tuanli Yao; Richard C. Larock","Regio- and Stereoselective Synthesis of Cyclic Imidates via Electrophilic Cyclization of 2-(1-Alkynyl)benzamides. A Correction","Journal of Organic Chemistry","2012","77","","10938","10944","10.1021/jo301958q","","","0.71073","MoKα","","0.1387","0.1221","","","0.334","0.3488","","","","","","1.247","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027763","33.413","0.003","9.4529","0.0008","15.755","0.0013","90","","104.835","0.002","90","","4810.3","0.7","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H24 Cl4 N8 S4 -","- C50 H24 Cl4 N8 S4 -","- C200 H96 Cl16 N32 S16 -","4","0.5","","Raúl García; M Ángeles Herranz; M Rosario Torres; Pierre-Antoine Bouit; Juan Luis Delgado; Joaquín Calbo; Pedro M. Viruela; Enrique Ortí; Nazario Martín","Tuning the Electronic Properties of Nonplanar exTTF-Based Push-Pull Chromophores by Aryl Substitution","Journal of Organic Chemistry","2012","77","","10707","10717","10.1021/jo302047m","","","0.71073","MoKα","","0.1995","0.0844","","","0.2614","0.3264","","","","","","0.993","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027764","15.4616","0.001","8.4839","0.0006","14.5911","0.001","90","","100.587","0.006","90","","1881.4","0.2","120","2","120","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H24 N12 O6 -","- C15 H24 N12 O6 -","- C60 H96 N48 O24 -","4","0.5","","Marek Stancl; Zuzana Gargulakova; Vladimir Sindelar","Glycoluril Dimer Isomerization under Aqueous Acidic Conditions Related to Cucurbituril Formation","Journal of Organic Chemistry","2012","77","","10945","10948","10.1021/jo302063j","","","0.71073","MoKα","","0.0526","0.0388","","","0.1082","0.1123","","","","","","1.055","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027765","14.847","0.001","10.857","0.001","14.834","0.001","90","","119.32","0.01","90","","2084.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 I O2 -","- C11 H9 I O2 -","- C88 H72 I8 O16 -","8","2","","Anna Antos; Yiannis Elemes; Adonis Michaelides; John, A. Nyxas; Stavroula Skoulika; Lazaros P. Hadjiarapoglou","The Question of Electrophilic vs Nucleophilic Addition of Cyclic β-Dicarbonyl Phenyliodonium Ylides: Electrophilic Cycloaddition of Diphenylketene","Journal of Organic Chemistry","2012","77","","10949","10954","10.1021/jo3020787","","","0.71073","MoKα","","0.0702","0.04","","","0.0838","0.0952","","","","","","1.007","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027766","17.183","0.002","10.897","0.001","18.656","0.003","90","","115.34","0.01","90","","3157.1","0.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C160 H128 O24 -","8","2","","Anna Antos; Yiannis Elemes; Adonis Michaelides; John, A. Nyxas; Stavroula Skoulika; Lazaros P. Hadjiarapoglou","The Question of Electrophilic vs Nucleophilic Addition of Cyclic β-Dicarbonyl Phenyliodonium Ylides: Electrophilic Cycloaddition of Diphenylketene","Journal of Organic Chemistry","2012","77","","10949","10954","10.1021/jo3020787","","","0.71073","MoKα","","0.174","0.0727","","","0.1495","0.1961","","","","","","0.996","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027767","14.935","0.003","9.95","0.002","10.439","0.002","90","","97.52","0.01","90","","1537.