# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T11:55:41+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 'The Journal of organic chemistry') AND volume = 74 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
"4024210","14.9216","0.0002","17.772","0.0002","19.357","0.0002","92.121","0.001","110.495","0.001","96.432","0.001","4761.98","0.1","100","2","100","2","","","","","","","","2","P -1","-P 1","2","","6,13(2,3-triphenyleno)-6,13(di-1-butyl)-a,c,l,n-tetrabenzopentacene","","- C70 H54 -","- C70 H54 -","- C280 H216 -","4","2","","Cameron L. Hilton; Christopher R. Jamison; Hannah K. Zane; Benjamin T. King","A Triphenylene-Based Triptycene with Large Free Volume Synthesized by Zirconium-Mediated Biphenylation","Journal of Organic Chemistry","2009","74","","405","407","10.1021/jo801643u","","","0.71073","MoKα","","0.1052","0.0601","","","0.1572","0.1847","","","","","","0.985","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024211","9.377","0.0002","10.8057","0.0002","14.9048","0.0003","106.194","0.001","91.617","0.001","106.409","0.001","1381.82","0.05","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","2,3,6,7,12,13-hexabromo-9,10-dibutyltriptycene","","- C28 H24 Br6 -","- C28 H24 Br6 -","- C56 H48 Br12 -","2","1","","Cameron L. Hilton; Christopher R. Jamison; Hannah K. Zane; Benjamin T. King","A Triphenylene-Based Triptycene with Large Free Volume Synthesized by Zirconium-Mediated Biphenylation","Journal of Organic Chemistry","2009","74","","405","407","10.1021/jo801643u","","","0.71073","MoKα","","0.0365","0.0242","","","0.0533","0.0568","","","","","","1.042","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024212","20.3011","0.0005","8.4982","0.0002","13.5289","0.0003","90","","122.365","0.001","90","","1971.46","0.08","100","2","100","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","9,10-dibutyltriptycene","9,10-dibutyl-9,10(1,2-dibenzo)anthracene","","- C28 H30 -","- C28 H30 -","- C112 H120 -","4","0.5","","Cameron L. Hilton; Christopher R. Jamison; Hannah K. Zane; Benjamin T. King","A Triphenylene-Based Triptycene with Large Free Volume Synthesized by Zirconium-Mediated Biphenylation","Journal of Organic Chemistry","2009","74","","405","407","10.1021/jo801643u","","","0.71073","MoKα","","0.0504","0.0455","","","0.1226","0.1295","","","","","","1.05","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024213","9.3588","0.0003","10.6539","0.0003","12.7806","0.0004","71.319","0.001","83.604","0.001","83.15","0.001","1194.94","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,3,6,7,12,13-hexabromotriptycene","","- C23 H14 Br6 O -","- C23 H14 Br6 O -","- C46 H28 Br12 O2 -","2","1","","Cameron L. Hilton; Christopher R. Jamison; Hannah K. Zane; Benjamin T. King","A Triphenylene-Based Triptycene with Large Free Volume Synthesized by Zirconium-Mediated Biphenylation","Journal of Organic Chemistry","2009","74","","405","407","10.1021/jo801643u","","","0.71073","MoKα","","0.0523","0.0333","","","0.0746","0.083","","","","","","1.04","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024214","15.4178","0.0008","9.5733","0.0005","15.4178","0.0008","90","","117.43","","90","","2019.72","0.18","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2,3,6,7,12,13-hexabromotriptycene","","- C20 H8 Br6 -","- C20 H8 Br6 -","- C80 H32 Br24 -","4","1","","Cameron L. Hilton; Christopher R. Jamison; Hannah K. Zane; Benjamin T. King","A Triphenylene-Based Triptycene with Large Free Volume Synthesized by Zirconium-Mediated Biphenylation","Journal of Organic Chemistry","2009","74","","405","407","10.1021/jo801643u","","","0.71073","MoKα","","0.0598","0.0316","","","0.0654","0.0728","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024215","15.851","0.002","19.184","0.003","23.951","0.004","90","","90","","90","","7282.8","1.8","173","2","173","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C40 H42 B N7 P Rh -","- C40 H42 B N7 P Rh -","- C320 H336 B8 N56 P8 Rh8 -","8","1","","Jun Yang; Anthony Sabarre; Lauren R. Fraser; Brian O. Patrick; Jennifer A. Love","Synthesis of 1,1-Disubstituted Alkyl Vinyl Sulfides via Rhodium-Catalyzed Alkyne Hydrothiolation: Scope and Limitations","Journal of Organic Chemistry","2009","74","","182","187","10.1021/jo801644s","","","0.71073","MoKα","","0.0336","0.0241","","","0.0581","0.0657","","","","","","1.081","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024216","4.0595","0.0002","6.8131","0.0003","39.3862","0.0018","90","","90","","90","","1089.33","0.09","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H7 I N4 -","- C11 H7 I N4 -","- C44 H28 I4 N16 -","4","1","","Ghenia Bentabed-Ababsa; Fernando Blanco; Aïcha Derdour; Florence Mongin; François Trécourt; Guy Quéguiner; Rafael Ballesteros; Belén Abarca","Deprotonative Magnesation and Cadmation of [1,2,3]Triazolo[1,5-a]pyridines","Journal of Organic Chemistry","2009","74","","163","169","10.1021/jo801675h","","x-ray","0.71073","MoKα","","0.0323","0.0315","","","0.0793","0.0798","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024217","6.5313","0.0002","13.5186","0.0005","7.7087","0.0003","90","","93.291","0.001","90","","679.51","0.04","120","2","120","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H4 I N3 -","- C6 H4 I N3 -","- C24 H16 I4 N12 -","4","1","","Ghenia Bentabed-Ababsa; Fernando Blanco; Aïcha Derdour; Florence Mongin; François Trécourt; Guy Quéguiner; Rafael Ballesteros; Belén Abarca","Deprotonative Magnesation and Cadmation of [1,2,3]Triazolo[1,5-a]pyridines","Journal of Organic Chemistry","2009","74","","163","169","10.1021/jo801675h","","x-ray","0.71073","MoKα","","0.0291","0.0232","","","0.0561","0.0591","","","","","","1.143","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024218","4.3247","0.0005","6.9071","0.0007","13.3984","0.0014","90","","97.715","0.004","90","","396.6","0.07","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C7 H3 I N4 -","- C7 H3 I N4 -","- C14 H6 I2 N8 -","2","1","","Ghenia Bentabed-Ababsa; Fernando Blanco; Aïcha Derdour; Florence Mongin; François Trécourt; Guy Quéguiner; Rafael Ballesteros; Belén Abarca","Deprotonative Magnesation and Cadmation of [1,2,3]Triazolo[1,5-a]pyridines","Journal of Organic Chemistry","2009","74","","163","169","10.1021/jo801675h","","x-ray","0.71073","MoKα","","0.012","0.0119","","","0.03","0.03","","","","","","1.127","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024219","9.1218","0.0006","9.8426","0.0007","10.7786","0.0007","101.029","0.002","112.749","0.001","91.45","0.001","870.68","0.1","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H24 N4 O4 -","- C16 H24 N4 O4 -","- C32 H48 N8 O8 -","2","1","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0724","0.045","","","0.1116","0.1243","","","","","","0.937","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024220","8.1119","0.0009","23.87","0.003","8.8068","0.001","90","","90","","90","","1705.3","0.3","294","2","294","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C16 H24 N4 O4 -","- C16 H24 N4 O4 -","- C64 H96 N16 O16 -","4","1","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0358","0.0321","","","0.0738","0.0772","","","","","","1.089","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024221","12.8503","0.0007","12.9078","0.0007","44.377","0.003","90","","97.186","0.001","90","","7303","0.7","150","2","150","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H28 N4 O2 -","- C18 H28 N4 O2 -","- C288 H448 N64 O32 -","16","4","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0563","0.0438","","","0.1061","0.1124","","","","","","1.002","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024222","16.33","0.0006","16.1503","0.0006","8.5508","0.0003","90","","90","","90","","2255.14","0.14","150","1","150","1","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C19 H32 N4 O6 -","- C19 H32 N4 O6 -","- C76 H128 N16 O24 -","4","0.5","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0406","0.0342","","","0.0905","0.0945","","","","","","1.05","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024223","9.1808","0.0005","15.9331","0.0009","16.1761","0.0009","90","","97.11","0.001","90","","2348","0.2","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H34 N4 O8 -","- C20 H34 N4 O8 -","- C80 H136 N16 O32 -","4","1","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0434","0.0382","","","0.1053","0.1095","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024224","8.7415","0.0006","22.665","0.0016","10.2718","0.0007","90","","103.32","0.002","90","","1980.4","0.2","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H30 N4 O5 -","- C19 H30 N4 O5 -","- C76 H120 N16 O20 -","4","1","","Jun Yang; Mahender B. Dewal; David Sobransingh; Mark D. Smith; Yuewen Xu; Linda S. Shimizu","Examination of the Structural Features That Favor the Columnar Self-Assembly of Bis-urea Macrocycles","Journal of Organic Chemistry","2009","74","","102","110","10.1021/jo801717w","","","0.71073","MoKα","","0.0669","0.0534","","","0.1151","0.1213","","","","","","1.109","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024225","6.4087","0.0008","17.125","0.002","19.009","0.003","90","","90","","90","","2086.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 O8 P -","- C21 H23 O8 P -","- C84 H92 O32 P4 -","4","1","","Silvano Cruz-Gregorio; Vicente Rodríguez-Palacios; Herbert Höfl; Leticia Quintero; Fernando Sartillo-Piscil","Six-Membered Ring Phosphates and Phosphonates As Model Compounds for Cyclic Phosphate Prodrugs: Is the Anomeric Effect Involved in the Selective and Spontaneous Cleavage of Cyclic Phosphate Prodrugs?","Journal of Organic Chemistry","2009","74","","197","205","10.1021/jo8017473","","","0.71073","MoKα","","0.0908","0.065","","","0.108","0.1162","","","","","","1.075","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024226","12.5781","0.0017","5.6986","0.0008","14.879","0.002","90","","109.526","0.002","90","","1005.2","0.2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Cl O7 P -","- C20 H20 Cl O7 P -","- C40 H40 Cl2 O14 P2 -","2","1","","Silvano Cruz-Gregorio; Vicente Rodríguez-Palacios; Herbert Höfl; Leticia Quintero; Fernando Sartillo-Piscil","Six-Membered Ring Phosphates and Phosphonates As Model Compounds for Cyclic Phosphate Prodrugs: Is the Anomeric Effect Involved in the Selective and Spontaneous Cleavage of Cyclic Phosphate Prodrugs?","Journal of Organic Chemistry","2009","74","","197","205","10.1021/jo8017473","","","0.71073","MoKα","","0.0477","0.0413","","","0.0946","0.0978","","","","","","1.044","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024227","7.4778","0.0005","18.2738","0.0013","7.7736","0.0005","90","","114.183","0.001","90","","969.02","0.11","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H27 O8 P -","- C18 H27 O8 P -","- C36 H54 O16 P2 -","2","1","","Silvano Cruz-Gregorio; Vicente Rodríguez-Palacios; Herbert Höfl; Leticia Quintero; Fernando Sartillo-Piscil","Six-Membered Ring Phosphates and Phosphonates As Model Compounds for Cyclic Phosphate Prodrugs: Is the Anomeric Effect Involved in the Selective and Spontaneous Cleavage of Cyclic Phosphate Prodrugs?","Journal of Organic Chemistry","2009","74","","197","205","10.1021/jo8017473","","","0.71073","MoKα","","0.0303","0.0296","","","0.0781","0.0787","","","","","","1.024","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024228","7.9117","0.0005","14.4385","0.0009","16.3254","0.0011","90","","90","","90","","1864.9","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 Cl F3 N O3 S -","- C19 H15 Cl F3 N O3 S -","- C76 H60 Cl4 F12 N4 O12 S4 -","4","1","","M. Belén Cid; Jesús López-Cantarero; Sara Duce; José Luis García Ruano","Enantioselective Organocatalytic Approach to the Synthesis of α,α-Disubstituted Cyanosulfones","Journal of Organic Chemistry","2009","74","","431","434","10.1021/jo801968p","","","0.71073","MoKα","","0.0319","0.0297","","","0.0757","0.0769","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024229","6.8461","0.0001","14.8555","0.0002","19.2378","0.0003","90","","90.401","0.001","90","","1956.48","0.05","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H18 F3 N O3 S -","- C21 H18 F3 N O3 S -","- C84 H72 F12 N4 O12 S4 -","4","2","","M. Belén Cid; Jesús López-Cantarero; Sara Duce; José Luis García Ruano","Enantioselective Organocatalytic Approach to the Synthesis of α,α-Disubstituted Cyanosulfones","Journal of Organic Chemistry","2009","74","","431","434","10.1021/jo801968p","","","1.54178","CuKα","","0.034","0.0337","","","0.0875","0.0877","","","","","","1.088","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024230","9.5696","0.0003","19.2499","0.0005","9.8027","0.0002","90","","104.089","0.001","90","","1751.47","0.08","153","2","153","2","","","","","","","","9","P 1 21 1","P 2yb","4","","","","- C34 H37 F6 N O P Pd S Sb -","- C34 H37 F6 N O P Pd S Sb -","- C68 H74 F12 N2 O2 P2 Pd2 S2 Sb2 -","2","1","","Hongshan Lai; Zhiyan Huang; Qiong Wu; Yong Qin","Synthesis of Novel Enantiopure Biphenyl P,N-Ligands and Application in Palladium-Catalyzed Asymmetric Addition of Arylboronic Acids to N-Benzylisatin","Journal of Organic Chemistry","2009","74","","283","288","10.1021/jo802036m","","","0.71073","MoKα","","0.0272","0.0253","","","0.0574","0.0584","","","","","","0.998","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024231","6.212","0.003","7.42","0.004","13.04","0.006","90.105","0.007","94.926","0.008","90.416","0.007","598.8","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H11 Cl O2 -","- C15 H11 Cl O2 -","- C30 H22 Cl2 O4 -","2","1","","Li Lu; Xue-Yuan Liu; Xing-Zhong Shu; Ke Yang; Ke-Gong Ji; Yong-Min Liang","Platinum-Catalyzed Cycloisomerization Reaction of 1,6-Enyne Coupling with Rearrangement of Propargylic Esters","Journal of Organic Chemistry","2009","74","","474","477","10.1021/jo802043z","","","0.71073","MoKα","","0.0448","0.0404","","","0.1076","0.1164","","","","","","0.571","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024232","26.372","0.005","5.6563","0.0011","20.652","0.004","90","","108.83","0.03","90","","2915.7","1","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H16 F2 O4 -","- C18 H16 F2 O4 -","- C144 H128 F16 O32 -","8","1","","Peter Valente; Thomas D. Avery; Dennis K. Taylor; Edward R. T. Tiekink","Synthesis and Chemistry of 2,3-Dioxabicyclo[2.2.2]octane-5,6-diols","Journal of Organic Chemistry","2009","74","","274","282","10.1021/jo8020506","","","0.71073","MoKα","","0.08","0.065","","","0.151","0.161","","","","","","1.13","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024233","9.3219","0.0005","10.5827","0.0019","11.9459","0.0016","83.63","0.02","68.448","0.013","73.18","0.02","1049.2","0.2","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C10 H20 O4 -","- C10 H20 O4 -","- C40 H80 O16 -","4","2","","Peter Valente; Thomas D. Avery; Dennis K. Taylor; Edward R. T. Tiekink","Synthesis and Chemistry of 2,3-Dioxabicyclo[2.2.2]octane-5,6-diols","Journal of Organic Chemistry","2009","74","","274","282","10.1021/jo8020506","","","0.71073","MoKα","","0.044","0.043","","","0.127","0.129","","","","","","1.15","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024234","6.6","0.003","9.507","0.004","17.683","0.007","90","","93.003","0.007","90","","1108","0.7","98","2","98","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H20 O4 -","- C10 H20 O4 -","- C40 H80 O16 -","4","2","","Peter Valente; Thomas D. Avery; Dennis K. Taylor; Edward R. T. Tiekink","Synthesis and Chemistry of 2,3-Dioxabicyclo[2.2.2]octane-5,6-diols","Journal of Organic Chemistry","2009","74","","274","282","10.1021/jo8020506","","","0.71073","MoKα","","0.05","0.046","","","0.096","0.099","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024235","17.7305","0.0012","17.6079","0.0012","20.3449","0.0013","90","","93.101","0.001","90","","6342.3","0.7","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C145 H164 O17 -","- C145 H164 O17 -","- C290 H328 O34 -","2","0.5","","Lev Kuno; Silvio E. Biali","Isotopic Perturbation of the Conformational Equilibrium in Methylene-Functionalized Calixarenes","Journal of Organic Chemistry","2009","74","","48","57","10.1021/jo8020538","","","0.71073","MoKα","","0.0903","0.0727","","","0.1963","0.2081","","","","","","1.037","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024236","14.1975","0.0019","14.937","0.002","8.9175","0.0012","90","","90","","90","","1891.2","0.4","293","2","293","2","","","","","","","","2","P 21 21 2","P 2 2ab","18","","","","- C26 H20 -","- C26 H20 -","- C104 H80 -","4","1","","Hui Huang; Timothy Stewart; Matthias Gutmann; Takashi Ohhara; Nobuo Niimura; Yu-Xue Li; Jian-Feng Wen; Robert Bau; Henry N. C. Wong","To Flip or Not To Flip? Assessing the Inversion Barrier of the Tetraphenylene Framework with Enantiopure 2,15-Dideuteriotetraphenylene and 2,7-Dimethyltetraphenylene","Journal of Organic Chemistry","2009","74","","359","369","10.1021/jo802061p","","","0.71073","MoKα","","0.0435","0.0364","","","0.0967","0.0998","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024237","13.2112","0.0019","17.063","0.003","18.018","0.003","90","","90","","90","","4061.8","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C46 H48 O8 S2 -","- C46 H48 O8 S2 -","- C184 H192 O32 S8 -","4","1","","Hui Huang; Timothy Stewart; Matthias Gutmann; Takashi Ohhara; Nobuo Niimura; Yu-Xue Li; Jian-Feng Wen; Robert Bau; Henry N. C. Wong","To Flip or Not To Flip? Assessing the Inversion Barrier of the Tetraphenylene Framework with Enantiopure 2,15-Dideuteriotetraphenylene and 2,7-Dimethyltetraphenylene","Journal of Organic Chemistry","2009","74","","359","369","10.1021/jo802061p","","","0.71073","MoKα","","0.134","0.0487","","","0.0682","0.0794","","","","","","0.722","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024238","15.423","0.002","13.0638","0.0018","16.267","0.002","90","","100.976","0.002","90","","3217.6","0.8","30","2","30","2","","","","","","","","3","C 1 2 1","C 2y","5","tetraphenylene","Dideuteriotetraphenylene","","- C24 H12 D4 -","- C24 H12 D4 -","- C192 H96 D32 -","8","2","","Hui Huang; Timothy Stewart; Matthias Gutmann; Takashi Ohhara; Nobuo Niimura; Yu-Xue Li; Jian-Feng Wen; Robert Bau; Henry N. C. Wong","To Flip or Not To Flip? Assessing the Inversion Barrier of the Tetraphenylene Framework with Enantiopure 2,15-Dideuteriotetraphenylene and 2,7-Dimethyltetraphenylene","Journal of Organic Chemistry","2009","74","","359","369","10.1021/jo802061p","","neutron","0","polychromaticbeamofneutrons","","0.079","0.079","","","0.1991","0.1991","","","","","","1.023","","","","has coordinates","190777","2020-10-21","18:00:00",""