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 O3 -","- C20 H16 O3 -","- C80 H64 O12 -","4","1","","Anna Antos; Yiannis Elemes; Adonis Michaelides; John, A. Nyxas; Stavroula Skoulika; Lazaros P. Hadjiarapoglou","The Question of Electrophilic vs Nucleophilic Addition of Cyclic β-Dicarbonyl Phenyliodonium Ylides: Electrophilic Cycloaddition of Diphenylketene","Journal of Organic Chemistry","2012","77","","10949","10954","10.1021/jo3020787","","","0.71073","MoKα","","0.068","0.0484","","","0.1178","0.1322","","","","","","1.008","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027768","22.122","0.004","5.367","0.001","16.713","0.003","90","","112.172","0.004","90","","1837.6","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H11 N3 O2 -","- C8 H11 N3 O2 -","- C64 H88 N24 O16 -","8","2","","Debanjan Biswas; Ryan J. Holland; Jeffrey R. Deschamps; Zhao Cao; Larry K. Keefer; Joseph E. Saavedra","O2-Functionalized Methylamine Diazeniumdiolates: Evidence for E-Z Equilibration in an Acyclic System","Journal of Organic Chemistry","2012","77","","10804","10810","10.1021/jo3020837","","","0.71073","MoKα","","0.0527","0.0451","","","0.1089","0.1105","","","","","","1.083","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027769","10.845","0.005","9.451","0.005","12.818","0.006","90","","113.506","0.005","90","","1204.8","1","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C33 H27 N -","- C33 H27 N -","- C66 H54 N2 -","2","1","","Mei-Jin Zhong; Xiang-Chuan Wang; Hai-Tao Zhu; Jie Hu; Lei Liu; Xue-Yuan Liu; Yong-Min Liang","Synthesis of Tetrasubstituted Cyclopentadienes via Palladium-Catalyzed Reaction of (Z)-2-En-4-yn Acetates and N-Methyl Indoles","Journal of Organic Chemistry","2012","77","","10955","10961","10.1021/jo3021055","","","0.71073","MoKα","","0.1309","0.0577","","","0.0741","0.0928","","","","","","0.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027770","10.1773","0.0005","10.6007","0.0006","11.9185","0.0006","69.317","0.005","81.261","0.004","88.31","0.004","1188.6","0.12","100","0.1","100","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C33 H26 N -","- C33 H26 N -","- C66 H52 N2 -","2","1","","Mei-Jin Zhong; Xiang-Chuan Wang; Hai-Tao Zhu; Jie Hu; Lei Liu; Xue-Yuan Liu; Yong-Min Liang","Synthesis of Tetrasubstituted Cyclopentadienes via Palladium-Catalyzed Reaction of (Z)-2-En-4-yn Acetates and N-Methyl Indoles","Journal of Organic Chemistry","2012","77","","10955","10961","10.1021/jo3021055","","","1.5418","CuKα","","0.0545","0.0487","","","0.1317","0.1386","","","","","","1.057","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027771","14.4152","0.0001","15.5893","0.0002","18.6579","0.0002","90","","93.605","0.001","90","","4184.56","0.08","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H23 N3 O2 -","- C26 H23 N3 O2 -","- C208 H184 N24 O16 -","8","1","","Hongpeng Sun; Huayong Zhou; Oleg Khorev; Ruwei Jiang; Ting Yu; Xin Wang; Yongli Du; Yi Ma; Tao Meng; Jingkang Shen","Three-Component, One-Pot Sequential Synthesis of Functionalized Cyclazines: 3H-1,2a1,3-Triazaacenaphthylenes","Journal of Organic Chemistry","2012","77","","10745","10751","10.1021/jo3021105","","","0.71073","MoKα","","0.0395","0.0351","","","0.089","0.0923","","","","","","1.041","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027772","40.6397","0.0006","7.7179","0.0001","17.0144","0.0002","90","","97.5888","0.0008","90","","5289.88","0.12","200","","200","","","","","","","","local","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 O3 -","- C15 H12 N2 O3 -","- C240 H192 N32 O48 -","16","2","","Tristan A. Reekie; Martin G. Banwell; Anthony C. Willis","A Raney-Cobalt-Mediated Tandem Reductive Cyclization Route to the 1,5-Methanoazocino[4,3-b]indole Framework of the Uleine and Strychnos Alkaloids","Journal of Organic Chemistry","2012","77","","10773","10781","10.1021/jo302132d","","","0.71073","MoKα","","0.0648","0.0445","","0.1107","0.1016","0.1107","","","","","","0.9898","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027773","8.973","0.004","12.797","0.005","15.681","0.007","90","","90","","90","","1800.6","1.3","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N2 O6 P S -","- C14 H23 N2 O6 P S -","- C56 H92 N8 O24 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","0.71073","MoKα","","0.1129","0.065","","","0.1125","0.1249","","","","","","0.997","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027774","9.901","0.003","13.938","0.005","21.18","0.007","90","","90","","90","","2922.8","1.7","293","2","293","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H30 Br N2 O6 P S -","- C18 H30 Br N2 O6 P S -","- C72 H120 Br4 N8 O24 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","0.71073","MoKα","","0.0999","0.0584","","","0.1315","0.1459","","","","","","0.925","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027775","19.234","0.004","12.276","0.003","10.907","0.002","90","","114.84","0.03","90","","2337.1","1","296","2","296","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C15 H25 N2 O7 P S -","- C15 H25 N2 O7 P S -","- C60 H100 N8 O28 P4 S4 -","4","1","","Qiuli Yao; Chengye Yuan","Stereospecific Transformation of Protected P-H Group into P-O or P-N Group in One-Pot Reaction","Journal of Organic Chemistry","2012","77","","10985","10990","10.1021/jo302140q","","","1.54178","CuKα","","0.076","0.0726","","","0.1906","0.1983","","","","","","1.122","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027776","7.2395","0.0006","11.7179","0.001","10.5844","0.0009","90","","105.319","0.002","90","","865.99","0.13","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H16 I N O3 -","- C19 H16 I N O3 -","- C38 H32 I2 N2 O6 -","2","1","","Min-Qiang Jia; Chuan Liu; Shu-Li You","Diastereoselective and Enantioselective Desymmetrization of α-Substituted Cyclohexadienones via Intramolecular Stetter Reaction","Journal of Organic Chemistry","2012","77","","10996","11001","10.1021/jo3022555","","","0.71073","MoKα","","0.0261","0.0255","","","0.0573","0.0577","","","","","","1.07","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027777","12.6","0.03","9.57","0.03","17.72","0.05","90","","105.88","0.02","90","","2055","10","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 Br N2 O6 -","- C20 H17 Br N2 O6 -","- C80 H68 Br4 N8 O24 -","4","2","","Cheng-Yong Jin; Yao Wang; Yao-Zong Liu; Chao Shen; Peng-Fei Xu","Organocatalytic Asymmetric Michael Addition of Oxindoles to Nitroolefins for the Synthesis of 2,2-Disubstituted Oxindoles Bearing Adjacent Quaternary and Tertiary Stereocenters","Journal of Organic Chemistry","2012","77","","11307","11312","10.1021/jo301886j","","","0.71073","MoKα","","0.1502","0.0513","","","0.1102","0.1558","","","","","","0.872","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027778","8.302","0.01","9.769","0.012","13.135","0.016","90","","99.38","0.011","90","","1051","2","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H21 Br N2 O4 -","- C22 H21 Br N2 O4 -","- C44 H42 Br2 N4 O8 -","2","1","","Cheng-Yong Jin; Yao Wang; Yao-Zong Liu; Chao Shen; Peng-Fei Xu","Organocatalytic Asymmetric Michael Addition of Oxindoles to Nitroolefins for the Synthesis of 2,2-Disubstituted Oxindoles Bearing Adjacent Quaternary and Tertiary Stereocenters","Journal of Organic Chemistry","2012","77","","11307","11312","10.1021/jo301886j","","","0.71073","MoKα","","0.0842","0.0505","","","0.1196","0.1362","","","","","","1.029","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027779","8.6875","0.0013","14.688","0.002","16.685","0.002","90","","90","","90","","2129","0.5","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 N O3 Si -","- C22 H31 N O3 Si -","- C88 H124 N4 O12 Si4 -","4","1","","Trung Cao; Elizabeth C. Linton; Joshua Deitch; Simon Berritt; Marisa C. Kozlowski","Copper(II)- and Palladium(II)-Catalyzed Enantioselective Claisen Rearrangement of Allyloxy- and Propargyloxy-Indoles to Quaternary