"4024239","7.964","0.004","11.56","0.005","16.232","0.007","73.108","0.008","81.205","0.009","72.258","0.008","1358.5","1.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H20 S7 Si2 -","- C22 H20 S7 Si2 -","- C44 H40 S14 Si4 -","2","1","","Chunli Li; Jianwu Shi; Li Xu; Yangguang Wang; Yanxiang Cheng; Hua Wang","Syntheses and Crystal Structures of Fused Thiophenes: [7]Helicene and Double Helicene, a D2-Symmetric Dimer of 3,3'-Bis(dithieno[2,3-b:3',2'-d]thiophene)","Journal of Organic Chemistry","2009","74","","408","411","10.1021/jo802080g","","","0.71073","MoKα","","0.0949","0.0485","","","0.0988","0.1175","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024240","8.0503","0.0018","9.591","0.002","9.965","0.002","85.848","0.004","79.656","0.004","68.223","0.004","702.9","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Br S3 Si -","- C11 H11 Br S3 Si -","- C22 H22 Br2 S6 Si2 -","2","1","","Chunli Li; Jianwu Shi; Li Xu; Yangguang Wang; Yanxiang Cheng; Hua Wang","Syntheses and Crystal Structures of Fused Thiophenes: [7]Helicene and Double Helicene, a D2-Symmetric Dimer of 3,3'-Bis(dithieno[2,3-b:3',2'-d]thiophene)","Journal of Organic Chemistry","2009","74","","408","411","10.1021/jo802080g","","","0.71073","MoKα","","0.048","0.0349","","","0.0881","0.093","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024241","11.4964","0.0016","14.345","0.002","15.846","0.002","90","","90","","90","","2613.3","0.7","296","2","296","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H22 S6 Si2 -","- C22 H22 S6 Si2 -","- C88 H88 S24 Si8 -","4","1","","Chunli Li; Jianwu Shi; Li Xu; Yangguang Wang; Yanxiang Cheng; Hua Wang","Syntheses and Crystal Structures of Fused Thiophenes: [7]Helicene and Double Helicene, a D2-Symmetric Dimer of 3,3'-Bis(dithieno[2,3-b:3',2'-d]thiophene)","Journal of Organic Chemistry","2009","74","","408","411","10.1021/jo802080g","","","0.71073","MoKα","","0.0437","0.0339","","","0.0785","0.0834","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024242","10.928","0.01","14.441","0.014","18.117","0.018","74.483","0.016","78.083","0.018","85.768","0.019","2695","4","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C44 H40 S12 Si4 -","- C44 H40 S12 Si4 -","- C88 H80 S24 Si8 -","2","1","","Chunli Li; Jianwu Shi; Li Xu; Yangguang Wang; Yanxiang Cheng; Hua Wang","Syntheses and Crystal Structures of Fused Thiophenes: [7]Helicene and Double Helicene, a D2-Symmetric Dimer of 3,3'-Bis(dithieno[2,3-b:3',2'-d]thiophene)","Journal of Organic Chemistry","2009","74","","408","411","10.1021/jo802080g","","","0.71073","MoKα","","0.3988","0.1351","","","0.2525","0.3675","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024243","8.6992","0.0003","9.7549","0.0004","13.8934","0.0006","83.301","0.003","86.487","0.003","69.316","0.002","1095.21","0.08","293","2","293","2","","","","","","","synthesized by the authors, see text","3","P -1","-P 1","2","","","","- C10 H18 O4 -","- C10 H18 O4 -","- C40 H72 O16 -","4","2","","Jean-François Brazeau; Philippe Mochirian; Michel Prévost; Yvan Guindon","Stereopentads Derived from a Sequence of Mukaiyama Aldolization and Free Radical Reduction on α-Methyl-β-alkoxy Aldehydes: A General Strategy for Efficient Polypropionate Synthesis","Journal of Organic Chemistry","2009","74","","64","74","10.1021/jo8021583","","","1.54178","CuKα","","0.0763","0.0455","","0.1214","","0.111","","","0.931","","","1.1","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024244","6.3406","0.0002","15.9727","0.0003","18.9708","0.0005","90","","90","","90","","1921.3","0.09","150","1","150","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 I2 N O2 S -","- C17 H19 I2 N O2 S -","- C68 H76 I8 N4 O8 S4 -","4","1","","Alena Rudolph; Nils Rackelmann; Marc-Olivier Turcotte-Savard; Mark Lautens","Application of Secondary Alkyl Halides to a Domino Aryl Alkylation Reaction for the Synthesis of Aromatic Heterocycles","Journal of Organic Chemistry","2009","74","","289","297","10.1021/jo802180h","","","0.71073","MoKα","","0.0639","0.0405","","","0.0889","0.1016","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024245","10.0109","0.0007","11.0993","0.0012","11.8283","0.0014","73.54","0.004","84.798","0.006","85.389","0.006","1253.2","0.2","150","1","150","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H26 N2 O6 S -","- C27 H26 N2 O6 S -","- C54 H52 N4 O12 S2 -","2","2","","Alena Rudolph; Nils Rackelmann; Marc-Olivier Turcotte-Savard; Mark Lautens","Application of Secondary Alkyl Halides to a Domino Aryl Alkylation Reaction for the Synthesis of Aromatic Heterocycles","Journal of Organic Chemistry","2009","74","","289","297","10.1021/jo802180h","","","0.71073","MoKα","","0.1384","0.0731","","","0.1636","0.2056","","","","","","1.025","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024246","25.862","0.001","12.875","0.001","20.539","0.001","90","","90","","90","","6838.9","0.7","122.4","0.5","122.4","0.5","","","","","","","","5","F d d 2","F 2 -2d","43","","trans-4-[6-(4-Nitrophenyl)hex-3-ene-1,5-diynyl]tetrathiafulvalene","","- C18 H9 N O2 S4 -","- C18 H9 N O2 S4 -","- C288 H144 N16 O32 S64 -","16","1","","Asbjørn S. Andersson; Lasse Kerndrup; Anders Ø. Madsen; Kristine Kilså; Mogens Brøndsted Nielsen; Philip R. La Porta; Ivan Biaggio","Synthesis and Characterization of Tetrathiafulvalene-Substituted Di- and Tetraethynylethenes with p-Nitrophenyl Acceptors","Journal of Organic Chemistry","2009","74","","375","382","10.1021/jo802190q","","","0.71073","MoKα","","0.038","0.0316","","","0.0755","0.0801","","","","","","1.069","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024247","7.203","0.001","7.444","0.0014","9.295","0.001","82.759","0.01","73.703","0.01","89.824","0.012","474.28","0.12","122","5","122.4","0.5","","","","","","","","5","P -1","-P 1","2","","cif-1-Bromo-4-4(4-nitrophenyl)but-1-en-3-yne","","- C10 H6 Br N O2 -","- C10 H6 Br N O2 -","- C20 H12 Br2 N2 O4 -","2","1","","Asbjørn S. Andersson; Lasse Kerndrup; Anders Ø. Madsen; Kristine Kilså; Mogens Brøndsted Nielsen; Philip R. La Porta; Ivan Biaggio","Synthesis and Characterization of Tetrathiafulvalene-Substituted Di- and Tetraethynylethenes with p-Nitrophenyl Acceptors","Journal of Organic Chemistry","2009","74","","375","382","10.1021/jo802190q","","","0.71073","MoKα","","0.0408","0.032","","","0.1166","0.1328","","","","","","1.013","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024248","14.8181","0.0016","7.9738","0.0009","14.4428","0.0015","90","","93.794","0.003","90","","1702.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 N2 O4 -","- C20 H16 N2 O4 -","- C80 H64 N8 O16 -","4","1","","Ji-Bao Xia; Xue-Qiang Wang; Shu-Li You","Synthesis of Biindolizines through Highly Regioselective Palladium-Catalyzed C-H Functionalization","Journal of Organic Chemistry","2009","74","","456","458","10.1021/jo802227u","","","0.71073","MoKα","","0.1263","0.0541","","","0.1087","0.1388","","","","","","0.863","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024249","8.915","0.0005","9.0415","0.0005","13.2976","0.0007","85.139","0.001","72.634","0.001","65.228","0.001","927.86","0.09","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C23 H30 N2 -","- C23 H30 N2 -","- C46 H60 N4 -","2","1","","Chen Zhang; Sandip Murarka; Daniel Seidel","Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process","Journal of Organic Chemistry","2009","74","","419","422","10.1021/jo802325x","","","0.71073","MoKα","","0.0606","0.0536","","","0.1263","0.1308","","","","","","1.003","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024250","17.9781","0.0014","15.641","0.0012","5.618","0.0004","90","","90","","90","","1579.8","0.2","100","2","100","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Chen Zhang; Sandip Murarka; Daniel Seidel","Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process","Journal of Organic Chemistry","2009","74","","419","422","10.1021/jo802325x","","","0.71073","MoKα","","0.0744","0.0575","","","0.1211","0.129","","","","","","1.003","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024251","10.7489","0.0008","5.085","0.0004","15.8645","0.0012","90","","103.529","0.002","90","","843.06","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 -","- C23 H22 N2 -","- C46 H44 N4 -","2","1","","Chen Zhang; Sandip Murarka; Daniel Seidel","Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process","Journal of Organic Chemistry","2009","74","","419","422","10.1021/jo802325x","","","0.71073","MoKα","","0.0673","0.0565","","","0.1227","0.1292","","","","","","1.001","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024252","12.0629","0.0015","12.869","0.0016","10.6925","0.0013","90","","91.566","0.002","90","","1659.3","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N3 -","- C21 H23 N3 -","- C84 H92 N12 -","4","1","","Chen Zhang; Sandip Murarka; Daniel Seidel","Facile Formation of Cyclic Aminals through a Brønsted Acid-Promoted Redox Process","Journal of Organic Chemistry","2009","74","","419","422","10.1021/jo802325x","","","0.71073","MoKα","","0.0933","0.0552","","","0.1121","0.1279","","","","","","1.005","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024253","7.3457","0.0005","23.4327","0.0016","29.416","0.002","90","","90","","90","","5063.4","0.6","193","2","193","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C30 H18 S6 -","- C30 H18 S6 -","- C240 H144 S48 -","8","2","","Angelica L. P. Cornacchio; Jacquelyn T. Price; Michael C. Jennings; Robert McDonald; Viktor N. Staroverov; Nathan D. Jones","Meta-Substituted Thienyl Benzenes: A Comparative Synthetic, Structural and Computational Study","Journal of Organic Chemistry","2009","74","","530","544","10.1021/jo801771d","","","0.71073","MoKα","","0.1214","0.0609","","","0.1189","0.1463","","","","","","1.045","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024254","12.6544","0.0005","12.8296","0.0005","10.1259","0.0005","90","","100.168","0.002","90","","1618.13","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H13 F S2 -","- C20 H13 F S2 -","- C80 H52 F4 S8 -","4","1","","Angelica L. P. Cornacchio; Jacquelyn T. Price; Michael C. Jennings; Robert McDonald; Viktor N. Staroverov; Nathan D. Jones","Meta-Substituted Thienyl Benzenes: A Comparative Synthetic, Structural and Computational Study","Journal of Organic Chemistry","2009","74","","530","544","10.1021/jo801771d","","","0.71073","MoKα","","0.0542","0.0433","","","0.1452","0.1533","","","","","","1.175","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024255","9.7008","0.0007","11.2343","0.0008","16.6045","0.0012","90","","90","","90","","1809.6","0.2","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N4 O4 S -","- C16 H20 N4 O4 S -","- C64 H80 N16 O16 S4 -","4","1","","Debatosh Majumdar; Matthew D. Alexander; James K. Coward","Synthesis of Isopeptide Epoxide Peptidomimetics","Journal of Organic Chemistry","2009","74","","617","627","10.1021/jo801907p","","","0.71073","MoKα","","0.0329","0.0285","","","0.0727","0.0755","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024256","14.2915","0.0006","4.2258","0.0002","16.0431","0.0006","90","","113.905","0.001","90","","885.78","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O6 -","- C19 H21 N O6 -","- C38 H42 N2 O12 -","2","1","","Rahul Bhattacharya; Ananta Kumar Atta; Debanjana Dey; Tanmaya Pathak","Densely Functionalized Chiral Pyrroles from Endocyclic, Exocyclic, and Acyclic Vinyl Sulfone-Modified Carbohydrates","Journal of Organic Chemistry","2009","74","","669","674","10.1021/jo801948m","","","0.71073","MoKα","","0.0493","0.0408","","","0.1065","0.1143","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024257","9.4862","0.0016","8.3879","0.0014","24.325","0.004","90","","90","","90","","1935.6","0.6","103","2","103","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C23 H23 N O5 -","- C23 H23 N O5 -","- C92 H92 N4 O20 -","4","1","","Weimin Lin; Cory R. Theberge; Timothy J. Henderson; Charles K. Zercher; Jerry Jasinski; Ray. J. Butcher","Stereoselective Formation of a Functionalized Dipeptide Isostere by Zinc Carbenoid-Mediated Chain Extension","Journal of Organic Chemistry","2009","74","","645","651","10.1021/jo801993k","","","0.71073","MoKα","","0.0382","0.0346","","","0.0883","0.0906","","","","","","1.043","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024258","25.4815","0.0008","21.1342","0.0008","19.4278","0.0007","90","","111.556","0.003","90","","9730.7","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C106 H104 O27 P6 -","- C106 H104 O27 P6 -","- C424 H416 O108 P24 -","4","0.5","","Cécile Givelet; Bernard Tinant; Luc Van Meervelt; Thierry Buffeteau; Nathalie Marchand-Geneste; Brigitte Bibal","Polyphosphorylated Triphenylenes: Synthesis, Crystal Structure, and Selective Catechol Recognition","Journal of Organic Chemistry","2009","74","","652","659","10.1021/jo802015k","","","1.54178","CuKα","","0.0604","0.049","","","0.118","0.1273","","","","","","1.027","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024259","8.3521","0.0002","15.6627","0.0003","17.7796","0.0004","74.325","0.001","89.989","0.002","77.082","0.001","2178.19","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H18 Br N O6 -","- C22 H18 Br N O6 -","- C88 H72 Br4 N4 O24 -","4","2","","Qiuping Ding; Zhiyong Wang; Jie Wu","Tandem Electrophilic Cyclization-[3+2] Cycloaddition-Rearrangement Reactions of 2-Alkynylbenzaldoxime, DMAD, and Br2","Journal of Organic Chemistry","2009","74","","921","924","10.1021/jo802076k","","","0.71073","MoKα","","0.1009","0.0724","","","0.2266","0.2542","","","","","","1.045","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024260","22.677","0.007","8.009","0.002","22.944","0.007","90","","101.146","0.01","90","","4089","2","173","2","173","2","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C24 H10 F8 Ge -","- C24 H10 F8 Ge -","- C192 H80 F64 Ge8 -","8","1","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.0571","0.0356","","","0.0756","0.082","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024261","10.4531","0.0016","17.842","0.003","7.3749","0.0011","90","","99.108","0.002","90","","1358.1","0.4","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H6 F8 Si -","- C14 H6 F8 Si -","- C56 H24 F32 Si4 -","4","0.5","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.7749","synchrotron","","0.061","0.0449","","","0.1349","0.1551","","","","","","1.1","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024262","8.29","0.003","15.227","0.005","16.829","0.005","90","","104.138","0.005","90","","2059.9","1.1","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H10 F8 Sn -","- C24 H10 F8 Sn -","- C96 H40 F32 Sn4 -","4","1","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.0433","0.0299","","","0.0664","0.0705","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024263","31.114","0.005","15.076","0.002","23.715","0.003","90","","93.728","0.005","90","","11100","3","163","2","163","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 F6 Ge -","- C36 H20 F6 Ge -","- C576 H320 F96 Ge16 -","16","2","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.117","0.0619","","","0.1291","0.1519","","","","","","1.026","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024264","31.107","0.006","15.01","0.003","23.668","0.004","90","","93.746","0.002","90","","11027","3","128","2","128","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H20 F6 Si -","- C36 H20 F6 Si -","- C576 H320 F96 Si16 -","16","2","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.1023","0.0479","","","0.1097","0.1348","","","","","","0.964","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024265","7.5554","0.0012","10.6761","0.0018","15.488","0.003","108.257","0.003","94.493","0.003","107.582","0.003","1110.2","0.3","167","2","167","2","","","","","","","","6","P -1","-P 1","2","","","","- C25.64 H10.64 F6 O P S2 -","- C25.64 H10.64 F6 O P S2 -","- C51.28 H21.28 F12 O2 P2 S4 -","2","1","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.073","0.0425","","","0.0935","0.0985","","","","","","0.866","","","","has coordinates,has disorder","178421","2020-10-21","18:00:00",""
"4024266","28.555","0.005","15.308","0.003","14.505","0.003","90","","97.354","0.003","90","","6288","2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C40 H20 F6 Sn -","- C40 H20 F6 Sn -","- C320 H160 F48 Sn8 -","8","1","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.7749","synchrotron","","0.0577","0.0451","","","0.1367","0.1534","","","","","","1.08","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024267","28.629","0.003","7.9029","0.0009","22.483","0.003","90","","128.944","0.002","90","","3956.3","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H10 F8 Si -","- C24 H10 F8 Si -","- C192 H80 F64 Si8 -","8","1","","Katharine Geramita; Jennifer McBee; T. Don Tilley","2,7-Substituted Hexafluoroheterofluorenes as Potential Building Blocks for Electron Transporting Materials","Journal of Organic Chemistry","2009","74","","820","829","10.1021/jo802171t","","","0.71073","MoKα","","0.0489","0.0361","","","0.0831","0.0884","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024268","12.2526","0.0019","13.692","0.002","16.757","0.003","90","","90","","90","","2811.2","0.8","113","2","113","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C28 H29 Cl2 N3 O4 S -","- C28 H29 Cl2 N3 O4 S -","- C112 H116 Cl8 N12 O16 S4 -","4","1","","Ying Cheng; Yang-Guang Ma; Xiao-Rong Wang; Jun-Ming Mo","An Unprecedented Chemospecific and Stereoselective Tandem Nucleophilic Addition/Cycloaddition Reaction of Nucleophilic Carbenes with Ketenimines","Journal of Organic Chemistry","2009","74","","850","855","10.1021/jo802289s","","","0.7107","MoKα","","0.0313","0.0286","","","0.0602","0.0617","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024269","9.3477","0.0012","10.137","0.0014","16.035","0.002","101.292","0.002","93.471","0.003","112.752","0.004","1358.4","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H31 N3 O4 S -","- C31 H31 N3 O4 S -","- C62 H62 N6 O8 S2 -","2","1","","Ying Cheng; Yang-Guang Ma; Xiao-Rong Wang; Jun-Ming Mo","An Unprecedented Chemospecific and Stereoselective Tandem Nucleophilic Addition/Cycloaddition Reaction of Nucleophilic Carbenes with Ketenimines","Journal of Organic Chemistry","2009","74","","850","855","10.1021/jo802289s","","","0.7107","MoKα","","0.05","0.0392","","","0.0949","0.1003","","","","","","1.065","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024270","10.5847","0.001","11.1324","0.0012","13.8283","0.0015","102.842","0.002","111.425","0.003","97.179","0.001","1440.2","0.3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C33 H35 N3 O4.5 S -","- C33 H35 N3 O4.5 S -","- C66 H70 N6 O9 S2 -","2","1","","Ying Cheng; Yang-Guang Ma; Xiao-Rong Wang; Jun-Ming Mo","An Unprecedented Chemospecific and Stereoselective Tandem Nucleophilic Addition/Cycloaddition Reaction of Nucleophilic Carbenes with Ketenimines","Journal of Organic Chemistry","2009","74","","850","855","10.1021/jo802289s","","","0.7107","MoKα","","0.0497","0.0423","","","0.1033","0.1084","","","","","","1.054","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024271","8.6509","0.0009","23.526","0.002","9.9925","0.001","90","","94.525","0.002","90","","2027.4","0.3","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H24 O -","- C27 H24 O -","- C108 H96 O4 -","4","1","","Wei Li; Min Shi","A Catalytic Method for the Preparation of Polysubstituted Cyclopentanes: [3+2] Cycloaddition