Oxindoles and Spirocyclic Lactones","Journal of Organic Chemistry","2012","77","","11034","11055","10.1021/jo302039n","","","0.71073","MoKα","","0.0714","0.0543","","","0.1061","0.1157","","","","","","1.074","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027780","8.7058","0.001","13.9305","0.0016","9.1612","0.001","90","","94.954","0.003","90","","1106.9","0.2","143","1","143","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N O6 S -","- C23 H27 N O6 S -","- C46 H54 N2 O12 S2 -","2","1","","Trung Cao; Elizabeth C. Linton; Joshua Deitch; Simon Berritt; Marisa C. Kozlowski","Copper(II)- and Palladium(II)-Catalyzed Enantioselective Claisen Rearrangement of Allyloxy- and Propargyloxy-Indoles to Quaternary Oxindoles and Spirocyclic Lactones","Journal of Organic Chemistry","2012","77","","11034","11055","10.1021/jo302039n","","","0.71073","MoKα","","0.0495","0.0442","","","0.1074","0.113","","","","","","1.05","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027781","8.601","0.0003","8.487","0.0002","13.3739","0.0004","90","","105.396","0.004","90","","941.22","0.05","291","2","291","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H18 Cl N O2 -","- C23 H18 Cl N O2 -","- C46 H36 Cl2 N2 O4 -","2","1","","Jian Zuo; Yu-Hua Liao; Xiao-Mei Zhang; Wei-Cheng Yuan","Organocatalyzed Enantioselective Decarboxylative Stereoablation Reaction for the Construction of 3,3'-Disubstituted Oxindoles Using β-Ketoacids and 3-Halooxindoles","Journal of Organic Chemistry","2012","77","","11325","11332","10.1021/jo302048v","","","0.71073","MoKα","","0.0606","0.0494","","","0.1267","0.1362","","","","","","1.047","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027782","15.906","0.004","14.318","0.003","18.234","0.004","90","","97.792","0.004","90","","4114.3","1.6","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C24 H21 F N2 O2 S -","- C24 H21 F N2 O2 S -","- C192 H168 F8 N16 O16 S8 -","8","2","","B. V. Subba Reddy; Manisha Swain; S.Madhusudana Reddy; J. S. Yadav; B. Sridhar","Gold-Catalyzed Domino Cycloisomerization/Pictet-Spengler Reaction of 2-(4-Aminobut-1-yn-1-yl)anilines with Aldehydes: Synthesis of Tetrahydropyrido[4,3-b]indole Scaffolds","Journal of Organic Chemistry","2012","77","","11355","11361","10.1021/jo302068e","","","0.71073","MoKα","","0.0574","0.0395","","","0.1003","0.1193","","","","","","1.063","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027783","42.1835","0.0012","8.6921","0.0002","31.6239","0.0008","90","","99","0.002","90","","11452.6","0.5","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C69 H77 O9 -","- C69 H77 O9 -","- C552 H616 O72 -","8","1","","Di Wu; Hua Zhang; Jinhua Liang; Haojie Ge; Chunyan Chi; Jishan Wu; Sheng Hua Liu; Jun Yin","Functionalized Coronenes: Synthesis, Solid Structure, and Properties","Journal of Organic Chemistry","2012","77","","11319","11324","10.1021/jo302093t","","","1.54178","CuKα","","0.1293","0.1139","","","0.3468","0.3612","","","","","","1.684","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027784","12.2923","0.0015","13.5731","0.0018","17.213","0.002","108.91","0.006","92.79","0.006","95.513","0.006","2694.6","0.6","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C66 H72 O6 -","- C66 H72 O6 -","- C132 H144 O12 -","2","1","","Di Wu; Hua Zhang; Jinhua Liang; Haojie Ge; Chunyan Chi; Jishan Wu; Sheng Hua Liu; Jun Yin","Functionalized Coronenes: Synthesis, Solid Structure, and Properties","Journal of Organic Chemistry","2012","77","","11319","11324","10.1021/jo302093t","","","1.54178","CuKα","","0.2365","0.1981","","","0.5105","0.5513","","","","","","2.516","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027785","19.257","0.005","34.153","0.009","18.252","0.005","90","","101.264","0.004","90","","11773","5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C66 H72 O6 -","- C66 H72 O6 -","- C528 H576 O48 -","8","1","","Di Wu; Hua Zhang; Jinhua Liang; Haojie Ge; Chunyan Chi; Jishan Wu; Sheng Hua Liu; Jun Yin","Functionalized Coronenes: Synthesis, Solid Structure, and Properties","Journal of Organic Chemistry","2012","77","","11319","11324","10.1021/jo302093t","","","0.71073","MoKα","","0.1698","0.1341","","","0.3717","0.4108","","","","","","1.721","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027786","23.0609","0.0009","23.0609","0.0009","27.0102","0.0009","90","","90","","90","","14364.2","0.9","120","","120","","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C33 H29.5 N O4 -","- C33 H29.5 N O4 -","- C528 H472 N16 O64 -","16","1","","Mikhail A. Filatov; Stanislav Baluschev; Iliyana Z. Ilieva; Volker Enkelmann; Tzenka Miteva; Katharina Landfester; Sergey E. Aleshchenkov; Andrei V. Cheprakov","Tetraaryltetraanthra[2,3]porphyrins: Synthesis, Structure, and Optical Properties","Journal of Organic Chemistry","2012","77","","11119","11131","10.1021/jo302135q","","","0.71073","MoKα","","0.0941","0.0407","","0.1145","0.0584","0.0584","","","","","","0.9801","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4027787","10.7606","0.0014","21.095","0.003","9.8744","0.0013","90","","92.642","0.003","90","","2239.1","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C27 H28 N2 O4 -","- C27 H28 N2 O4 -","- C108 H112 N8 O16 -","4","1","","Prakash R. Sultane; Ramakrishna G. Bhat","Stereoselective Approach to cis-2,3-Disubstituted Piperidines via Reduction of N-Acyliminium Ion Intermediate: Enantioselective Synthesis of (+)-(2S,3S)-CP-99,994","Journal of Organic Chemistry","2012","77","","11349","11354","10.1021/jo302181k","","","0.71073","MoKα","","0.1542","0.0619","","","0.1354","0.182","","","","","","0.867","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027788","11.8172","0.0015","14.954","0.002","20.549","0.003","70.961","0.005","84.168","0.005","88.955","0.005","3414.5","0.8","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H25 Cl3 F3 N3 -","- C42 H25 Cl3 F3 N3 -","- C168 H100 Cl12 F12 N12 -","4","2","","Yi-Lin Wu; Mihaiela C. Stuparu; Corinne Boudon; Jean-Paul Gisselbrecht; W. Bernd Schweizer; Kim K. Baldridge; Jay S. Siegel; François Diederich","Structural, Optical, and Electrochemical Properties of Three-Dimensional Push-Pull Corannulenes","Journal of Organic Chemistry","2012","77","","11014","11026","10.1021/jo302217n","","","0.71073","MoKα","","0.1606","0.0689","","","0.1372","0.1683","","","","","","1.107","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027789","10.1646","0.0006","8.383","0.0007","11.7462","0.0007","90","","99.691","0.006","90","","986.61","0.12","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H21 I O2 -","- C22 H21 I O2 -","- C44 H42 I2 O4 -","2","1","","Jisong Jin; Yan Luo; Chao Zhou; Xiaopeng Chen; Qiaodong Wen; Ping Lu; Yanguang Wang","Synthesis of Indeno[1,2-c]furans via a Pd-Catalyzed Bicyclization of 2-Alkynyliodobenzene and Propargylic Alcohol","Journal of Organic Chemistry","2012","77","","11368","11371","10.1021/jo302223y","","","0.71073","MoKα","","0.0506","0.0394","","","0.0876","0.095","","","","","","1.047","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027790","9.5857","0.0006","10.227","0.0006","12.6649","0.001","71.274","0.006","74.494","0.006","88.393","0.005","1130.78","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C31 H24 O -","- C31 H24 O -","- C62 H48 O2 -","2","1","","Jisong Jin; Yan Luo; Chao Zhou; Xiaopeng Chen; Qiaodong Wen; Ping Lu; Yanguang Wang","Synthesis of Indeno[1,2-c]furans via a