of Vinylidenecyclopropanes with Activated Olefins Catalyzed by Triflic Imide","Journal of Organic Chemistry","2009","74","","856","860","10.1021/jo802294s","","","0.71073","MoKα","","0.1098","0.0641","","","0.1445","0.1645","","","","","","0.959","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024272","10.37","0.003","11.442","0.003","12.838","0.003","63.725","0.005","69.34","0.005","72.309","0.005","1258.1","0.6","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H28 O -","- C33 H28 O -","- C66 H56 O2 -","2","1","","Wei Li; Min Shi","A Catalytic Method for the Preparation of Polysubstituted Cyclopentanes: [3+2] Cycloaddition of Vinylidenecyclopropanes with Activated Olefins Catalyzed by Triflic Imide","Journal of Organic Chemistry","2009","74","","856","860","10.1021/jo802294s","","","0.71073","MoKα","","0.1592","0.0822","","","0.186","0.2258","","","","","","0.877","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024273","7.5888","0.0008","15.6047","0.0017","17.3915","0.0019","90","","90","","90","","2059.5","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H28 O -","- C25 H28 O -","- C100 H112 O4 -","4","1","","Wei Li; Min Shi","A Catalytic Method for the Preparation of Polysubstituted Cyclopentanes: [3+2] Cycloaddition of Vinylidenecyclopropanes with Activated Olefins Catalyzed by Triflic Imide","Journal of Organic Chemistry","2009","74","","856","860","10.1021/jo802294s","","","0.71073","MoKα","","0.0756","0.0523","","","0.1155","0.1254","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024274","11.5475","0.0011","14.4793","0.0014","13.9396","0.0013","90","","108.842","0.002","90","","2205.8","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H32 O -","- C27 H32 O -","- C108 H128 O4 -","4","1","","Wei Li; Min Shi","A Catalytic Method for the Preparation of Polysubstituted Cyclopentanes: [3+2] Cycloaddition of Vinylidenecyclopropanes with Activated Olefins Catalyzed by Triflic Imide","Journal of Organic Chemistry","2009","74","","856","860","10.1021/jo802294s","","","0.71073","MoKα","","0.0861","0.0561","","","0.1508","0.1675","","","","","","0.917","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024275","7.267","0.0006","11.5484","0.001","19.1557","0.0017","90","","93.152","0.0012","90","","1605.2","0.2","193","2","193","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H42 N2 O4 S Si2 -","- C30 H42 N2 O4 S Si2 -","- C60 H84 N4 O8 S2 Si4 -","2","1","","Jianbiao Peng; Derrick L. J. Clive","Asymmetric Synthesis of the ABC-Ring System of the Antitumor Antibiotic MPC1001","Journal of Organic Chemistry","2009","74","","513","519","10.1021/jo802344t","","","0.71073","MoKα","","0.0355","0.0328","","","0.0805","0.0823","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024276","4.398","0.0002","12.208","0.0006","8.659","0.0005","90","","102.87","0.004","90","","453.23","0.04","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C24 H16 O8 -","2","0.5","","Hirohiko Houjou; Takatoshi Motoyama; Seisaku Banno; Isao Yoshikawa; Koji Araki","Experimental and Theoretical Studies on Constitutional Isomers of 2,6-Dihydroxynaphthalene Carbaldehydes. Effects of Resonance-Assisted Hydrogen Bonding on the Electronic Absorption Spectra","Journal of Organic Chemistry","2009","74","","520","529","10.1021/jo802345f","","","1.54184","CuKα","","0.0631","0.0619","","","0.1798","0.181","","","","","","1.135","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024277","4.884","0.0005","5.964","0.0007","15.37","0.0017","90","","92.857","0.008","90","","447.14","0.09","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H8 O4 -","- C12 H8 O4 -","- C24 H16 O8 -","2","0.5","","Hirohiko Houjou; Takatoshi Motoyama; Seisaku Banno; Isao Yoshikawa; Koji Araki","Experimental and Theoretical Studies on Constitutional Isomers of 2,6-Dihydroxynaphthalene Carbaldehydes. Effects of Resonance-Assisted Hydrogen Bonding on the Electronic Absorption Spectra","Journal of Organic Chemistry","2009","74","","520","529","10.1021/jo802345f","","","1.54184","CuKα","","0.1191","0.1059","","","0.2915","0.3111","","","","","","1.116","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024278","5.774","0.001","9.458","0.002","24.34","0.005","90","","90","","90","","1329.2","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N O3 -","- C12 H19 N O3 -","- C48 H76 N4 O12 -","4","1","","Alexander G. Zhdanko; Valentine G. Nenajdenko","Nonracemizable Isocyanoacetates for Multicomponent Reactions","Journal of Organic Chemistry","2009","74","","884","887","10.1021/jo802420c","","","0.71073","MoKα","","0.0714","0.0362","","","0.1013","0.1091","","","","","","0.947","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024279","12.314","0.004","15.29","0.004","18.582","0.006","90","","103.989","0.013","90","","3395","1.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C42 H40 Cl2 Rh2 -","- C42 H40 Cl2 Rh2 -","- C168 H160 Cl8 Rh8 -","4","2","","Ryo Shintani; Yoshitaka Ichikawa; Keishi Takatsu; Fu-Xue Chen; Tamio Hayashi","Tuning the Chiral Environment ofC2-Symmetric Diene Ligands: Development of 3,7-Disubstituted Bicyclo[3.3.1]nona-2,6-dienes","Journal of Organic Chemistry","2009","74","","869","873","10.1021/jo802437h","","","0.71075","MoKα","","","0.0228","","","","0.0285","","","","","","1.014","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024280","9.3028","0.0002","11.6999","0.0003","21.374","0.0004","90","","90","","90","","2326.39","0.09","120","2","120","2","","","","","","","Claire Kay","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H37 N O7 S -","- C23 H37 N O7 S -","- C92 H148 N4 O28 S4 -","4","1","","Claire L. Morris; Yulai Hu; Geoff D. Head; Lynda J. Brown; William G. Whittingham; Richard C. D. Brown","Oxidative Cyclization Reactions of Trienes and Dienynes: Total Synthesis of Membrarollin","Journal of Organic Chemistry","2009","74","","981","988","10.1021/jo802012a","","","0.71073","MoKα","","0.0663","0.0458","","","0.0917","0.1007","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024281","6.226","0.002","16.249","0.005","15.613","0.005","90","","94.785","0.007","90","","1574.2","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 O3 P -","- C17 H23 O3 P -","- C68 H92 O12 P4 -","4","1","","Fei Yu; Xiongdong Lian; Jinbo Zhao; Yihua Yu; Shengming Ma","CuX2-Mediated Halolactonization Reaction of Monoesters of 1,2-Allenyl Phosphonic Acids and Their Suzuki Cross-Coupling Reaction","Journal of Organic Chemistry","2009","74","","1130","1134","10.1021/jo802051r","","","0.71073","MoKα","","0.1223","0.0657","","","0.1421","0.1621","","","","","","0.924","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024282","11.6078","0.0013","12.1581","0.0014","15.6658","0.0018","90","","108.091","0.002","90","","2101.6","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H18 O6 -","- C29 H18 O6 -","- C116 H72 O24 -","4","1","","Lu Wen; Xiaoling Cai; Fang Xu; Zhigang She; Wing Lai Chan; L. L. P. Vrijmoed; E. B. G. Jones; Yongcheng Lin","Three Metabolites from the Mangrove Endophytic FungusSporothrixsp. (#4335) from the South China Sea","Journal of Organic Chemistry","2009","74","","1093","1098","10.1021/jo802096q","","","0.71073","MoKα","","0.0571","0.0373","","","0.0891","0.1034","","","","","","1.026","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024283","8.6548","0.0001","18.4528","0.0001","13.3226","0.0001","90","","95.396","0.001","90","","2118.26","0.03","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C29 H18 O7 -","- C29 H18 O7 -","- C116 H72 O28 -","4","1","","Lu Wen; Xiaoling Cai; Fang Xu; Zhigang She; Wing Lai Chan; L. L. P. Vrijmoed; E. B. G. Jones; Yongcheng Lin","Three Metabolites from the Mangrove Endophytic FungusSporothrixsp. (#4335) from the South China Sea","Journal of Organic Chemistry","2009","74","","1093","1098","10.1021/jo802096q","","","1.54178","CuKα","","0.0484","0.0461","","","0.1291","0.1334","","","","","","1.111","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024284","22.368","0.0007","22.368","0.0007","23.151","0.0004","90","","90","","90","","11583.1","0.6","293","","293","","","","","","","","see text","4","I 4","I 4","79","","","","- C72 H128 O62 S4 -","- C72 H80 O62 S4 -","- C288 H320 O248 S16 -","4","0.5","","Lukáš Kumprecht; Miloš Buděsínský; Jiří Vondrášek; Jiří Vymětal; Jiří Čěrný; Ivana Císařová; Jiří Brynda; Vladimír Herzig; Petr Koutník; Jiří Závada; Tomáš Kraus","Rigid Duplex α-Cyclodextrin Reversibly Connected With Disulfide Bonds. Synthesis and Inclusion Complexes","Journal of Organic Chemistry","2009","74","","1082","1092","10.1021/jo802139s","","x-ray","0.71073","MoKα","","0.161","0.1343","","","0.343","0.3687","","","","","","2.784","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024285","12.3707","0.0009","11.5748","0.0009","25.612","0.002","90","","90","","90","","3667.3","0.5","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H23 N O5 -","- C19 H23 N O5 -","- C152 H184 N8 O40 -","8","1","","Nathalie Chopin; Hélène Gérard; Isabelle Chataigner; Serge R. Piettre","Benzofurans as Efficient Dienophiles in Normal Electron Demand [4 + 2] Cycloadditions","Journal of Organic Chemistry","2009","74","","1237","1246","10.1021/jo802205d","","","0.71073","MoKα","","0.0593","0.0516","","","0.1492","0.1569","","","","","","1.058","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024286","5.7913","0.0002","15.093","0.0008","17.9076","0.0011","90","","90","","90","","1565.27","0.14","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C68 H96 O16 -","4","1","","Arun K. Ghosh; Kai Xi","Total Synthesis of (-)-Platensimycin, a Novel Antibacterial Agent","Journal of Organic Chemistry","2009","74","","1163","1170","10.1021/jo802261f","","","0.71073","MoKα","","0.0528","0.0365","","","0.0823","0.0895","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024287","6.9518","0.0011","13.891","0.002","19.244","0.003","90","","90","","90","","1858.3","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0567","0.0332","","","0.0737","0.0849","","","","","","1.043","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024288","6.9801","0.0008","14.7897","0.0017","18.475","0.002","90","","90","","90","","1907.3","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 N2 O4 -","- C20 H24 N2 O4 -","- C80 H96 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0941","0.0479","","","0.1006","0.12","","","","","","1.021","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024289","7.2892","0.0011","12.2674","0.0019","22.715","0.004","90","","90","","90","","2031.1","0.5","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0714","0.0388","","","0.0855","0.1014","","","","","","1.044","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024290","7.2706","0.0002","14.9994","0.0003","18.4401","0.0004","90","","90","","90","","2010.98","0.08","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Cl N2 O4 -","- C20 H23 Cl N2 O4 -","- C80 H92 Cl4 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0505","0.036","","","0.0727","0.079","","","","","","1.057","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024291","6.9543","0.0008","14.3884","0.0016","19.721","0.002","90","","90","","90","","1973.3","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H26 N2 O4 -","- C21 H26 N2 O4 -","- C84 H104 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0542","0.0392","","","0.0864","0.094","","","","","","1.052","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024292","6.9085","0.0009","10.4624","0.0014","23.366","0.003","90","","90","","90","","1688.9","0.4","294","2","294","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H26 N2 O4 -","- C17 H26 N2 O4 -","- C68 H104 N8 O16 -","4","1","","Yan Huang; Qiong Li; Tian-Liang Liu; Peng-Fei Xu","Diastereoselective Synthesis of β-Substituted-α,γ-Diaminobutyric Acids and Pyrrolidines Containing Multichiral Centers","Journal of Organic Chemistry","2009","74","","1252","1258","10.1021/jo8023076","","","0.71073","MoKα","","0.0546","0.0408","","","0.0946","0.1021","","","","","","1.032","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024293","7.4134","0.0014","20.429","0.004","9.8491","0.0019","90","","104.548","0.004","90","","1443.8","0.5","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H18 O6 -","- C15 H18 O6 -","- C60 H72 O24 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.048","0.0414","","","0.0756","0.0765","","","","","","2.156","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024294","11.5072","0.0007","9.0242","0.0006","15.25","0.001","90","","107.625","0.001","90","","1509.27","0.17","180","1","180","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 O6 -","- C16 H20 O6 -","- C64 H80 O24 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0437","0.0389","","","0.0991","0.1019","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024295","10.6791","0.0007","22.3042","0.0015","13.7749","0.0009","90","","91.13","0.001","90","","3280.4","0.4","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C136 H176 O48 -","8","2","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0689","0.0583","","","0.1208","0.1222","","","","","","2.241","","","","has coordinates","178421","2020-10-21","18:00:00",""
"4024296","22.5294","0.0012","13.8214","0.0008","10.741","0.0006","90","","90","","90","","3344.6","0.3","297","1","297","1","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C17 H22 O6 -","- C17 H22 O6 -","- C136 H176 O48 -","8","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0662","0.0552","","","0.1219","0.1239","","","","","","1.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024297","8.2119","0.0004","9.6137","0.0004","38.6588","0.0018","90","","90","","90","","3052","0.2","180","1","180","1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C16 H20 O5 -","- C16 H20 O5 -","- C128 H160 O40 -","8","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0895","0.0783","","","0.1261","0.1282","","","","","","1.96","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024298","21.6856","0.0012","39.832","0.002","6.9889","0.0004","90","","90","","90","","6036.8","0.6","180","2","180","2","","","","","","","","3","F d d 2","F 2 -2d","43","","","","- C17 H22 O4 -","- C17 H22 O4 -","- C272 H352 O64 -","16","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0403","0.0372","","","0.0975","0.111","","","","","","1.458","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024299","6.8109","0.0017","20.468","0.005","10.125","0.003","90","","98.917","0.005","90","","1394.4","0.6","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 F O4 -","- C15 H17 F O4 -","- C60 H68 F4 O16 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0549","0.0412","","","0.09","0.0958","","","","","","1.188","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024300","9.6108","0.0006","9.9743","0.0006","33.578","0.002","90","","90","","90","","3218.8","0.3","180","2","180","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C16 H20 O4 S -","- C16 H20 O4 S -","- C128 H160 O32 S8 -","8","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0554","0.0458","","","0.0996","0.1053","","","","","","1.178","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024301","15.3157","0.0007","16.1213","0.0011","17.3561","0.0008","108.696","0.003","112.449","0.003","101.98","0.003","3474.9","0.3","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C160 H208 O32 -","8","4","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.1758","0.0736","","","0.1779","0.2364","","","","","","1.036","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024302","15.5125","0.0006","7.6198","0.0002","14.4039","0.0007","90","","98.556","0.0019","90","","1683.62","0.11","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H21 F O4 -","- C18 H21 F O4 -","- C72 H84 F4 O16 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.1345","0.0534","","","0.1096","0.142","","","","","","1.005","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024303","6.0581","0.0005","9.1995","0.001","15.909","0.0017","94.029","0.005","100.953","0.006","100.439","0.006","851.03","0.15","150","1","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H22 O5 -","- C19 H22 O5 -","- C38 H44 O10 -","2","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.1108","0.0851","","","0.2371","0.2538","","","","","","1.129","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024304","14.688","0.003","15.063","0.003","29.361","0.006","75.32","0.03","89.96","0.03","89.5","0.03","6284","2","150","1","150","1","","","","","","","","3","P -1","-P 1","2","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C288 H352 O64 -","16","8","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0885","0.0533","","","0.1212","0.1403","","","","","","1.03","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024305","8.017","0.003","12.411","0.005","18.403","0.007","90","","97.923","0.007","90","","1813.6","1.1","180","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 O6 -","- C20 H26 O6 -","- C80 H104 O24 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0806","0.0556","","","0.1048","0.1257","","","","","","1.396","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024306","13.3229","0.0007","9.9293","0.0005","16.8309","0.0009","90","","110.72","0.001","90","","2082.5","0.19","180","1","180","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H28 O6 -","- C23 H28 O6 -","- C92 H112 O24 -","4","1","","Eric Fillion; Ashraf Wilsily; Dan Fishlock","Probing Persistent Intramolecular C-H...X (X = O, S, Br, Cl, and F) Bonding in Solution Using Benzyl Meldrum's Acid Derivatives","Journal of Organic Chemistry","2009","74","","1259","1267","10.1021/jo802311w","","","0.71073","MoKα","","0.0771","0.0489","","","0.0743","0.0774","","","","","","1.356","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024307","8.8404","0.0014","9.4642","0.0016","13.031","0.002","94.678","0.007","103.672","0.008","92.025","0.008","1054.1","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H22 Cl N3 O3 -","- C24 H22 Cl N3 O3 -","- C48 H44 Cl2 N6 O6 -","2","1","","Matt Nodwell; Alban Pereira; Jenna L. Riffell; Carla Zimmerman; Brian O. Patrick; Michel Roberge; Raymond J. Andersen","Synthetic Approaches to the Microtubule-Stabilizing Sponge Alkaloid Ceratamine A and Desbromo Analogues","Journal of Organic Chemistry","2009","74","","995","1006","10.1021/jo802322s","","","0.71073","MoKα","","0.0433","0.0347","","","0.0865","0.0918","","","","","","1.039","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024308","9.6611","0.0019","18.333","0.004","12.119","0.002","90","","99.36","0.03","90","","2117.8","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C22 H19 Br N O3 S -","- C22 H19 Br N O3 S -","- C88 H76 Br4 N4 O12 S4 -","4","1","","Zhan-Guo Chen; Jun-Fa Wei; Run-Tao Li; Xian-Ying Shi; Peng-Fei Zhao","Copper Powder-Catalyzed Regio- and Stereoselective Aminobromination of α,β-Unsaturated Ketones with TsNH2 and NBS as Nitrogen and Halogen Sources","Journal of Organic