Pd-Catalyzed Bicyclization of 2-Alkynyliodobenzene and Propargylic Alcohol","Journal of Organic Chemistry","2012","77","","11368","11371","10.1021/jo302223y","","","0.71073","MoKα","","0.0717","0.048","","","0.118","0.137","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027791","10.461","0.005","8.172","0.004","16.1","0.007","90","","95.244","0.008","90","","1370.6","1.1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H19 N3 O3 -","- C14 H19 N3 O3 -","- C56 H76 N12 O12 -","4","1","","Ingrid-Suzy Tamgho; James T. Engle; Christopher J. Ziegler","Phthalocrowns: Isoindoline-Crown Ether Macrocycles","Journal of Organic Chemistry","2012","77","","11372","11376","10.1021/jo302227z","","","0.71073","MoKα","","0.0597","0.0484","","","0.1205","0.1275","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027792","8.9063","0.0003","10.331","0.0003","13.8954","0.0004","90","","90","","90","","1278.53","0.07","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 N3 O2 -","- C14 H17 N3 O2 -","- C56 H68 N12 O8 -","4","1","","Ingrid-Suzy Tamgho; James T. Engle; Christopher J. Ziegler","Phthalocrowns: Isoindoline-Crown Ether Macrocycles","Journal of Organic Chemistry","2012","77","","11372","11376","10.1021/jo302227z","","","1.54178","CuKα","","0.0259","0.0257","","","0.0734","0.0737","","","","","","0.972","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027793","8.719","0.002","15.485","0.004","11.213","0.003","90","","97.564","0.003","90","","1500.7","0.7","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 N2 O4 -","- C16 H20 N2 O4 -","- C64 H80 N8 O16 -","4","1","","Ingrid-Suzy Tamgho; James T. Engle; Christopher J. Ziegler","Phthalocrowns: Isoindoline-Crown Ether Macrocycles","Journal of Organic Chemistry","2012","77","","11372","11376","10.1021/jo302227z","","","0.71073","MoKα","","0.0441","0.0382","","","0.1216","0.1304","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4027794","10.569","0.0005","21.4775","0.0014","11.5781","0.0007","90","","98.834","0.002","90","","2597","0.3","150","2","150","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H29 N5 O5 -","- C28 H29 N5 O5 -","- C112 H116 N20 O20 -","4","1","","Tarik Legdali; Amandine Roux; Carlos Platas-Iglesias; Franck Camerel; Aline M. Nonat; Loïc J. Charbonnière","Substitution-Assisted Stereochemical Control of Bispidone-Based Ligands","Journal of Organic Chemistry","2012","77","","11167","11176","10.1021/jo302248c","","x-ray","0.71073","MoKα","","0.0604","0.041","","","0.0993","0.1095","","","","","","1.03","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027795","14.8091","0.0004","11.8613","0.0004","14.8551","0.0004","90","","100.775","0.002","90","","2563.37","0.13","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H30 N4 O7 -","- C26 H30 N4 O7 -","- C104 H120 N16 O28 -","4","1","","Tarik Legdali; Amandine Roux; Carlos Platas-Iglesias; Franck Camerel; Aline M. Nonat; Loïc J. Charbonnière","Substitution-Assisted Stereochemical Control of Bispidone-Based Ligands","Journal of Organic Chemistry","2012","77","","11167","11176","10.1021/jo302248c","","","0.71073","MoKα","","0.0832","0.0566","","","0.1418","0.1555","","","","","","1.054","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027796","36.2985","0.0006","34.2014","0.0008","9.2314","0.0002","90","","90","","90","","11460.4","0.4","173","2","173","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C29 H34 N4 O9 -","- C29 H34 N4 O9 -","- C464 H544 N64 O144 -","16","1","","Tarik Legdali; Amandine Roux; Carlos Platas-Iglesias; Franck Camerel; Aline M. Nonat; Loïc J. Charbonnière","Substitution-Assisted Stereochemical Control of Bispidone-Based Ligands","Journal of Organic