Chemistry","2009","74","","1371","1373","10.1021/jo8023768","","","0.71073","MoKα","","0.0962","0.0631","","","0.1885","0.2146","","","","","","0.997","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024309","9.5886","0.0014","15.791","0.002","10.2752","0.0015","90","","94.358","0.003","90","","1551.3","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 F O4 -","- C18 H15 F O4 -","- C72 H60 F4 O16 -","4","1","","Haifeng Cui; Peng Li; Zhuo Chai; Changwu Zheng; Gang Zhao; Shizheng Zhu","Facile Stereoselective Synthesis of Fluorinated Flavanone Derivatives via a One-Pot Tandem Reaction","Journal of Organic Chemistry","2009","74","","1400","1402","10.1021/jo8023818","","","0.71073","MoKα","","0.1017","0.06","","","0.1603","0.1789","","","","","","0.904","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024310","14.2858","0.0016","9.2432","0.0011","19.143","0.002","90","","92.451","0.002","90","","2525.4","0.5","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","compound 1a","Syn-1,8-bis(2-methylnaphtyl)anthraquinone","","- C36 H24 O2 -","- C36 H24 O2 -","- C144 H96 O8 -","4","1","","Lodovico Lunazzi; Michele Mancinelli; Andrea Mazzanti","Structure, Stereodynamics and Absolute Configuration of the Atropisomers of Hindered Arylanthraquinones","Journal of Organic Chemistry","2009","74","","1345","1348","10.1021/jo802383s","","","0.71073","MoKα","","0.0679","0.0471","","","0.1339","0.1426","","","","","","1.567","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024311","9.878","0.002","13.669","0.003","24.835","0.004","90","","90","","90","","3353.3","1.1","294","2","294","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H50 N4 O3 -","- C36 H50 N4 O3 -","- C144 H200 N16 O12 -","4","1","","Mercedes Amat; Arantxa Gómez-Esqué; Carmen Escolano; María M. M. Santos; Elies Molins; Joan Bosch","Enantioselective Formal Synthesis of (+)-Dihydrocorynantheine and (-)-Dihydrocorynantheol","Journal of Organic Chemistry","2009","74","","1205","1211","10.1021/jo802387c","","x-ray","0.71073","MoKα","","0.1047","0.0537","","","0.114","0.1304","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024312","8.351","0.004","10.977","0.002","12.4447","0.0015","63.902","0.001","77.89","0.02","67.88","0.04","947.7","0.6","294","2","294","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C21 H28 N2 O3 -","- C21 H28 N2 O3 -","- C42 H56 N4 O6 -","2","2","","Mercedes Amat; Arantxa Gómez-Esqué; Carmen Escolano; María M. M. Santos; Elies Molins; Joan Bosch","Enantioselective Formal Synthesis of (+)-Dihydrocorynantheine and (-)-Dihydrocorynantheol","Journal of Organic Chemistry","2009","74","","1205","1211","10.1021/jo802387c","","x-ray","0.71073","MoKα","","0.0445","0.039","","","0.1039","0.1067","","","","","","1.095","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024313","7.6917","0.0011","6.6864","0.001","14.498","0.002","90","","90.221","0.002","90","","745.65","0.19","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 N O3 -","- C8 H7 N O3 -","- C32 H28 N4 O12 -","4","1","","Ai Ito; Hideaki Muratake; Koichi Shudo","On the Structure of 5-Nitrosotropolone","Journal of Organic Chemistry","2009","74","","1275","1281","10.1021/jo802400w","","","0.71073","MoKα","","0.0633","0.0516","","","0.13","0.1391","","","","","","1.072","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024314","12.4729","0.0013","6.9341","0.0007","14.2423","0.0015","90","","108.414","0.002","90","","1168.7","0.2","90","","90","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H15 N O5 -","- C12 H15 N O5 -","- C48 H60 N4 O20 -","4","1","","Ai Ito; Hideaki Muratake; Koichi Shudo","On the Structure of 5-Nitrosotropolone","Journal of Organic Chemistry","2009","74","","1275","1281","10.1021/jo802400w","","","0.71073","MoKα","","0.0475","0.0381","","","0.1013","0.1172","","","","","","1.071","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024315","7.9368","0.0009","14.6814","0.0018","14.9334","0.0017","90","","90","","90","","1740.1","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H28 O4 -","- C17 H28 O4 -","- C68 H112 O16 -","4","1","","Guozhi Li; Xiaoxia Yang; Hongbin Zhai","Total Synthesis of (-)-5,6-Dihydrocineromycin B","Journal of Organic Chemistry","2009","74","","1356","1359","10.1021/jo802503x","","","0.71073","MoKα","","0.0843","0.0408","","","0.0822","0.096","","","","","","0.978","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024316","4.8141","0.0006","26.756","0.003","11.7103","0.0013","90","","100.596","0.005","90","","1482.6","0.3","190","2","190","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C15 H17 N O2 S2 -","- C15 H17 N O2 S2 -","- C60 H68 N4 O8 S8 -","4","2","","Antonio Osorio-Lozada; Horacio F. Olivo","Diastereoselective Preparation of Substituted δ-Valerolactones. Synthesis of (3R,4S)- and (3R,4R)-Simplactones","Journal of Organic Chemistry","2009","74","","1360","1363","10.1021/jo8025548","","","0.71073","MoKα","","0.0886","0.0497","","","0.0789","0.0913","","","","","","1.035","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024317","11.224","0.003","13.322","0.003","24.853","0.006","92.41","0.007","94.883","0.006","90.353","0.007","3699","1.6","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C65 H88 F12 N6 O14 P2 -","- C65 H82 F12 N6 O14 P2 -","- C130 H164 F24 N12 O28 P4 -","2","1","","Kelong Zhu; Shijun Li; Feng Wang; Feihe Huang","Anion-Controlled Ion-Pair Recognition of Paraquat by a Bis(m-phenylene)-32-crown-10 Derivative Heteroditopic Host","Journal of Organic Chemistry","2009","74","","1322","1328","10.1021/jo802683d","","","0.71073","MoKα","","0.3018","0.0968","","","0.2403","0.3331","","","","","","0.756","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024318","11.1724","0.0008","21.4002","0.0015","24.7859","0.0017","90","","96.294","0.002","90","","5890.4","0.7","293","2","293","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C56 H76 Cl2 N6 O15 -","- C56 H75 Cl2 N6 O15 -","- C224 H300 Cl8 N24 O60 -","4","1","","Kelong Zhu; Shijun Li; Feng Wang; Feihe Huang","Anion-Controlled Ion-Pair Recognition of Paraquat by a Bis(m-phenylene)-32-crown-10 Derivative Heteroditopic Host","Journal of Organic Chemistry","2009","74","","1322","1328","10.1021/jo802683d","","","0.71073","MoKα","","0.118","0.0651","","","0.1698","0.227","","","","","","0.911","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024319","29.399","0.006","11.476","0.002","20.644","0.004","90","","109.29","0.03","90","","6574","3","100","","293","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H70 F6 N4 O18 -","- C62 H70 F6 N4 O18 -","- C248 H280 F24 N16 O72 -","4","0.5","","Kelong Zhu; Shijun Li; Feng Wang; Feihe Huang","Anion-Controlled Ion-Pair Recognition of Paraquat by a Bis(m-phenylene)-32-crown-10 Derivative Heteroditopic Host","Journal of Organic Chemistry","2009","74","","1322","1328","10.1021/jo802683d","","","0.71073","MoKα","","0.2186","0.1612","","0.3031","0.2573","0.2573","","","","","","0.981","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024320","10.891","0.002","11.815","0.002","14.87","0.002","90","","106.25","0.002","90","","1836.9","0.4","157.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H26 N2 O3 -","- C22 H26 N2 O3 -","- C88 H104 N8 O12 -","4","1","","Alfred L. Bowie; Dirk Trauner","Total Synthesis of (\±)-Rhazinal Using Novel Palladium-Catalyzed Cyclizations","Journal of Organic Chemistry","2009","74","","1581","1586","10.1021/jo801791j","","","0.7107","MoKα","","0.0495","0.039","","0.0599","","0.0569","","","","","","1.898","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024321","11.3544","0.0012","10.2479","0.0011","14.9114","0.0016","90","","110.991","0.003","90","","1619.9","0.3","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 O5 -","- C20 H16 O5 -","- C80 H64 O20 -","4","1","","Saroj R. De; Sujit K. Ghorai; Dipakranjan Mal","Synthesis and Rearrangement of Quinone-Embedded Epoxycyclopentenones: A New Avenue to Pyranonaphthoquinones and Indenopyranones","Journal of Organic Chemistry","2009","74","","1598","1604","10.1021/jo801961w","","","0.71073","MoKα","","0.0739","0.0451","","","0.1141","0.1345","","","","","","1.015","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024322","31.07","0.013","6.12","0.002","26.375","0.012","90","","109.59","0.016","90","","4725","3","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C27 H20 F3 O P Se -","- C27 H20 F3 O P Se -","- C216 H160 F24 O8 P8 Se8 -","8","1","","Shin-ichi Kawaguchi; Takamune Shirai; Takashi Ohe; Akihiro Nomoto; Motohiro Sonoda; Akiya Ogawa","Highly Regioselective Simultaneous Introduction of Phosphino and Seleno Groups into Unsaturated Bonds by the Novel Combination of (Ph2P)2 and (PhSe)2 upon Photoirradiation","Journal of Organic Chemistry","2009","74","","1751","1754","10.1021/jo8020067","","","0.71075","MoKα","","","0.0889","","","","0.1006","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024323","19.493","0.007","5.7226","0.0016","21.742","0.01","90","","92.909","0.018","90","","2422.3","1.5","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H29 O P Se -","- C27 H29 O P Se -","- C108 H116 O4 P4 Se4 -","4","1","","Shin-ichi Kawaguchi; Takamune Shirai; Takashi Ohe; Akihiro Nomoto; Motohiro Sonoda; Akiya Ogawa","Highly Regioselective Simultaneous Introduction of Phosphino and Seleno Groups into Unsaturated Bonds by the Novel Combination of (Ph2P)2 and (PhSe)2 upon Photoirradiation","Journal of Organic Chemistry","2009","74","","1751","1754","10.1021/jo8020067","","","0.71075","MoKα","","","0.0741","","","","0.0812","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024324","19.973","0.006","12.492","0.003","29.095","0.008","90","","99.179","0.003","90","","7166","3","90","","90","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","carbonyl(1,1,1, 3,3,3-hexafluoropropan-2-olato-kO)bis(triphenylphosphane)rhodium(I)","","- C40 H31 F6 O2 P2 Rh -","- C40 H31 F6 O2 P2 Rh -","- C320 H248 F48 O16 P16 Rh8 -","8","2","","Akio Saito; Shoko Oda; Haruhiko Fukaya; Yuji Hanzawa","Rhodium(I)-Catalyzed Synthesis of Indoles: Amino-Claisen Rearrangement of N-Propargylanilines","Journal of Organic Chemistry","2009","74","","1517","1524","10.1021/jo8022523","","","0.71073","MoKα","","0.0435","0.0327","","","0.0747","0.0798","","","","","","1.033","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024325","28.0388","0.0009","28.0388","0.0009","28.6416","0.0012","90","","90","","120","","19500.5","1.2","100","2","100","2","","","","","","","","4","R -3 :H","-R 3","148","","","","- C20 H31 N5 O3 -","- C20 H31 N5 O3 -","- C720 H1116 N180 O108 -","36","2","","Paweł Dydio; Tomasz Zieliński; Janusz Jurczak","Bishydrazide Derivatives of Isoindoline as Simple Anion Receptors","Journal of Organic Chemistry","2009","74","","1525","1530","10.1021/jo802288u","","","0.71073","MoKα","","0.0969","0.0487","","","0.1467","0.1694","","","","","","1.04","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024326","11.9318","0.0007","26.3198","0.0016","13.4817","0.0008","90","","99.839","0.005","90","","4171.6","0.4","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C45 H58 N6 O4 -","- C45 H58 N6 O4 -","- C180 H232 N24 O16 -","4","1","","Paweł Dydio; Tomasz Zieliński; Janusz Jurczak","Bishydrazide Derivatives of Isoindoline as Simple Anion Receptors","Journal of Organic Chemistry","2009","74","","1525","1530","10.1021/jo802288u","","","0.71073","MoKα","","0.0715","0.0326","","","0.063","0.0696","","","","","","0.852","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024327","8.9881","0.0007","13.7561","0.001","14.6616","0.0011","90","","90","","90","","1812.8","0.2","93.1","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","methyl phomopsenonate","","","- C21 H30 O3 -","- C21 H30 O3 -","- C84 H120 O12 -","4","1","","Tomonobu Toyomasu; Akane Kaneko; Tetsuo Tokiwano; Yuya Kanno; Yuri Kanno; Rie Niida; Shigeyoshi Miura; Taiki Nishioka; Chiho Ikeda; Wataru Mitsuhashi; Tohru Dairi; Tomikazu Kawano; Hideaki Oikawa; Nobuo Kato; Takeshi Sassa","Biosynthetic Gene-Based Secondary Metabolite Screening: A New Diterpene, Methyl Phomopsenonate, from the FungusPhomopsis amygdali","Journal of Organic Chemistry","2009","74","","1541","1548","10.1021/jo802319e","","","1.54187","CuKα","","","0.0245","","","","0.028","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024328","7.357","0.0011","12.3496","0.0018","9.3845","0.0014","90","","110.454","0.002","90","","798.9","0.2","373","2","373","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H7 N3 O2 -","- C8 H7 N3 O2 -","- C32 H28 N12 O8 -","4","1","","D. Scott Bohle; Inna Perepichka","A New Synthetic Route to 3-Oxo-4-amino-1,2,3-oxadiazole from the Diazeniumdiolation of Benzyl Cyanide: Stable Sydnone Iminium N-Oxides","Journal of Organic Chemistry","2009","74","","1621","1626","10.1021/jo802343k","","","0.71073","MoKα","","0.0414","0.0364","","","0.1","0.1055","","","","","","1.011","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024329","9.708","0.0004","8.0824","0.0003","10.4785","0.0004","90","","115.463","0.002","90","","742.32","0.05","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H20 N2 O7 -","- C13 H20 N2 O7 -","- C26 H40 N4 O14 -","2","1","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0387","0.0358","","","0.1128","0.1144","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024330","6.6368","0.0003","9.9471","0.0005","19.9623","0.0011","90","","90","","90","","1317.85","0.11","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 N2 O6 -","- C13 H18 N2 O6 -","- C52 H72 N8 O24 -","4","1","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0336","0.0304","","","0.0812","0.0824","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024331","11.2038","0.0009","13.1226","0.0009","16.2129","0.0013","90","","103.267","0.003","90","","2320.1","0.3","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H28 N2 O8 S -","- C22 H28 N2 O8 S -","- C88 H112 N8 O32 S4 -","4","2","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0427","0.0352","","","0.0821","0.0848","","","","","","1.071","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024332","7.0568","0.0002","24.1906","0.0008","10.8673","0.0004","90","","101.291","0.002","90","","1819.23","0.1","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O6 -","- C20 H24 N2 O6 -","- C80 H96 N8 O24 -","4","2","","Khalil I. Shaikh; Surender Kumar; Lene Lundhus; Andrew D. Bond; Pawan K. Sharma; Poul Nielsen","Synthesis of Bicyclic 2'-Deoxynucleosides with α-l-ribo- and β-d-xylo-Configurations and Restricted S- and N-Type Conformations","Journal of Organic Chemistry","2009","74","","1557","1566","10.1021/jo8023472","","","0.71073","MoKα","","0.0305","0.0289","","","0.0766","0.0773","","","","","","1.044","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024333","9.8651","0.0012","11.3312","0.0013","24.133","0.003","90","","90","","90","","2697.6","0.6","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl [2-methyl 5-acetamido-4-morpholin-4-yl-7,8,9- tri-O-acetyl-3,5-dideoxy-D-glycerol-alfa-D-galacto-non-2- ulopyranosid]onate","","- C23 H36 N2 O12 -","- C23 H36 N2 O12 -","- C92 H144 N8 O48 -","4","1","","Deju Ye; Wenfeng Liu; Dengyou Zhang; Enguang Feng; Hualiang Jiang; Hong Liu","Efficient Dehydrative Sialylation of C-4-Aminated Sialyl-Hemiketal Donors with Ph2SO/Tf2O","Journal of Organic Chemistry","2009","74","","1733","1735","10.1021/jo802396a","","","0.71073","MoKα","","0.0684","0.0561","","","0.1382","0.1447","","","","","","0.995","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024334","7.157","0.003","10.618","0.004","20.531","0.008","90","","90","","90","","1560.1","1","293.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H24 N O3 -","- C16 H24 N O3 -","- C64 H96 N4 O12 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0416","","","","0.0505","","","","","","1.433","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024335","7.2075","0.0008","10.4013","0.0012","12.3538","0.0014","90","","98.287","0.002","90","","916.46","0.18","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H29 N O3 -","- C19 H29 N O3 -","- C38 H58 N2 O6 -","2","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.71073","MoKα","","0.0598","0.0487","","","0.1323","0.1428","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024336","10.4278","0.0008","12.275","0.001","13.8915","0.0011","90","","90","","90","","1778.1","0.2","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 F N O3 -","- C19 H22 F N O3 -","- C76 H88 F4 N4 O12 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.71073","MoKα","","0.0486","0.0406","","","0.1204","0.128","","","","","","0.95","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024337","7.5477","0.0005","13.3662","0.0008","19.4035","0.0012","90","","90","","90","","1957.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.71073","MoKα","","0.0474","0.0377","","","0.1175","0.1279","","","","","","0.94","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024338","9.937","0.006","13.512","0.007","12.023","0.007","90","","100.595","0.009","90","","1586.9","0.1","173.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 -","- C16 H24 N O3 -","- C64 H96 N4 O12 -","4","2","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0429","","","","0.0556","","","","","","1.3","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024339","10.107","0.002","12.684","0.002","13.025","0.002","90","","90","","90","","1669.7","0.5","173.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 N O3 -","- C19 H22 N O3 -","- C76 H88 N4 O12 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0415","","","","0.0552","","","","","","1.29","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024340","10.222","0.003","13.002","0.004","38.53","0.01","90","","90","","90","","5120.4","0.2","173.2","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 F N O3 -","- C19 H21 F N O3 -","- C228 H252 F12 N12 O36 -","12","3","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0515","","","","0.075","","","","","","0.824","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024341","10.349","0.004","13.271","0.004","13.249","0.005","90","","90","","90","","1819","1","173.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O4 -","- C20 H24 N O4 -","- C80 H96 N4 O16 -","4","1","","Qiong Li; Shao-Bo Yang; Zhihui Zhang; Lei Li; Peng-Fei Xu","Diastereo- and Enantioselective Synthesis of β-Hydroxy-α-Amino Acids: Application to the Synthesis of a Key Intermediate for Lactacystin","Journal of Organic Chemistry","2009","74","","1627","1631","10.1021/jo8023973","","","0.7107","MoKα","","","0.0472","","","","0.0597","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024342","15.8347","0.0008","10.7323","0.0009","11.2665","0.0009","90","","97.153","0.004","90","","1899.8","0.2","293","2","173","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H23 F4 N O4 -","- C18 H23 F4 N O4 -","- C72 H92 F16 N4 O16 -","4","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","A Highly Regioselective Ring-Opening Metathesis-Cross Metathesis Process Modulated by the Electronic Effects of the Cross Metathesis Partner: An Entry to Quaternary Prolines","Journal of Organic Chemistry","2009","74","","1736","1739","10.1021/jo802399k","","","0.71073","MoKα","","0.0647","0.0467","","","0.095","0.1055","","","","","","1.059","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024343","9.3859","0.0005","10.639","0.0006","10.8902","0.0006","111.883","0.003","90.183","0.002","102.146","0.002","982.51","0.09","293","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H24 F3 N O4 S -","- C18 H24 F3 N O4 S -","- C36 H48 F6 N2 O8 S2 -","2","1","","Javier Carreras; Alberto Avenoza; Jesús H. Busto; Jesús M. Peregrina","A Highly Regioselective Ring-Opening Metathesis-Cross Metathesis Process Modulated by the Electronic Effects of the Cross Metathesis Partner: An Entry to Quaternary Prolines","Journal of Organic Chemistry","2009","74","","1736","1739","10.1021/jo802399k","","","0.71073","MoKα","","0.0904","0.0573","","","0.1351","0.1591","","","","","","1.021","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024344","25.902","0.004","28.819","0.004","8.794","0.002","90","","90","","90","","6564","2","293","2","293","2","","","","","","","","5","F d d 2","F 2 -2d","43","","methyl 2,4-dimethyl-1,3-dioxo-7-(trifluoromethyl)-2,3,3a,4,9,9a- hexahydro-1H-benzo[f]isoindole-4-carboxylate","","- C17 H16 F3 N O4 -","- C17 H16 F3 N O4 -","- C272 H256 F48 N16 O64 -","16","1","","Manon Chaumontet; Pascal Retailleau; Olivier Baudoin","Cycloadditions of 1,1-Disubstituted Benzocyclobutenes Obtained by C(sp3)-H Activation","Journal of Organic Chemistry","2009","74","","1774","1776","10.1021/jo802471u","","","0.7107","MoKα","","0.0511","0.0365","","","0.0884","0.0957","","","","","","1.042","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024345","13.432","0.003","6.906","0.002","19.147","0.003","90","","113.59","0.01","90","","1627.7","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","methyl 2-methyl-1,3-dioxo-4-propyl-2,3,3a,4,9,9a-hexahydro-1H-benzo[f] isoindole-4-carboxylate","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Manon Chaumontet; Pascal Retailleau; Olivier Baudoin","Cycloadditions of 1,1-Disubstituted Benzocyclobutenes Obtained by C(sp3)-H Activation","Journal of Organic Chemistry","2009","74","","1774","1776","10.1021/jo802471u","","","0.7107","MoKα","","0.0803","0.0489","","","0.1222","0.1405","","","","","","1.022","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024346","8.4404","0.0013","6.8469","0.001","10.5269","0.0016","90","","104.712","0.003","90","","588.41","0.15","153","2","153","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","00437a","","","- C14 H20 B N -","- C14 H20 B N -","- C28 H40 B2 N2 -","2","0.5","","Piotr Kaszynski; Serhii Pakhomov; Mikhail E. Gurskii; Sergey Yu. Erdyakov; Zoya A. Starikova; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Victor G. Young; Yurii N. Bubnov","1-Pyridine- and 1-Quinuclidine-1-boraadamantane as Models for Derivatives of 1-Borabicyclo[2.2.2]octane. Experimental and Theoretical Evaluation of the B-N Fragment as a Polar Isosteric Substitution for the C-C Group in Liquid Crystal Compounds","Journal of Organic Chemistry","2009","74","","1709","1720","10.1021/jo802504c","","","0.71073","MoKα","","0.0555","0.0466","","","0.1223","0.1317","","","","","","1.095","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024347","6.6529","0.0003","10.6665","0.0006","19.3817","0.001","90","","94.689","0.003","90","","1370.78","0.12","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","01011a","","","- C16 H28 B N -","- C16 H28 B N -","- C64 H112 B4 N4 -","4","1","","Piotr Kaszynski; Serhii Pakhomov; Mikhail E. Gurskii; Sergey Yu. Erdyakov; Zoya A. Starikova; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Victor G. Young; Yurii N. Bubnov","1-Pyridine- and 1-Quinuclidine-1-boraadamantane as Models for Derivatives of 1-Borabicyclo[2.2.2]octane. Experimental and Theoretical Evaluation of the B-N Fragment as a Polar Isosteric Substitution for the C-C Group in Liquid Crystal Compounds","Journal of Organic Chemistry","2009","74","","1709","1720","10.1021/jo802504c","","","0.71073","MoKα","","0.0671","0.0513","","","0.1377","0.1451","","","","","","1.036","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024348","6.9875","0.001","15.011","0.002","16.556","0.002","90","","90","","90","","1736.5","0.4","153","2","","","","","","","","","","4","C m c e","-C 2ac 2","64","","","","- C8 H14 B N -","- C8 H14 B N -","- C64 H112 B8 N8 -","8","0.5","","Piotr Kaszynski; Serhii Pakhomov; Mikhail E. Gurskii; Sergey Yu. Erdyakov; Zoya A. Starikova; Konstantin A. Lyssenko; Mikhail Yu. Antipin; Victor G. Young; Yurii N. Bubnov","1-Pyridine- and 1-Quinuclidine-1-boraadamantane as Models for Derivatives of 1-Borabicyclo[2.2.2]octane. Experimental and Theoretical Evaluation of the B-N Fragment as a Polar Isosteric Substitution for the C-C Group in Liquid Crystal Compounds","Journal of Organic Chemistry","2009","74","","1709","1720","10.1021/jo802504c","","","","","","","","","","","","","","","","","","","","","has coordinates","265253","2021-05-16","09:36:36",""
"4024349","5.1367","0.0002","11.0649","0.0005","25.2522","0.0011","90","","90","","90","","1435.26","0.11","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 Br N O2 -","- C16 H14 Br N O2 -","- C64 H56 Br4 N4 O8 -","4","1","","Limin Yang; Bin Tan; Fei Wang; Guofu Zhong","An Unexpected N-Heterocyclic Carbene-Catalyzed Annulation of Enals and Nitroso Compounds","Journal of Organic Chemistry","2009","74","","1744","1746","10.1021/jo802515g","","","0.71073","MoKα","","0.0396","0.0295","","","0.0746","0.0959","","","","","","1.102","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024350","13.875","0.003","6.1786","0.0012","15.772","0.003","90","","101.37","0.03","90","","1325.6","0.5","213","2","213","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H22 O4 -","- C11 H22 O4 -","- C44 H88 O16 -","4","1","","Dnyaneshwar Gawas; Uli Kazmaier","Highly Diastereoselectiveanti-Aldol Reactions of Glycolate Titanium Enolates","Journal of Organic Chemistry","2009","74","","1788","1790","10.1021/jo8025466","","","0.71073","MoKα","","0.1024","0.0476","","","0.1041","0.1192","","","","","","0.821","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024351","5.6973","0.0004","9.7733","0.001","15.2597","0.0015","76.194","0.004","79.635","0.005","85.476","0.005","811.09","0.13","150","1","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H23 N O3 -","- C19 H23 N O3 -","- C38 H46 N2 O6 -","2","1","","Praew Thansandote; David G. Hulcoop; Michael Langer; Mark Lautens","Palladium-Catalyzed Annulation of Haloanilines and Halobenzamides Using Norbornadiene as an Acetylene Synthon: A Route to Functionalized Indolines, Isoquinolinones, and Indoles","Journal of Organic Chemistry","2009","74","","1673","1678","10.1021/jo802604g","","","0.71073","MoKα","","0.0996","0.0565","","","0.1289","0.1558","","","","","","1.013","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024352","6.171","0.001","18.048","0.003","13.106","0.002","90","","96.19","0.01","90","","1451.2","0.4","298","2","298","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,5-diisopropyl-3-(4'-hydroxyphenyl)-6-oxo-verdazyl","","- C14 H19 N4 O2 -","- C14 H19 N4 O2 -","- C56 H76 N16 O8 -","4","1","","Victoria Chemistruck; Dallas Chambers; David J. R. Brook","Structure-Property Relationships of Stable Free Radicals: Verdazyls with Electron-Rich Aryl Substituents","Journal of Organic Chemistry","2009","74","","1850","1857","10.1021/jo8019829","","x-ray","0.71073","MoKα","","","0.0532","","","","0.1463","","","","","","1.119","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024353","20.034","0.004","7.8517","0.0013","20.191","0.003","90","","90","","90","","3176.1","0.9","293","2","296","2","","","","","","","synthesis as described","4","P c a 21","P 2c -2ac","29","","1,5-diisopropyl-3-(2'-methoxyphenyl)-6-oxo-verdazyl","","- C15 H21 N4 O2 -","- C15 H21 N4 O2 -","- C120 H168 N32 O16 -","8","2","","Victoria Chemistruck; Dallas Chambers; David J. R. Brook","Structure-Property Relationships of Stable Free Radicals: Verdazyls with Electron-Rich Aryl Substituents","Journal of Organic Chemistry","2009","74","","1850","1857","10.1021/jo8019829","","","0.71073","MoKα","","0.0605","0.0413","","","0.094","0.1039","","","","","","0.999","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024354","5.9277","0.0005","21.445","0.0015","9.0875","0.0006","90","","99.284","0.008","90","","1140.07","0.15","150","2","150","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H32 O5 -","- C26 H32 O5 -","- C52 H64 O10 -","2","1","","Chanchal K. Malik; Ram Naresh Yadav; Michael G. B. Drew; Subrata Ghosh","Synthesis of Fused Cyclic Systems Containing Medium-Sized Rings through Tandem ROM-RCM of Norbornene Derivatives Embedded in a Carbohydrate Template","Journal of Organic Chemistry","2009","74","","1957","1963","10.1021/jo802077t","","","0.71073","MoKα","","0.193","0.0877","","","0.1269","0.1609","","","","","","0.951","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024355","18.01","0.004","10.186","0.002","18.01","0.004","90","","113.591","0.004","90","","3027.8","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 Br N O -","- C18 H20 Br N O -","- C144 H160 Br8 N8 O8 -","8","2","","Michal Szostak; Lei Yao; Jeffrey Aubé","Stability of Medium-Bridged Twisted Amides in Aqueous Solutions","Journal of Organic Chemistry","2009","74","","1869","1875","10.1021/jo802192v","","","0.71073","MoKα","","0.0644","0.0453","","","0.0883","0.0946","","","","","","0.99","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024356","20.9948","0.0008","20.9948","0.0008","6.782","0.0005","90","","90","","90","","2989.4","0.3","100","2","100","2","","","","","","","","6","I -4","I -4","82","","","","- C52 H104 Cl5 N4 Na O8 -","- C52 H104 Cl5 N4 Na O8 -","- C104 H208 Cl10 N8 Na2 O16 -","2","0.25","","Michal Szostak; Lei Yao; Jeffrey Aubé","Stability of Medium-Bridged Twisted Amides in Aqueous Solutions","Journal of Organic Chemistry","2009","74","","1869","1875","10.1021/jo802192v","","","0.71073","MoKα","","0.0491","0.045","","","0.1166","0.1192","","","","","","1.03","","","","has coordinates","289785","2024-02-12","08:29:27",""
"4024357","24.687","0.003","7.2684","0.0008","16.2726","0.0017","90","","98.9548","0.0019","90","","2884.2","0.5","143","2","143","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Cl2 O3 S -","- C12 H16 Cl2 O3 S -","- C96 H128 Cl16 O24 S8 -","8","2","","Jacob S. Kanady; John D. Nguyen; Joseph W. Ziller; Christopher D. Vanderwal","Synthesis and Characterization of All Four Diastereomers of 3,4-Dichloro-2-pentanol, Motifs Relevant to the Chlorosulfolipids","Journal of Organic Chemistry","2009","74","","2175","2178","10.1021/jo802390e","","","0.71073","MoKα","","0.04","0.0346","","","0.0811","0.0833","","","","","","1.065","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024358","7.5215","0.0004","10.2918","0.0005","10.5956","0.0009","111.58","0.001","100.594","0.001","104.776","0.001","701.45","0.08","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C12 H16 Cl2 O3 S -","- C12 H16 Cl2 O3 S -","- C24 H32 Cl4 O6 S2 -","2","1","","Jacob S. Kanady; John D. Nguyen; Joseph W. Ziller; Christopher D. Vanderwal","Synthesis and Characterization of All Four Diastereomers of 3,4-Dichloro-2-pentanol, Motifs Relevant to the Chlorosulfolipids","Journal of Organic Chemistry","2009","74","","2175","2178","10.1021/jo802390e","","","0.71073","MoKα","","0.0252","0.0243","","","0.0685","0.0693","","","","","","1.039","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024359","11.671","0.0007","7.3634","0.0004","16.6829","0.001","90","","96.886","0.001","90","","1423.36","0.14","143","2","143","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl2 O3 S -","- C12 H16 Cl2 O3 S -","- C48 H64 Cl8 O12 S4 -","4","1","","Jacob S. Kanady; John D. Nguyen; Joseph W. Ziller; Christopher D. Vanderwal","Synthesis and Characterization of All Four Diastereomers of 3,4-Dichloro-2-pentanol, Motifs Relevant to the Chlorosulfolipids","Journal of Organic Chemistry","2009","74","","2175","2178","10.1021/jo802390e","","","0.71073","MoKα","","0.0383","0.0358","","","0.0938","0.0957","","","","","","1.04","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4024360","8.432","0.002","20.859","0.003","31.946","0.005","90","","93.844","0.002","90","","5606.1","1.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","28,28-dimethyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.11.3]nonacosane","","- C26 H50 O4 Si -","- C26 H50 O4 Si -","- C208 H400 O32 Si8 -","8","2","","Alexander O. Terent'ev; Maxim M. Platonov; Anna I. Tursina; Vladimir V. Chernyshev; Gennady I. Nikishin","Ring Contraction of 1,2,4,5,7,8-Hexaoxa-3-silonanes by Selective Reduction of COOSi Fragments. Synthesis of New Silicon-Containing Rings, 1,3,5,6-Tetraoxa-2-silepanes","Journal of Organic Chemistry","2009","74","","1917","1922","10.1021/jo8023957","","x-ray","1.54184","CuKα","","0.3184","0.0844","","","0.1809","0.2572","","","","","","0.894","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024361","17.659","0.007","18.624","0.008","8.505","0.003","91.07","0.02","96.37","0.04","88.63","0.02","2778.7","1.9","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","28,28-dimethyl-13,14,27,29-tetraoxa-28-siladispiro[11.2.11.3]nonacosane","","- C26 H50 O4 Si -","- C26 H50 O4 Si -","- C104 H200 O16 Si4 -","4","2","","Alexander O. Terent'ev; Maxim M. Platonov; Anna I. Tursina; Vladimir V. Chernyshev; Gennady I. Nikishin","Ring Contraction of 1,2,4,5,7,8-Hexaoxa-3-silonanes by Selective Reduction of COOSi Fragments. Synthesis of New Silicon-Containing Rings, 1,3,5,6-Tetraoxa-2-silepanes","Journal of Organic Chemistry","2009","74","","1917","1922","10.1021/jo8023957","powder diffraction","","1.54059","CuKα~1~","","","","","","","","","0.0435","2.194","","","","","","","has coordinates","209101","2020-10-21","18:00:00",""
"4024362","8.7421","0.0001","17.848","0.0003","12.4786","0.0002","90","","90","","90","","1947.02","0.05","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Paquette 1573","","","- C12 H11 N O2 -","- C12 H11 N O2 -","- C96 H88 N8 O16 -","8","1","","Leo A. Paquette; Robert D. Dura; Isabelle Modolo","Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation","Journal of Organic Chemistry","2009","74","","1982","1987","10.1021/jo802476c","","x-ray","0.71073","MoKα","","0.0664","0.0399","","","0.0896","0.0999","","","","","","1.01","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024363","8.6296","0.0001","13.9375","0.0001","18.687","0.0002","101.625","0.003","95.611","0.003","98.74","0.003","2156.68","0.04","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","Paquette 1598","","","- C26 H22 N2 O4 -","- C26 H22 N2 O4 -","- C104 H88 N8 O16 -","4","2","","Leo A. Paquette; Robert D. Dura; Isabelle Modolo","Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation","Journal of Organic Chemistry","2009","74","","1982","1987","10.1021/jo802476c","","x-ray","0.71073","MoKα","","0.06","0.0406","","","0.1071","0.1169","","","","","","1.053","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024364","25.5577","0.0003","27.3903","0.0003","12.1987","0.0001","90","","90","","90","","8539.49","0.15","293","2","293","2","","","","","","","synthesis as described","4","F d d 2","F 2 -2d","43","Paquette 1597","","","- C26 H22 N2 O5 -","- C26 H22 N2 O5 -","- C416 H352 N32 O80 -","16","1","","Leo A. Paquette; Robert D. Dura; Isabelle Modolo","Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation","Journal of Organic Chemistry","2009","74","","1982","1987","10.1021/jo802476c","","x-ray","0.71073","MoKα","","0.0517","0.0364","","","0.0834","0.0901","","","","","","1.023","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024365","7.3446","0.0001","11.9258","0.0002","11.857","0.0002","90","","95.691","0.001","90","","1033.44","0.03","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","Paquette 1593","","","- C11 H9 N O2 S -","- C11 H9 N O2 S -","- C44 H36 N4 O8 S4 -","4","1","","Leo A. Paquette; Robert D. Dura; Isabelle Modolo","Contrasting Responses of Pyrido[2,1-a]isoindol-6-ones and Their Sultam Counterparts to Photochemical Activation","Journal of Organic Chemistry","2009","74","","1982","1987","10.1021/jo802476c","","x-ray","0.71073","MoKα","","0.0563","0.0365","","","0.0958","0.1044","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024366","10.0258","0.0014","10.2798","0.0015","16.313","0.002","88.121","0.003","76.794","0.003","65.924","0.003","1490.9","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C33 H28 Br N O4 S -","- C33 H28 Br N O4 S -","- C66 H56 Br2 N2 O8 S2 -","2","1","","Xiao-Yang Guan; Min Shi","Phosphine-Mediated [3+2] Cycloaddition Reactions of Ethyl 5,5-Diarylpenta-2,3,4-trienoates with Arylmethylidenemalononitriles and N-Tosylimines","Journal of Organic Chemistry","2009","74","","1977","1981","10.1021/jo802489t","","","0.71073","MoKα","","0.1093","0.0627","","","0.1457","0.1727","","","","","","0.877","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024367","10.2036","0.001","11.2203","0.0011","11.5131","0.0012","84.328","0.002","66.732","0.002","79.838","0.002","1191.3","0.