Chemistry","2012","77","","11167","11176","10.1021/jo302248c","","","0.71073","MoKα","","0.049","0.0435","","","0.1086","0.1164","","","","","","1.073","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4027797","10.658","0.0003","7.345","0.0003","16.586","0.0008","90","","90","","90","","1298.4","0.09","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C29 H44 O5 -","- C29 H44 O5 -","- C58 H88 O10 -","2","1","","Izabella Jastrzębska; Marcin Górecki; Jadwiga Frelek; Rosa Santillan; Leszek Siergiejczyk; Jacek W. Morzycki","Photoinduced Isomerization of 23-Oxosapogenins: Conformational Analysis and Spectroscopic Characterization of 22-Isosapogenins","Journal of Organic Chemistry","2012","77","","11257","11269","10.1021/jo3022549","","","0.71073","MoKα","","0.0537","0.0492","","","0.1259","0.1303","","","","","","1.049","","","","has coordinates","178456","2020-10-21","18:00:00",""
"4027798","7.8847","0.0003","8.9681","0.0003","14.7329","0.0005","90","","102.011","0.005","90","","1018.97","0.06","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C20 H18 Br N O8 -","- C20 H18 Br N O8 -","- C40 H36 Br2 N2 O16 -","2","1","","Fernando Cagide-Fagín; Olaia Nieto-García; Hugo Lago-Santomé; Ricardo Alonso","Enantioselective Synthesis of Protected Nitrocyclohexitols with Five Stereocenters. Total Synthesis of (+)-Pancratistatin","Journal of Organic Chemistry","2012","77","","11377","11382","10.1021/jo3022567","","x-ray","0.7107","MoKα","","0.045","0.035","","","0.069","0.0711","","","","","","1.233","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027799","12.6347","0.0019","13.4144","0.0019","18.718","0.003","92.426","0.003","103.155","0.002","104.145","0.003","2979.4","0.8","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C92 H110 N30 O28 P4 Zn4 -","- C92 H110 N30 O28 P4 Zn4 -","- C92 H110 N30 O28 P4 Zn4 -","1","0.5","","Feihu Huang; Chen Cheng; Guoqiang Feng","Introducing Ligand-Based Hydrogen Bond Donors to a Receptor: Both Selectivity and Binding Affinity for Anion Recognition in Water Can Be Improved","Journal of Organic Chemistry","2012","77","","11405","11408","10.1021/jo302271t","","","0.71073","MoKα","","0.098","0.0693","","","0.1964","0.2155","","","","","","0.997","","","","has coordinates,has disorder","178456","2020-10-21","18:00:00",""
"4027800","13.658","0.002","17.73","0.002","20.921","0.002","90","","94.411","0.003","90","","5051.1","1.1","123.2","","123.2","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C52 H64 O11 -","- C52 H60 O11 -","- C208 H240 O44 -","4","1","","Tomoki Ogoshi; Daiki Yamafuji; Daisuke Kotera; Takamichi Aoki; Shuhei Fujinami; Tada-aki Yamagishi","Clickable Di- and Tetrafunctionalized Pillar[n]arenes (n= 5, 6) by Oxidation-Reduction of Pillar[n]arene Units","Journal of Organic Chemistry","2012","77","","11146","11152","10.1021/jo302283n","","","0.7107","MoKα","","","0.0688","","","","0.1114","","","","","","1.798","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4037597","11.7586","0.0014","9.4191","0.0011","9.2033","0.0011","90","","104.092","0.001","90","","988.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H12 O -","- C13 H12 O -","- C52 H48 O4 -","4","1","","Tummatorn, Jumreang; Batsomboon, Paratchata; Clark, Ronald J.; Alabugin, Igor V.; Dudley, Gregory B.","Strain-promoted azide-alkyne cycloadditions of benzocyclononynes.","The Journal of organic chemistry","2012","77","5","2093","2097","10.1021/jo300188y","","","0.71073","MoKα","","0.042","0.0385","","","0.1019","0.1052","","","","","","1.068","","","","has coordinates","243435","2020-10-21","18:00:00",""