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H21 Cl N2 O2 -","- C29 H21 Cl N2 O2 -","- C58 H42 Cl2 N4 O4 -","2","1","","Xiao-Yang Guan; Min Shi","Phosphine-Mediated [3+2] Cycloaddition Reactions of Ethyl 5,5-Diarylpenta-2,3,4-trienoates with Arylmethylidenemalononitriles and N-Tosylimines","Journal of Organic Chemistry","2009","74","","1977","1981","10.1021/jo802489t","","","0.71073","MoKα","","0.0722","0.0593","","","0.1626","0.1731","","","","","","1.055","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024368","24.3555","0.0007","9.3452","0.0003","26.4861","0.0008","90","","113.904","0.003","90","","5511.3","0.3","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33.5 H25 B Cl F2 N3 -","- C33.5 H24 B Cl F2 N3 -","- C268 H192 B8 Cl8 F16 N24 -","8","1","","Erik Lager; Jianzhao Liu; Angélica Aguilar-Aguilar; Ben Zhong Tang; Eduardo Peña-Cabrera","Novelmeso-Polyarylamine-BODIPY Hybrids: Synthesis and Study of Their Optical Properties","Journal of Organic Chemistry","2009","74","","2053","2058","10.1021/jo802519b","","","1.54184","CuKα","","0.0874","0.058","","","0.134","0.1495","","","","","","1.016","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024369","8.632","0.001","14.784","0.003","21.883","0.005","74.74","0.02","80.49","0.02","74.47","0.02","2582.3","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C20 H30 Cl2 N4 O4 S Si -","- C20 H30 Cl2 N4 O4 S Si -","- C80 H120 Cl8 N16 O16 S4 Si4 -","4","2","","Valérie Declerck; Loic Toupet; Jean Martinez; Frédéric Lamaty","Selective [3 + 2] Huisgen Cycloaddition. Synthesis of Trans-Disubstituted Triazolodiazepines from Aza-Baylis-Hillman Adducts","Journal of Organic Chemistry","2009","74","","2004","2007","10.1021/jo802533d","","","0.71069","MoKα","","0.172","0.1147","","","0.3528","0.3702","","","","","","1.201","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024370","8.1701","0.0004","19.146","0.0009","20.1433","0.0009","80.168","0.002","79.911","0.002","82.436","0.002","3039.8","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C54 H44 Cl14 O2 Sb2 -","- C54.866 H44.019 Cl13.95 O2 Sb2 -","- C109.732 H88.038 Cl27.9 O4 Sb4 -","2","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0702","0.0511","","","0.1075","0.1134","","","","","","1.027","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024371","10.9084","0.0002","7.7113","0.0001","17.1754","0.0003","90","","90","","90","","1444.76","0.04","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C18 H12 Br2 -","- C18 H12 Br2 -","- C72 H48 Br8 -","4","0.5","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0263","0.0258","","","0.0664","0.0668","","","","","","1.134","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024372","13.4025","0.0003","14.1016","0.0003","32.0118","0.0006","90","","90","","90","","6050.1","0.2","100","2","100","2","","","","","","","","2","P b c a","-P 2ac 2ab","61","","","","- C44 H30 -","- C44 H30 -","- C352 H240 -","8","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0321","0.0285","","","0.0753","0.0775","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024373","7.1033","0.0001","27.2058","0.0004","15.6121","0.0003","90","","99.047","0.001","90","","2979.52","0.08","100","2","100","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C44 H30 -","- C44 H30 -","- C176 H120 -","4","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0302","0.0282","","","0.0711","0.0724","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024374","15.6346","0.0002","9.3962","0.0001","23.8279","0.0003","90","","106.506","0.001","90","","3356.2","0.07","160","2","160","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 O2 -","- C46 H34 O2 -","- C184 H136 O8 -","4","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0326","0.0306","","","0.0824","0.0841","","","","","","0.947","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024375","6.2204","0.0001","28.4415","0.0005","9.5979","0.0002","90","","96.922","0.001","90","","1685.66","0.05","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C46 H34 O4 -","- C46 H34 O4 -","- C92 H68 O8 -","2","0.5","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0398","0.0346","","","0.091","0.0943","","","","","","0.986","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024376","18.7319","0.0009","14.0417","0.0006","24.5674","0.0011","90","","96.357","0.003","90","","6422.2","0.5","100","2","100","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C42 H42 -","- C42 H42 -","- C336 H336 -","8","2","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0826","0.0705","","","0.1965","0.2054","","","","","","1.04","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024377","6.65","0.0002","11.3864","0.0003","11.6666","0.0003","113.84","0.002","92.775","0.001","93.205","0.002","804.31","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H25 B O3 -","- C17 H25 B O3 -","- C34 H50 B2 O6 -","2","1","","Paromita Debroy; Sergey V. Lindeman; Rajendra Rathore","A Versatile Synthesis of Electroactive Stilbenoprismands for Effective Binding of Metal Cations","Journal of Organic Chemistry","2009","74","","2080","2087","10.1021/jo802579f","","","1.54178","CuKα","","0.0376","0.0316","","","0.085","0.0885","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024378","22.004","0.012","14.111","0.008","15.11","0.008","90","","100.015","0.01","90","","4620","4","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","carboxymethyl-tri-n-tetradecylphosphonium bromide","","- C44 H90 Br O2 P -","- C44 H90 Br O2 P -","- C176 H360 Br4 O8 P4 -","4","1","","Kefeng Ma; Kwang-Ming Lee; Liliya Minkova; Richard G. Weiss","Design Criteria for Ionic Liquid Crystalline Phases of Phosphonium Salts with Three Equivalent Longn-Alkyl Chains","Journal of Organic Chemistry","2009","74","","2088","2098","10.1021/jo802605k","","","0.71073","MoKα","","0.3876","0.0484","","","0.0995","0.1709","","","","","","0.551","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024379","21.568","0.003","14.199","0.002","15.455","0.002","90","","96.566","0.003","90","","4701.9","1.3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","amidomethyl-tri-tetradecylphosphonium bromide","","- C44 H91 Br N O P -","- C44 H91 Br N O P -","- C176 H364 Br4 N4 O4 P4 -","4","1","","Kefeng Ma; Kwang-Ming Lee; Liliya Minkova; Richard G. Weiss","Design Criteria for Ionic Liquid Crystalline Phases of Phosphonium Salts with Three Equivalent Longn-Alkyl Chains","Journal of Organic Chemistry","2009","74","","2088","2098","10.1021/jo802605k","","","0.71073","MoKα","","0.1867","0.0368","","","0.076","0.1158","","","","","","0.73","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024380","9.2652","0.0009","13.7631","0.0013","31.772","0.003","90","","90","","90","","4051.5","0.7","158","2","158","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H22 N2 O2 S -","- C24 H22 N2 O2 S -","- C192 H176 N16 O16 S8 -","8","2","","Xiao-Long Qiu; Jiewen Zhu; Guikai Wu; Wen-Hwa Lee; A. Richard Chamberlin","Stereoselective Synthesis of Chiral IBR2 Analogues","Journal of Organic Chemistry","2009","74","","2018","2027","10.1021/jo802607f","","","0.71073","MoKα","","0.0565","0.0366","","","0.0732","0.0819","","","","","","1.054","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024381","8.4153","0.0009","13.8166","0.0014","17.6679","0.0018","90","","90","","90","","2054.3","0.4","155","2","155","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H22 N2 O2 S -","- C25 H22 N2 O2 S -","- C100 H88 N8 O8 S4 -","4","1","","Xiao-Long Qiu; Jiewen Zhu; Guikai Wu; Wen-Hwa Lee; A. Richard Chamberlin","Stereoselective Synthesis of Chiral IBR2 Analogues","Journal of Organic Chemistry","2009","74","","2018","2027","10.1021/jo802607f","","","0.71073","MoKα","","0.0301","0.0278","","","0.0724","0.0743","","","","","","1.065","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024382","8.5418","0.0014","6.32","0.0012","11.847","0.002","90","","107.98","0.02","90","","608.34","0.19","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H12 N2 O2 -","- C14 H12 N2 O2 -","- C28 H24 N4 O4 -","2","0.5","","Weixin Tang; Yu Xiang; Aijun Tong","Salicylaldehyde Azines as Fluorophores of Aggregation-Induced Emission Enhancement Characteristics","Journal of Organic Chemistry","2009","74","","2163","2166","10.1021/jo802631m","","","0.71073","MoKα","","0.0719","0.0453","","","0.0828","0.0941","","","","","","1.026","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024383","17.6506","0.0003","5.65986","0.00009","19.6269","0.0003","90","","112.271","0.002","90","","1814.46","0.06","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C15 H18 Br3 Cl O3 -","- C15 H18 Br3 Cl O3 -","- C60 H72 Br12 Cl4 O12 -","4","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","1.54184","CuKα","","0.0436","0.0306","","","0.0577","0.0604","","","","","","0.901","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024384","10.08901","0.00012","14.1397","0.0002","26.0378","0.0004","90","","95.048","0.0013","90","","3700.03","0.09","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 Br Cl O2 -","- C11 H16 Br Cl O2 -","- C132 H192 Br12 Cl12 O24 -","12","3","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","0.71073","MoKα","","0.1116","0.0583","","","0.0813","0.0989","","","","","","1.134","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024385","9.29884","0.00006","10.68804","0.00007","13.90395","0.00009","90","","90","","90","","1381.86","0.02","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 Br O4 -","- C13 H19 Br O4 -","- C52 H76 Br4 O16 -","4","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","1.54184","CuKα","","0.0201","0.0196","","","0.0521","0.0523","","","","","","1.047","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024386","9.43332","0.00017","10.8457","0.00015","14.12","0.0003","90","","90","","90","","1444.63","0.04","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 Br3 Cl O2 -","- C11 H16 Br3 Cl O2 -","- C44 H64 Br12 Cl4 O8 -","4","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","1.54184","CuKα","","0.0519","0.0407","","","0.1035","0.1087","","","","","","1.078","","","","has coordinates,has disorder","178422","2020-10-21","18:00:00",""
"4024387","5.5066","0.0002","8.4345","0.0004","9.5074","0.0004","64.62","0.004","89.601","0.004","89.365","0.004","398.93","0.03","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C13 H20 Br2 O5 -","- C13 H20 Br2 O5 -","- C13 H20 Br2 O5 -","1","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","1.54184","CuKα","","0.032","0.0319","","","0.0828","0.0829","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024388","15.615","0.0003","11.0079","0.0002","9.15002","0.00019","90","","99.8615","0.0018","90","","1549.54","0.05","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br2 Cl O4 -","- C13 H19 Br2 Cl O4 -","- C52 H76 Br8 Cl4 O16 -","4","1","","D. Christopher Braddock; David S. Millan; Yolanda Pérez-Fuertes; Rebecca H. Pouwer; Richard N. Sheppard; Savade Solanki; Andrew J. P. White","Bromonium Ion Induced Transannular Oxonium Ion Formation-Fragmentation in Model Obtusallene Systems and Structural Reassignment of Obtusallenes V-VII","Journal of Organic Chemistry","2009","74","","1835","1841","10.1021/jo8026577","","","0.71073","MoKα","","0.0433","0.0263","","","0.0631","0.0714","","","","","","1.071","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024389","10.433","0.003","11.751","0.003","12.122","0.003","90","","91.12","0.02","90","","1486","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C11 H12 Br3 N O4 -","- C11 H12 Br3 N O4 -","- C44 H48 Br12 N4 O16 -","4","1","","Bichismita Sahu; Guddeangadi N. Gururaja; Shaikh M. Mobin; Irishi N. N. Namboothiri","Facile Synthesis of β-Tribromomethyl and Dibromomethylenated Nitroalkanes via Conjugate Addition of Bromoform to Nitroalkenes","Journal of Organic Chemistry","2009","74","","2601","2604","10.1021/jo802274q","","","0.71073","MoKα","","0.0916","0.0354","","","0.0718","0.0791","","","","","","0.783","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024390","7.8886","0.0011","10.8447","0.0013","12.5544","0.0013","90","","93.54","0.009","90","","1072","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H8 Br3 N O3 -","- C6 H8 Br3 N O3 -","- C24 H32 Br12 N4 O12 -","4","1","","Bichismita Sahu; Guddeangadi N. Gururaja; Shaikh M. Mobin; Irishi N. N. Namboothiri","Facile Synthesis of β-Tribromomethyl and Dibromomethylenated Nitroalkanes via Conjugate Addition of Bromoform to Nitroalkenes","Journal of Organic Chemistry","2009","74","","2601","2604","10.1021/jo802274q","","","0.71073","MoKα","","0.0411","0.0301","","","0.0751","0.0774","","","","","","0.992","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024391","7.735","0.003","13.855","0.005","10.472","0.003","90","","90.82","0.03","90","","1122.1","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C7 H10 Br3 N O2 -","- C7 H10 Br3 N O2 -","- C28 H40 Br12 N4 O8 -","4","1","","Bichismita Sahu; Guddeangadi N. Gururaja; Shaikh M. Mobin; Irishi N. N. Namboothiri","Facile Synthesis of β-Tribromomethyl and Dibromomethylenated Nitroalkanes via Conjugate Addition of Bromoform to Nitroalkenes","Journal of Organic Chemistry","2009","74","","2601","2604","10.1021/jo802274q","","","0.71073","MoKα","","0.0799","0.0463","","","0.1023","0.1117","","","","","","1.033","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4024392","7.3612","0.0005","11.0472","0.0012","15.508","0.0018","90","","102.165","0.008","90","","1232.8","0.2","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C10 H9 Br2 N O3 -","- C10 H9 Br2 N O3 -","- C40 H36 Br8 N4 O12 -","4","1","","Bichismita Sahu; Guddeangadi N. Gururaja; Shaikh M. Mobin; Irishi N. N. Namboothiri","Facile Synthesis of β-Tribromomethyl and Dibromomethylenated Nitroalkanes via Conjugate Addition of Bromoform to Nitroalkenes","Journal of Organic Chemistry","2009","74","","2601","2604","10.1021/jo802274q","","","0.71073","MoKα","","0.0763","0.0447","","","0.1158","0.129","","","","","","1.081","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024393","9.6721","0.0007","6.0987","0.0004","10.3902","0.0008","90","","105.755","0.001","90","","589.86","0.07","153","2","153","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C13 H23 N O -","- C13 H23 N O -","- C26 H46 N2 O2 -","2","1","","Caitlin M. Binder; April Bautista; Marek Zaidlewicz; Marek P. Krzemiński; Allen Oliver; Bakthan Singaram","Dual Stereoselectivity in the Dialkylzinc Reaction Using (-)-β-Pinene Derived Amino Alcohol Chiral Auxiliaries","Journal of Organic Chemistry","2009","74","","2337","2343","10.1021/jo802371z","","","0.71073","MoKα","","0.0432","0.0398","","","0.1051","0.1079","","","","","","1.053","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024394","6.1721","0.0006","10.284","0.0011","19.865","0.002","90","","90","","90","","1260.9","0.2","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O -","- C14 H25 N O -","- C56 H100 N4 O4 -","4","1","","Caitlin M. Binder; April Bautista; Marek Zaidlewicz; Marek P. Krzemiński; Allen Oliver; Bakthan Singaram","Dual Stereoselectivity in the Dialkylzinc Reaction Using (-)-β-Pinene Derived Amino Alcohol Chiral Auxiliaries","Journal of Organic Chemistry","2009","74","","2337","2343","10.1021/jo802371z","","","0.71073","MoKα","","0.0388","0.0328","","","0.0824","0.0865","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024395","6.0276","0.001","19.16","0.003","6.0924","0.001","90","","106.163","0.002","90","","675.78","0.19","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H24 Cl N O2 -","- C13 H24 Cl N O2 -","- C26 H48 Cl2 N2 O4 -","2","1","","Caitlin M. Binder; April Bautista; Marek Zaidlewicz; Marek P. Krzemiński; Allen Oliver; Bakthan Singaram","Dual Stereoselectivity in the Dialkylzinc Reaction Using (-)-β-Pinene Derived Amino Alcohol Chiral Auxiliaries","Journal of Organic Chemistry","2009","74","","2337","2343","10.1021/jo802371z","","","0.71073","MoKα","","0.0434","0.0356","","","0.0739","0.0769","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024396","15.0086","0.0018","5.5608","0.0007","18.443","0.002","90","","105.738","0.003","90","","1481.6","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 N O3 -","- C17 H17 N O3 -","- C68 H68 N4 O12 -","4","1","","U. C. Reddy; S. Bondalapati; Anil K. Saikia","Stereoselective One-Pot, Three-Component Synthesis of 4-Aryltetrahydropyran via Prins-Friedel-Crafts Reaction","Journal of Organic Chemistry","2009","74","","2605","2608","10.1021/jo802531h","","","0.71073","MoKα","","0.0984","0.0434","","","0.0996","0.1218","","","","","","0.968","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024397","16.873","0.0006","10.3219","0.0003","9.8594","0.0003","90","","98.28","0.001","90","","1699.23","0.09","123","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O4 -","- C21 H24 O4 -","- C84 H96 O16 -","4","1","","Ylva E. Bergman; Roger Mulder; Patrick Perlmutter","Total Synthesis of 20-Norsalvinorin A. 1. Preparation of a Key Intermediate","Journal of Organic Chemistry","2009","74","","2589","2591","10.1021/jo802623n","","","0.71073","MoKα","","0.0678","0.0609","","","0.1236","0.1268","","","","","","1.207","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024398","16.6579","0.0007","6.185","0.0003","15.0265","0.0006","90","","98.553","0.002","90","","1530.95","0.12","150","2","150","2","","","","","","","Synthesized by the authors. See text","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 Br O3 -","- C15 H21 Br O3 -","- C60 H84 Br4 O12 -","4","1","","Irina Denissova; Luca Maretti; Brian C. Wilkes; J.C. Scaiano; Yvan Guindon","Raising the Ceiling of Diastereoselectivity in Hydrogen Transfer on Acyclic Radicals","Journal of Organic Chemistry","2009","74","","2438","2446","10.1021/jo802634w","","","1.54178","CuKα","","0.0319","0.0276","","","0.0717","0.0737","","","","","","1.042","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024399","9.3732","0.0005","13.9484","0.0006","14.0455","0.0006","90","","90","","90","","1836.32","0.15","120","","120","","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C24 H20 N4 -","- C24 H20 N4 -","- C96 H80 N16 -","4","0.5","","Mujeeb Khan; Volker Enkelmann; Gunther Brunklaus","Solid-State NMR and X-ray Analysis of Structural Transformations in O-H...N Heterosynthons Formed by Hydrogen-Bond-Mediated Molecular Recognition","Journal of Organic Chemistry","2009","74","","2261","2270","10.1021/jo802673f","","","0.71073","MoKα","","0.1407","0.05","","0.0373","0.0339","0.0339","","","","","","1.257","","","","has coordinates","178422","2020-10-21","18:00:00",""