"4037598","13.1194","0.0018","7.826","0.0011","14.852","0.002","90","","114.635","0.001","90","","1386.1","0.3","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Tummatorn, Jumreang; Batsomboon, Paratchata; Clark, Ronald J.; Alabugin, Igor V.; Dudley, Gregory B.","Strain-promoted azide-alkyne cycloadditions of benzocyclononynes.","The Journal of organic chemistry","2012","77","5","2093","2097","10.1021/jo300188y","","","0.71073","MoKα","","0.0486","0.0425","","","0.1097","0.1147","","","","","","1.009","","","","has coordinates","243436","2020-10-21","18:00:00",""
"4037599","16.6113","0.0001","12.4437","0.0001","17.761","0.0002","90","","90","","90","","3671.31","0.06","110","2","110","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","'3',5'-Dibromo-3,5-diphenyl-[4,4']bipyridinyl'","","- C22 H14 Br2 N2 -","- C22 H14 Br2 N2 -","- C176 H112 Br16 N16 -","8","1","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","1.5418","CuKα","","0.0255","0.025","","","0.0673","0.0676","","","","","","1.101","","","","has coordinates","243437","2020-10-21","18:00:00",""
"4037600","8.2955","0.0002","14.6494","0.0003","35.3289","0.0007","90","","94.144","0.002","90","","4282.09","0.16","110","2","110","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H18 Br2 N2 O2 -","- C24 H18 Br2 N2 O2 -","- C192 H144 Br16 N16 O16 -","8","4","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.71073","MoKα","","0.0594","0.045","","","0.0673","0.0711","","","","","","1.095","","","","has coordinates","243439","2020-10-21","18:00:00",""
"4037601","7.7417","0.0004","11.2941","0.0006","10.329","0.0004","90","","90","","90","","903.12","0.08","110","2","110","2","","","","","","","","4","P n c 2","P 2 -2bc","30","","'3,5'-Dibromo-5,3'-diphenyl-[4,4']bipyridinyl'","","- C22 H14 Br2 N2 -","- C22 H14 Br2 N2 -","- C44 H28 Br4 N4 -","2","0.5","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0426","0.0372","","","0.0905","0.0945","","","","","","1.071","","","","has coordinates","243440","2020-10-21","18:00:00",""
"4037602","11.8083","0.0002","11.954","0.0002","19.8145","0.0003","90","","90","","90","","2796.94","0.08","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C34 H22 Br2 Fe2 N2 -","- C34 H22 Br2 Fe2 N2 -","- C136 H88 Br8 Fe8 N8 -","4","1","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0435","0.035","","","0.0639","0.0666","","","","","","1.097","","","","has coordinates","243441","2020-10-21","18:00:00",""
"4037603","8.078","0.0001","11.2993","0.0001","15.5039","0.0002","102.689","0.001","98.153","0.001","90.893","0.001","1365.01","0.03","110","2","110","2","","","","","","","","5","P 1","P 1","1","","'5,5'-Dibromo-3,3'-diiodo-[4,4']bipyridinyl'","","- C10 H4 Br2 I2 N2 -","- C10 H4 Br2 I2 N2 -","- C40 H16 Br8 I8 N8 -","4","4","","Mamane, Victor; Aubert, Emmanuel; Peluso, Paola; Cossu, Sergio","Synthesis, resolution, and absolute configuration of chiral 4,4'-bipyridines.","The Journal of organic chemistry","2012","77","6","2579","2583","10.1021/jo300286z","","","0.7107","MoKα","","0.0361","0.0317","","","0.0685","0.0707","","","","","","1.063","","","","has coordinates","243442","2020-10-21","18:00:00",""
"4037604","14.743","0.003","15.881","0.003","9.4082","0.0018","90","","102.849","0.004","90","","2147.6","0.7","170","2","170","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C60 H50 -","- C60 H50 -","- C120 H100 -","2","0.5","","Lee, Yeon Ok; Pradhan, Tuhin; Yoo, Sangwook; Kim, Tae Hyun; Kim, Joohoon; Kim, Jong Seung","Enhanced electrogenerated chemiluminescence of phenylethynylpyrene derivatives: use of weakly electron-donating group as a substituent.","The Journal of organic chemistry","2012","77","24","11007","11013","10.1021/jo3010974","","","0.71073","MoKα","","0.1782","0.0505","","","0.1043","0.1238","","","","","","0.89","","","","has coordinates","243443","2020-10-21","18:00:00",""