"4024400","10.1485","0.0004","7.1265","0.0003","20.0717","0.0006","90","","94.684","0.002","90","","1446.8","0.09","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 N2 O2 -","- C18 H16 N2 O2 -","- C72 H64 N8 O8 -","4","1","","Mujeeb Khan; Volker Enkelmann; Gunther Brunklaus","Solid-State NMR and X-ray Analysis of Structural Transformations in O-H...N Heterosynthons Formed by Hydrogen-Bond-Mediated Molecular Recognition","Journal of Organic Chemistry","2009","74","","2261","2270","10.1021/jo802673f","","","0.71073","MoKα","","0.0617","0.0421","","0.0671","0.0548","0.0548","","","","","","1.0218","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4024401","10.1927","0.0005","7.161","0.0009","20.2559","0.0008","90","","94.1624","0.0014","90","","1474.6","0.2","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C72 H72 N8 O8 -","4","1","","Mujeeb Khan; Volker Enkelmann; Gunther Brunklaus","Solid-State NMR and X-ray Analysis of Structural Transformations in O-H...N Heterosynthons Formed by Hydrogen-Bond-Mediated Molecular Recognition","Journal of Organic Chemistry","2009","74","","2261","2270","10.1021/jo802673f","","","0.71073","MoKα","","0.1177","0.0378","","0.0763","0.043","0.043","","","","","","1.1332","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024402","20.827","0.004","14.58","0.003","26.455","0.005","90","","111.3","0.03","90","","7484","3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H35 N3 O2 S -","- C40 H35 N3 O2 S -","- C320 H280 N24 O16 S8 -","8","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.71073","MoKα","","0.0865","0.0517","","","0.141","0.1506","","","","","","0.882","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024403","12.553","0.007","15.7","0.008","15.905","0.009","79.87","0.02","82.14","0.02","83.29","0.02","3043","3","113","2","113","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H35 N3 O2 S -","- C36 H35 N3 O2 S -","- C144 H140 N12 O8 S4 -","4","2","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.1958","0.1151","","","0.3229","0.3921","","","","","","1.023","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024404","14.6346","0.0014","16.416","0.0017","11.7446","0.0013","90","","90","","90","","2821.5","0.5","113","2","113","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C32 H35 N3 O2 S -","- C32 H35 N3 O2 S -","- C128 H140 N12 O8 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.0591","0.0489","","","0.1112","0.1163","","","","","","1.009","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024405","19.773","0.002","9.6285","0.0008","20.595","0.002","90","","118.257","0.003","90","","3453.7","0.6","113","2","113","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C39 H41 N3 O3 S -","- C39 H41 N3 O3 S -","- C156 H164 N12 O12 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.0816","0.0686","","","0.168","0.1783","","","","","","1.087","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024406","10.7265","0.0003","27.9714","0.0008","12.3434","0.0004","90","","109.745","0.002","90","","3485.71","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H38 N4 O3 S -","- C38 H38 N4 O3 S -","- C152 H152 N16 O12 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.71073","MoKα","","0.0702","0.0466","","","0.1065","0.1188","","","","","","1.021","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024407","31.981","0.006","10.008","0.002","23.073","0.005","90","","123.03","0.03","90","","6191","2","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C35 H32 N4 O2 S -","- C35 H32 N4 O2 S -","- C280 H256 N32 O16 S8 -","8","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.71073","MoKα","","0.0935","0.0613","","","0.1234","0.1365","","","","","","1.057","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024408","10.451","0.006","22.396","0.014","13.213","0.008","90","","95.01","0.013","90","","3081","3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C35 H32 N4 O2 S -","- C35 H32 N4 O2 S -","- C140 H128 N16 O8 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.71073","MoKα","","0.1418","0.0473","","","0.0899","0.1172","","","","","","1.011","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024409","13.3539","0.0019","13.481","0.002","16.861","0.002","90","","90","","90","","3035.4","0.8","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H32 N4 O2 S -","- C35 H32 N4 O2 S -","- C140 H128 N16 O8 S4 -","4","1","","Ying Cheng; Bo Wang; Xiao-Rong Wang; Jian-Hong Zhang; De-Cai Fang","An Experimental and Theoretical Study on the Interaction of N-Heterocyclic Carbene-Derived 1,3-Dipoles with Methoxycarbonylallenes: Highly Regio- and Stereoselective [3+2]-Cycloadditions Controlled by the Structures of N-Heterocycles of 1,3-Dipoles","Journal of Organic Chemistry","2009","74","","2357","2367","10.1021/jo802687m","","","0.7107","MoKα","","0.0401","0.0366","","","0.0801","0.0819","","","","","","1.042","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024410","5.9053","0.0001","13.5525","0.0002","16.3577","0.0003","90","","90","","90","","1309.1","0.1","20","0.05","20","0.05","","","","","","","","3","P b c a","-P 2ac 2ab","61","Meldrum's Acid","","","- C6 H8 O4 -","- C6 H8 O4 -","- C48 H64 O32 -","8","1","","Deepak Chopra; Vladimir V. Zhurov; Elizabeth A. Zhurova; A. Alan Pinkerton","Chemical Bonding and Structure-Reactivity Correlation in Meldrum's Acid: A Combined Experimental and Theoretical Electron Density Study","Journal of Organic Chemistry","2009","74","","2389","2395","10.1021/jo8027054","","","0.71073","MoKα","","0.013","0.013","","","","0.023","0.015","","","","","1.0473","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024411","12.9824","0.0003","10.2376","0.0002","10.7952","0.0002","90","","91.485","0.001","90","","1434.29","0.05","100","2","100","2","","","","","","","synthesized","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 Br N -","- C16 H20 Br N -","- C64 H80 Br4 N4 -","4","1","","Dusan Hesek; Mijoon Lee; Bruce C. Noll; Jed F. Fisher; Shahriar Mobashery","Complications from Dual Roles of Sodium Hydride as a Base and as a Reducing Agent","Journal of Organic Chemistry","2009","74","","2567","2570","10.1021/jo802706d","","x-ray","1.54178","CuKα","","0.0215","0.0209","","","0.0534","0.0538","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024412","9.0162","0.0004","9.5201","0.0004","9.5212","0.0004","111.414","0.002","99.719","0.002","91.631","0.002","746.29","0.06","100","2","100","2","","","","","","","synthesized","3","P -1","-P 1","2","","","","- C18 H20 N2 -","- C18 H20 N2 -","- C36 H40 N4 -","2","1","","Dusan Hesek; Mijoon Lee; Bruce C. Noll; Jed F. Fisher; Shahriar Mobashery","Complications from Dual Roles of Sodium Hydride as a Base and as a Reducing Agent","Journal of Organic Chemistry","2009","74","","2567","2570","10.1021/jo802706d","","x-ray","1.54178","CuKα","","0.0405","0.0386","","","0.0989","0.1006","","","","","","1.035","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024413","12.8213","0.0007","15.9442","0.0007","6.1647","0.0004","90","","90","","90","","1260.22","0.12","100","2","100","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C4 H6 N6 O -","- C4 H6 N6 O -","- C32 H48 N48 O8 -","8","1","","Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll","Synthesis of Functionalized Tetrazenes as Energetic Compounds","Journal of Organic Chemistry","2009","74","","2460","2466","10.1021/jo802738c","","","0.71073","MoKα","","0.0543","0.0393","","","0.1023","0.1145","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024414","9.8701","0.0005","8.4761","0.0004","16.1109","0.0008","90","","90","","90","","1347.84","0.11","200","2","200","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","bis(1,1'-methyl-1,1'-(2-hydroxyethyl)tetrazolyl))tetrazene","","","- C8 H16 N12 O2 -","- C8 H16 N12 O2 -","- C32 H64 N48 O8 -","4","0.5","","Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll","Synthesis of Functionalized Tetrazenes as Energetic Compounds","Journal of Organic Chemistry","2009","74","","2460","2466","10.1021/jo802738c","","","0.71073","MoKα","","0.0381","0.0271","","","0.0702","0.0782","","","","","","1.058","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024415","6.2353","0.0003","9.172","0.0004","9.746","0.0006","114.736","0.005","94.422","0.004","92.195","0.004","503.19","0.05","200","2","200","2","","","","","","","","4","P -1","-P 1","2","Bis(1,1'-methyl-1,1'-(iso-propyl-2-(1H-tetrazolyl) acetate))tetrazene","","","- C14 H24 N12 O4 -","- C14 H24 N12 O4 -","- C14 H24 N12 O4 -","1","0.5","","Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll","Synthesis of Functionalized Tetrazenes as Energetic Compounds","Journal of Organic Chemistry","2009","74","","2460","2466","10.1021/jo802738c","","","0.71073","MoKα","","0.0407","0.0302","","","0.0796","0.0858","","","","","","1.112","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024416","11.0279","0.0004","15.4282","0.0004","8.9824","0.0003","90","","113.594","0.004","90","","1400.51","0.08","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","bis(1,1'-methyl-1,1'-( 2-(1H-tetrazolyl)acetic acid))tetrazene","","","- C8 H12 N12 O4 -","- C8 H12 N12 O4 -","- C32 H48 N48 O16 -","4","1","","Johannes Heppekausen; Thomas M. Klapötke; Stefan M. Sproll","Synthesis of Functionalized Tetrazenes as Energetic Compounds","Journal of Organic Chemistry","2009","74","","2460","2466","10.1021/jo802738c","","","0.71073","MoKα","","0.0429","0.0291","","","0.074","0.0799","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024417","16.4843","0.0015","9.9238","0.0009","16.6985","0.0016","90","","106.622","0.002","90","","2617.5","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H32 O5 -","- C33 H24 O5 -","- C132 H96 O20 -","4","1","","Zhi-Bin Zhu; Min Shi","Acid-Catalyzed Cascade Ring-Opening and Addition Reactions of Arylvinylcyclopropenes with α,β-Unsaturated Substrates, Scope and Limitations","Journal of Organic Chemistry","2009","74","","2481","2485","10.1021/jo802786r","","","0.71073","MoKα","","0.1171","0.09","","","0.2676","0.29","","","","","","1.047","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024418","8.206","0.0017","10.129","0.002","12.189","0.003","66.066","0.003","79.794","0.004","79.539","0.004","904.5","0.3","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C25 H22 -","- C25 H22 -","- C50 H44 -","2","1","","Zhi-Bin Zhu; Min Shi","Acid-Catalyzed Cascade Ring-Opening and Addition Reactions of Arylvinylcyclopropenes with α,β-Unsaturated Substrates, Scope and Limitations","Journal of Organic Chemistry","2009","74","","2481","2485","10.1021/jo802786r","","","0.71073","MoKα","","0.0993","0.0705","","","0.202","0.2176","","","","","","1.074","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024419","6.3126","0.0008","41.037","0.005","8.6916","0.0011","90","","94.553","0.003","90","","2244.4","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H28 O -","- C29 H28 O -","- C116 H112 O4 -","4","1","","Zhi-Bin Zhu; Min Shi","Acid-Catalyzed Cascade Ring-Opening and Addition Reactions of Arylvinylcyclopropenes with α,β-Unsaturated Substrates, Scope and Limitations","Journal of Organic Chemistry","2009","74","","2481","2485","10.1021/jo802786r","","","0.71073","MoKα","","0.1006","0.0794","","","0.2012","0.2156","","","","","","1.105","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024420","5.4356","0.0016","13.512","0.004","18.503","0.006","90","","90","","90","","1359","0.7","298","1","298","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C56 H92 N4 O8 -","4","1","","José C. González-Gómez; Francisco Foubelo; Miguel Yus","Modular Stereocontrolled Assembly of R2Zn, Cyclic Enones and N-tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2009","74","","2547","2553","10.1021/jo802812w","","","0.71073","MoKα","","0.0956","0.0666","","","0.1406","0.1543","","","","","","1.093","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024421","5.8939","0.001","10.3365","0.0018","26.251","0.005","90","","90.417","0.004","90","","1599.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Br N3 O2 -","- C17 H14 Br N3 O2 -","- C68 H56 Br4 N12 O8 -","4","1","","Min Jiang; Min Shi","Reactions of Monoaryl-Substituted Methylenecyclobutanes and Methylenecyclopropanes with 1-Hydroxybenzotriazole (HOBt), 1-Hydroxy-7-azabenzotriazole (HOAt), and 1-Hydroxysuccinimide (HOSu)","Journal of Organic Chemistry","2009","74","","2516","2520","10.1021/jo9000299","","","0.71073","MoKα","","0.12","0.0527","","","0.1172","0.1552","","","","","","0.823","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024422","6.9387","0.0002","13.8095","0.0005","18.6075","0.0006","90","","90","","90","","1782.97","0.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 Br O2 -","- C20 H23 Br O2 -","- C80 H92 Br4 O8 -","4","1","","Nai-Wen Tseng; Mark Lautens","Rhodium-Catalyzed Vinylcyclopropanation/Cyclopentenation of Strained Alkenes via a Sequential Carborhodation Process","Journal of Organic Chemistry","2009","74","","2521","2526","10.1021/jo900039g","","","0.71073","MoKα","","0.0714","0.0366","","","0.0747","0.0861","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024423","23.04","0.008","11.81","0.004","9.619","0.003","90","","92.597","0.007","90","","2614.7","1.5","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C31 H32 N4 O3 -","- C31 H32 N4 O3 -","- C124 H128 N16 O12 -","4","1","","Mikhail Krasavin; Sergey Shkavrov; Vladislav Parchinsky; Konstantin Bukhryakov","Imidazo[1,2-a]quinoxalines Accessed via Two Sequential Isocyanide-Based Multicomponent Reactions","Journal of Organic Chemistry","2009","74","","2627","2629","10.1021/jo900050k","","","0.71073","MoKα","","0.0909","0.0476","","","0.0694","0.0747","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024424","12.9231","0.0011","6.6306","0.0006","35.487","0.003","90","","96.199","0.002","90","","3023","0.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Dicyclohexylamino)propane-1,3-diol","","- C15 H29 N O2 -","- C15 H29 N O2 -","- C120 H232 N8 O16 -","8","2","","Minmin Yang; Thomas Albrecht-Schmitt; Vince Cammarata; Peter Livant; David S. Makhanu; Richard Sykora; Wei Zhu","Trialkylamines More Planar at Nitrogen Than Triisopropylamine in the Solid State","Journal of Organic Chemistry","2009","74","","2671","2678","10.1021/jo802086h","","","0.71073","MoKα","","0.12","0.0608","","","0.1276","0.1494","","","","","","0.921","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024425","7.4601","0.0007","7.5153","0.0007","11.1194","0.001","86.462","0.002","72.485","0.002","64.207","0.001","533.53","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","2-(Diisopropylamino)propane-1,3-diol","","- C9 H21 N O2 -","- C9 H21 N O2 -","- C18 H42 N2 O4 -","2","1","","Minmin Yang; Thomas Albrecht-Schmitt; Vince Cammarata; Peter Livant; David S. Makhanu; Richard Sykora; Wei Zhu","Trialkylamines More Planar at Nitrogen Than Triisopropylamine in the Solid State","Journal of Organic Chemistry","2009","74","","2671","2678","10.1021/jo802086h","","","0.71073","MoKα","","0.0529","0.0481","","","0.1241","0.1284","","","","","","1.034","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024426","7.2537","0.0015","12.906","0.003","14.907","0.003","65.765","0.004","85.429","0.004","83.2","0.004","1262.9","0.5","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","2-(2,2,6,6-Tetramethyl-1-piperidinyl)propane-1,3-diol","","- C12 H25 N O2 -","- C12 H25 N O2 -","- C48 H100 N4 O8 -","4","2","","Minmin Yang; Thomas Albrecht-Schmitt; Vince Cammarata; Peter Livant; David S. Makhanu; Richard Sykora; Wei Zhu","Trialkylamines More Planar at Nitrogen Than Triisopropylamine in the Solid State","Journal of Organic Chemistry","2009","74","","2671","2678","10.1021/jo802086h","","","0.71073","MoKα","","0.0665","0.0515","","","0.1388","0.1477","","","","","","1.057","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024427","10.9485","0.0006","11.1399","0.0006","14.3517","0.0008","90","","103.7","0.001","90","","1700.61","0.16","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","2,3-Bis(diisopropylamino)-1-propanol","","- C15 H34 N2 O -","- C15 H34 N2 O -","- C60 H136 N8 O4 -","4","1","","Minmin Yang; Thomas Albrecht-Schmitt; Vince Cammarata; Peter Livant; David S. Makhanu; Richard Sykora; Wei Zhu","Trialkylamines More Planar at Nitrogen Than Triisopropylamine in the Solid State","Journal of Organic Chemistry","2009","74","","2671","2678","10.1021/jo802086h","","","0.71073","MoKα","","0.0945","0.0729","","","0.1996","0.2191","","","","","","1.055","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024428","6.4556","0.0007","13.4106","0.0015","17.6286","0.0019","90","","95.762","0.002","90","","1518.5","0.3","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(Dicyclohexylamino)-2-methylpropane-1,3-diol","","- C16 H31 N O2 -","- C16 H31 N O2 -","- C64 H124 N4 O8 -","4","1","","Minmin Yang; Thomas Albrecht-Schmitt; Vince Cammarata; Peter Livant; David S. Makhanu; Richard Sykora; Wei Zhu","Trialkylamines More Planar at Nitrogen Than Triisopropylamine in the Solid State","Journal of Organic Chemistry","2009","74","","2671","2678","10.1021/jo802086h","","","0.71073","MoKα","","0.0511","0.0458","","","0.126","0.1298","","","","","","1.052","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024429","7.258","0.008","8.97","0.01","8.41","0.01","90","","110.889","0.016","90","","511.5","1","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C20 H28 O10 -","2","1","","C. V. Ramana; Sharad B. Suryawanshi; Rajesh G. Gonnade","Pd(II)-Mediated Alkynediol Spiroketalization: First Total Synthesis of (-)-Cephalosporolide E and (+)-Cephalosporolide F","Journal of Organic Chemistry","2009","74","","2842","2845","10.1021/jo802539z","","","0.71073","MoKα","","0.0592","0.0558","","","0.146","0.149","","","","","","1.116","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024430","10.036","0.005","9.173","0.004","10.955","0.005","90","","90.174","0.008","90","","1008.6","0.8","297","2","297","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H14 O4 -","- C10 H14 O4 -","- C40 H56 O16 -","4","2","","C. V. Ramana; Sharad B. Suryawanshi; Rajesh G. Gonnade","Pd(II)-Mediated Alkynediol Spiroketalization: First Total Synthesis of (-)-Cephalosporolide E and (+)-Cephalosporolide F","Journal of Organic Chemistry","2009","74","","2842","2845","10.1021/jo802539z","","","0.71073","MoKα","","0.0442","0.036","","","0.0896","0.0939","","","","","","1.024","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024431","10.5012","0.001","17.8328","0.0017","17.776","0.0017","90","","94.963","0.002","90","","3316.4","0.5","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C88 H96 Zr2 -","- C88 H96 Zr2 -","- C176 H192 Zr4 -","2","0.5","","Adam D. Miller; Jennifer L. McBee; T. Don Tilley","Zirconocene-Mediated Macrocyclizations of Diynes Containing Di-o-Methylphenylene Spacers","Journal of Organic Chemistry","2009","74","","2880","2883","10.1021/jo802715m","","","0.775","synchrotron","","0.0842","0.06","","","0.1641","0.1848","","","","","","1.09","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024432","6.7518","0.0003","17.3942","0.0007","31.4299","0.0013","90","","90","","90","","3691.2","0.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 Br N O6 S -","- C17 H14 Br N O6 S -","- C136 H112 Br8 N8 O48 S8 -","8","2","","Chao Zhou; Zhao Fang; Chunling Fu; Shengming Ma","Highly Regio- and Stereoselective Oxidative Hydroacetoxylation of 1,2-Allenylic Sulfoxides via a Different Mechanism","Journal of Organic Chemistry","2009","74","","2887","2890","10.1021/jo802755k","","","0.71073","MoKα","","0.0569","0.0379","","","0.0886","0.0988","","","","","","1.049","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024433","20.235","0.002","7.9255","0.0008","16.7147","0.0018","90","","109.567","0.002","90","","2525.8","0.5","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 O4 S -","- C12 H14 O4 S -","- C96 H112 O32 S8 -","8","1","","Chao Zhou; Zhao Fang; Chunling Fu; Shengming Ma","Highly Regio- and Stereoselective Oxidative Hydroacetoxylation of 1,2-Allenylic Sulfoxides via a Different Mechanism","Journal of Organic Chemistry","2009","74","","2887","2890","10.1021/jo802755k","","","0.71073","MoKα","","0.0811","0.0462","","","0.0768","0.0847","","","","","","0.824","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024434","8.3591","0.0013","23.949","0.004","8.0712","0.0013","90","","111.071","0.003","90","","1507.7","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O4 S -","- C14 H18 O4 S -","- C56 H72 O16 S4 -","4","1","","Chao Zhou; Zhao Fang; Chunling Fu; Shengming Ma","Highly Regio- and Stereoselective Oxidative Hydroacetoxylation of 1,2-Allenylic Sulfoxides via a Different Mechanism","Journal of Organic Chemistry","2009","74","","2887","2890","10.1021/jo802755k","","","0.71073","MoKα","","0.1147","0.0664","","","0.1588","0.1824","","","","","","0.889","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024435","10.391","0.0019","19.155","0.004","19.178","0.004","107.102","0.002","93.505","0.003","91.272","0.002","3638.3","1.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","","","- C48 H40 N2 O2 -","- C48 H40 N2 O2 -","- C192 H160 N8 O8 -","4","2","","Kosuke Katagiri; Taichi Tohaya; Hyuma Masu; Masahide Tominaga; Isao Azumaya","Effect of Aromatic-Aromatic Interactions on the Conformational Stabilities of Macrocycle and Preorganized Structure during Macrocyclization","Journal of Organic Chemistry","2009","74","","2804","2810","10.1021/jo802801n","","","0.71073","MoKα","","0.1044","0.0529","","","0.1303","0.1557","","","","","","0.807","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024436","30.709","0.005","8.4717","0.0014","18.198","0.003","90","","111.575","0.002","90","","4402.6","1.3","150","","150","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C50 H42 Cl6 N2 O2 -","- C50 H42 Cl6 N2 O2 -","- C200 H168 Cl24 N8 O8 -","4","0.5","","Kosuke Katagiri; Taichi Tohaya; Hyuma Masu; Masahide Tominaga; Isao Azumaya","Effect of Aromatic-Aromatic Interactions on the Conformational Stabilities of Macrocycle and Preorganized Structure during Macrocyclization","Journal of Organic Chemistry","2009","74","","2804","2810","10.1021/jo802801n","","","0.71073","MoKα","","0.1219","0.0638","","","0.1687","0.2015","","","","","","1.129","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024437","7.765","0.002","24.472","0.007","13.084","0.004","90","","101.834","0.005","90","","2433.5","1.2","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C60 H52 N4 O4 -","- C60 H52 N4 O4 -","- C120 H104 N8 O8 -","2","0.5","","Kosuke Katagiri; Taichi Tohaya; Hyuma Masu; Masahide Tominaga; Isao Azumaya","Effect of Aromatic-Aromatic Interactions on the Conformational Stabilities of Macrocycle and Preorganized Structure during Macrocyclization","Journal of Organic Chemistry","2009","74","","2804","2810","10.1021/jo802801n","","","0.71073","MoKα","","0.2078","0.0874","","","0.2175","0.2942","","","","","","0.946","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024438","16.925","0.003","15.637","0.003","22.381","0.004","90","","103.617","0.004","90","","5756.8","1.9","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C64 H64 N4 O9 -","- C64 H64 N4 O9 -","- C256 H256 N16 O36 -","4","1","","Kosuke Katagiri; Taichi Tohaya; Hyuma Masu; Masahide Tominaga; Isao Azumaya","Effect of Aromatic-Aromatic Interactions on the Conformational Stabilities of Macrocycle and Preorganized Structure during Macrocyclization","Journal of Organic Chemistry","2009","74","","2804","2810","10.1021/jo802801n","","","0.71073","MoKα","","0.136","0.0797","","","0.2193","0.26","","","","","","0.986","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024439","8.9054","0.0005","12.2932","0.0008","16.4551","0.0009","90","","90","","90","","1801.44","0.18","113","2","113","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Hephzibah J. Kumpaty; Michael L. Van Linn; M. Shahjahan Kabir; F. Holger Försterling; Jeffrey R. Deschamps; James M. Cook","Study of the Cis to Trans Isomerization of 1-Phenyl-2,3-disubstituted Tetrahydro-β-carbolines at C(1). Evidence for the Carbocation-Mediated Mechanism","Journal of Organic Chemistry","2009","74","","2771","2779","10.1021/jo8028168","","","0.71073","MoKα","","0.0315","0.0302","","","0.0812","0.0825","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024440","9.3419","0.0006","13.3456","0.0007","19.2967","0.001","90","","90","","90","","2405.8","0.2","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 Cl N3 O4 -","- C27 H26 Cl N3 O4 -","- C108 H104 Cl4 N12 O16 -","4","1","","Hephzibah J. Kumpaty; Michael L. Van Linn; M. Shahjahan Kabir; F. Holger Försterling; Jeffrey R. Deschamps; James M. Cook","Study of the Cis to Trans Isomerization of 1-Phenyl-2,3-disubstituted Tetrahydro-β-carbolines at C(1). Evidence for the Carbocation-Mediated Mechanism","Journal of Organic Chemistry","2009","74","","2771","2779","10.1021/jo8028168","","","0.71073","MoKα","","0.0435","0.0349","","","0.0836","0.088","","","","","","1","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024441","11.8759","0.0014","9.4026","0.0011","23.997","0.003","90","","90","","90","","2679.6","0.6","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-methyl-4-p-tolyl-2H-1,4-benzoxazin-3(4H)-one","","- C16 H15 N O2 -","- C16 H15 N O2 -","- C128 H120 N8 O16 -","8","1","","Enguang Feng; He Huang; Yu Zhou; Deju Ye; Hualiang Jiang; Hong Liu","Copper(I)-Catalyzed One-Pot Synthesis of 2H-1,4-Benzoxazin-3-(4H)-ones fromo-Halophenols and 2-Chloroacetamides","Journal of Organic Chemistry","2009","74","","2846","2849","10.1021/jo802818s","","","0.71073","MoKα","","0.0854","0.0532","","","0.1305","0.1441","","","","","","0.923","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024442","4.7002","0.0008","8.2106","0.0013","45.378","0.008","90","","90","","90","","1751.2","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H16 Br F O2 -","- C20 H16 Br F O2 -","- C80 H64 Br4 F4 O8 -","4","1","","Laijun Zhang; Wei Zhang; Jun Liu; Jinbo Hu","C-F Bond Cleavage by Intramolecular SN2 Reaction of Alkyl Fluorides with O- and N-Nucleophiles","Journal of Organic Chemistry","2009","74","","2850","2853","10.1021/jo802819p","","","0.71073","MoKα","","0.1561","0.0468","","","0.0667","0.0985","","","","","","1.003","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024443","12.651","0.003","5.5009","0.0011","19.408","0.004","90","","92.321","0.016","90","","1349.6","0.5","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C12 H17 N O5 S -","- C12 H17 N O5 S -","- C48 H68 N4 O20 S4 -","4","1","","Appu Aravind; Muthukumar Gomathi Sankar; Babu Varghese; Sundarababu Baskaran","Regioselective Reductive Cleavage of Bis-benzylidene Acetal: Stereoselective Synthesis of Anticancer Agent OGT2378 and Glycosidase Inhibitor 1,4-Dideoxy-1,4-imino-l-xylitol","Journal of Organic Chemistry","2009","74","","2858","2861","10.1021/jo900030p","","","0.71073","MoKα","","0.0701","0.0572","","","0.1517","0.1704","","","","","","1.183","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024444","9.9862","0.0005","10.0925","0.0005","17.6731","0.001","103.933","0.002","91.236","0.002","92.306","0.002","1726.49","0.16","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H26 N2 O3 S -","- C16 H26 N2 O3 S -","- C64 H104 N8 O12 S4 -","4","2","","Gwendolyn A. Marriner; Sean M. Kerwin","An Improved Synthesis of (\±)-N'-Nitrosonornicotine 5'-Acetate","Journal of Organic Chemistry","2009","74","","2891","2892","10.1021/jo9000417","","","0.71069","MoKα","","0.101","0.0487","","","0.104","0.1257","","","","","","1.007","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024445","11.8033","0.0019","11.8091","0.0015","12.196","0.003","95.133","0.01","99.094","0.016","92.299","0.007","1669.3","0.5","293.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C18 H26 N2 -","- C18 H26 N2 -","- C72 H104 N8 -","4","2","","Adeeb Al-Sheikh Ali; Judy Cipot-Wechsler; T. Stanley Cameron; Alison Thompson","Formation of Vinylic Dipyrroles by the Deprotonation of meso-Alkyl and meso-Benzyl Dipyrrin HCl Salts","Journal of Organic Chemistry","2009","74","","2866","2869","10.1021/jo900064y","","","0.7107","MoKα","","","0.0597","","","","0.0609","","","","","","1.153","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024446","7.7822","0.0016","24.463","0.005","24.531","0.005","62.524","0.003","81.547","0.003","86.098","0.003","4098.4","1.5","150","2","150","2","","","","","","","synthesis as described","7","P -1","-P 1","2","","","","- C70.85 H66.7 Br6 Cl3.7 N9 O21 S6 -","- C70.851 H66.702 Br6 Cl3.702 N9 O21 S6 -","- C141.702 H133.404 Br12 Cl7.404 N18 O42 S12 -","2","1","","Nicolas Proust; Judith C. Gallucci; Leo A. Paquette","Effect of Sulfonyl Protecting Groups on the Neighboring Group Participation Ability of Sulfonamido Nitrogen","Journal of Organic Chemistry","2009","74","","2897","2900","10.1021/jo900065q","","x-ray","0.7749","synchrotron","","0.1244","0.0683","","","0.1594","0.1832","","","","","","1.029","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024447","10.75","0.002","13.323","0.003","13.796","0.003","90","","101.06","0.03","90","","1939.1","0.7","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H18 Cl N O -","- C24 H18 Cl N O -","- C96 H72 Cl4 N4 O4 -","4","1","","Jie-Ping Wan; Shi-Feng Gan; Gong-Lei Sun; Yuan-Jiang Pan","Novel Regioselectivity: Three-Component Cascade Synthesis of Unsymmetrical 1,4- and 1,2-Dihydropyridines","Journal of Organic Chemistry","2009","74","","2862","2865","10.1021/jo900068z","","","0.71073","MoKα","","0.088","0.0571","","","0.1542","0.2177","","","","","","1.174","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024448","10.419","0.004","11.019","0.005","11.262","0.005","90","","90","","90","","1293","1","240","2","240","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4,5,5-Tetramethyl-2-(1-oxidopyridin-2-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.0307","0.029","","","0.076","0.0772","","","","","","1.119","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024449","6.3148","0.0012","19.953","0.004","10.259","0.002","90","","93.738","0.003","90","","1289.8","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4,4,5,5-Tetramethyl-2-(1-oxidopyridin-2-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C12 H16 N3 O3 -","- C12 H16 N3 O3 -","- C48 H64 N12 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.0848","0.0682","","","0.1813","0.1891","","","","","","1.104","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024450","7.874","0.005","18.647","0.013","10.976","0.008","90","","91.425","0.012","90","","1611.1","1.9","240","2","240","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-2-(6-(pyridin-2-yl)-1- oxidopyridin-2-yl)-4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C17 H19 N4 O3 -","- C17 H19 N4 O3 -","- C68 H76 N16 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1046","0.0595","","","0.1269","0.1443","","","","","","1.021","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024451","10.644","0.002","14.876","0.003","15.388","0.003","90","","90","","90","","2436.7","0.8","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4,4,5,5-Tetramethyl-2-(6-(pyridin-2-yl)-1-oxidopyridin-2-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C11 H15 N4 O3 -","- C11 H15 N4 O3 -","- C88 H120 N32 O24 -","8","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1024","0.0668","","","0.1989","0.2185","","","","","","1.024","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024452","10.323","0.004","11.378","0.005","17.494","0.007","90","","90","","90","","2054.9","1.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4,4,5,5-Tetramethyl-2-(4-oxido-3,6-diphenyl -1,2,4-triazin-5-yl)-4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C22 H22 N5 O3 -","- C22 H22 N5 O3 -","- C88 H88 N20 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1693","0.0655","","","0.1192","0.1432","","","","","","0.85","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024453","12.243","0.005","11.512","0.004","11.624","0.004","90","","110.187","0.007","90","","1537.7","1","218","2","218","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","4,4,5,5-Tetramethyl-2-(2-oxidoisoquinolin -1-yl)-4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C16 H18 N3 O3 -","- C16 H18 N3 O3 -","- C64 H72 N12 O12 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1278","0.086","","","0.1869","0.2089","","","","","","1.066","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024454","22.275","0.004","11.815","0.002","22.584","0.004","90","","90.47","0.003","90","","5943.6","1.8","218","2","218","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","4,4,5,5-Tetramethyl-2-(2-oxidophthalazin-1-yl)- 4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C15 H17 N4 O3 -","- C15 H17 N4 O3 -","- C240 H272 N64 O48 -","16","2","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.0913","0.0614","","","0.1351","0.1512","","","","","","0.988","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024455","10.803","0.004","11.128","0.005","14.44","0.006","68.789","0.007","68.106","0.006","67.542","0.006","1439","1.1","218","2","218","2","","","","","","","","4","P -1","-P 1","2","","4,4,5,5-Tetramethyl-2-(1-oxidoquinoxalin-2-yl) -4,5-dihydro-1H-imidazole 3-Oxide 1-Oxyl","","- C15 H17 N4 O3 -","- C15 H17 N4 O3 -","- C60 H68 N16 O12 -","4","2","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.1123","0.0787","","","0.202","0.2221","","","","","","1.026","","","","has coordinates","211413","2020-10-21","18:00:00",""
"4024456","7.3405","0.0009","17.496","0.002","17.596","0.002","90","","95.388","0.002","90","","2249.8","0.5","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2,3-Bis(4,4,5,5-tetramethyl-3-oxid-1-oxyl-4,5 -dihydro-1H-imidazol-2-yl)quinoxaline 1,4-dioxide","","- C22 H28 N6 O6 -","- C22 H28 N6 O6 -","- C88 H112 N24 O24 -","4","1","","Oleg N. Chupakhin; Irina A. Utepova; Mikhail V. Varaksin; Evgeny V. Tretyakov; Galina V. Romanenko; Dmitry V. Stass; Victor I. Ovcharenko","SNH Approach in the Synthesis of Nitronyl Nitroxides","Journal of Organic Chemistry","2009","74","","2870","2872","10.1021/jo900085s","","","0.71073","MoKα","","0.0876","0.0549","","","0.1167","0.1284","","","","","","0.999","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024457","6.5451","0.0001","16.7464","0.0001","16.8568","0.0001","90","","90","","90","","1847.62","0.03","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C96 H84 N4 O8 -","4","1","","Syed Masood Husain; Roland Fröhlich; Dirk Schepmann; Bernhard Wünsch","Asymmetric Synthesis of Enantiomerically Pure 2-Substituted Tetrahydro-3-benzazepines and Their Affinity to σ1 Receptors","Journal of Organic Chemistry","2009","74","","2788","2793","10.1021/jo900087e","","","1.54178","CuKα","","0.034","0.0331","","","0.0832","0.0838","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024458","10.7594","0.0003","24.0248","0.0007","11.8032","0.0004","90","","110.127","0.001","90","","2864.72","0.15","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H21 N O2 -","- C24 H21 N O2 -","- C144 H126 N6 O12 -","6","3","","Syed Masood Husain; Roland Fröhlich; Dirk Schepmann; Bernhard Wünsch","Asymmetric Synthesis of Enantiomerically Pure 2-Substituted Tetrahydro-3-benzazepines and Their Affinity to σ1 Receptors","Journal of Organic Chemistry","2009","74","","2788","2793","10.1021/jo900087e","","","1.54178","CuKα","","0.0375","0.0344","","","0.0771","0.0792","","","","","","1.067","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024459","7.3675","0.0001","32.5836","0.0006","7.5882","0.0001","90","","101.619","0.001","90","","1784.29","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H22 O3 S -","- C21 H22 O3 S -","- C84 H88 O12 S4 -","4","2","","Estíbaliz Merino; Rosanne P. A. Melo; Montserrat Ortega-Guerra; María Ribagorda; M. Carmen Carreño","Stereocontrolled Approach to Phenyl Cyclitols from (SR)-[(p-Tolylsulfinyl)methyl]-p-quinol","Journal of Organic Chemistry","2009","74","","2824","2831","10.1021/jo900109p","","","1.54178","CuKα","","0.0804","0.0743","","","0.187","0.1941","","","","","","1.025","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024460","9.7463","0.0002","9.6804","0.0002","19.1212","0.0004","90","","92.56","0.001","90","","1802.25","0.06","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O4 S -","- C20 H22 O4 S -","- C80 H88 O16 S4 -","4","2","","Estíbaliz Merino; Rosanne P. A. Melo; Montserrat Ortega-Guerra; María Ribagorda; M. Carmen Carreño","Stereocontrolled Approach to Phenyl Cyclitols from (SR)-[(p-Tolylsulfinyl)methyl]-p-quinol","Journal of Organic Chemistry","2009","74","","2824","2831","10.1021/jo900109p","","","1.54178","CuKα","","0.0544","0.0484","","","0.1164","0.123","","","","","","1.04","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024461","6.2233","0.0002","7.3164","0.0002","13.5519","0.0004","77.0301","0.0011","76.9064","0.001","81.554","0.0013","582.67","0.03","100","2","100","2","","","","","","","synthesis as described","4","P -1","-P 1","2","Compound ec616","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C22 H30 N2 O10 -","2","1","","Elise Claveau; Isabelle Gillaizeau; Justyna Kalinowska-Tluscik; Pascal Bouyssou; Gérard Coudert","Nucleophilic Addition onto Methyl-4H-1,4-oxazine-3-carboxylate Moiety: Short Access to 1,4-Diazine Privileged Substructures","Journal of Organic Chemistry","2009","74","","2911","2914","10.1021/jo900291f","","","0.7107","MoKα","","0.0635","0.043","","","0.0964","0.1073","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024462","14.2955","0.0004","8.3964","0.0002","16.824","0.0005","90","","105.47","0.0012","90","","1946.24","0.09","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","Compound ec546","","","- C18 H26 N2 O6 -","- C18 H26 N2 O6 -","- C72 H104 N8 O24 -","4","1","","Elise Claveau; Isabelle Gillaizeau; Justyna Kalinowska-Tluscik; Pascal Bouyssou; Gérard Coudert","Nucleophilic Addition onto Methyl-4H-1,4-oxazine-3-carboxylate Moiety: Short Access to 1,4-Diazine Privileged Substructures","Journal of Organic Chemistry","2009","74","","2911","2914","10.1021/jo900291f","","","0.7107","MoKα","","0.11","0.0637","","","0.139","0.1605","","","","","","1.065","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024463","10.16","0.006","23.332","0.014","10.763","0.006","90","","110.534","0.009","90","","2390","2","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C31 H28 O4 -","- C31 H28 O4 -","- C124 H112 O16 -","4","1","","Zhi-Hui Ren; Zheng-Hui Guan; Yong-Min Liang","Highly Regioselective Synthesis of Benz[a]anthracene Derivatives via a Pd-Catalyzed Tandem C-H Activation/Biscyclization Reaction","Journal of Organic Chemistry","2009","74","","3145","3147","10.1021/jo802712n","","","0.71073","MoKα","","0.0704","0.0475","","","0.1392","0.1582","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024464","6.3537","0.0014","14.909","0.003","20.965","0.005","90","","95.358","0.004","90","","1977.2","0.8","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 N O3 Si -","- C21 H23 N O3 Si -","- C84 H92 N4 O12 Si4 -","4","1","","Ying-ming Pan; Fei-jian Zheng; Hai-xin Lin; Zhuang-ping Zhan","Brønsted Acid-Catalyzed Propargylation/Cycloisomerization Tandem Reaction: One-Pot Synthesis of Substituted Oxazoles from Propargylic Alcohols and Amides","Journal of Organic Chemistry","2009","74","","3148","3151","10.1021/jo8027533","","","0.71073","MoKα","","0.0838","0.0709","","","0.1757","0.1739","","","","","","1.201","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024465","13.0005","0.0003","4.73152","0.00011","17.4577","0.0004","90","","90.5905","0.0015","90","","1073.8","0.04","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N2 O3 -","- C26 H28 N2 O3 -","- C52 H56 N4 O6 -","2","1","","Yasufumi Kawamura; Yasuhiro Kawano; Tomohiro Matsuda; Yûta Ishitobi; Takahiro Hosokawa","Palladium(II)-Catalyzed Asymmetric Coupling of Allylic Alcohols and Vinyl Ethers: Insight into the Palladium and Copper Bimetallic Catalyst","Journal of Organic Chemistry","2009","74","","3048","3053","10.1021/jo802807w","","","1.54187","CuKα","","","0.0785","","","","0.2294","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024466","8.5863","0.0003","8.6729","0.0003","15.5859","0.0007","87.141","0.002","79.041","0.002","66.122","0.002","1041.48","0.07","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 O -","- C29 H22 O -","- C58 H44 O2 -","2","1","","Jan Storch; Jan Sýkora; Jan Čermák; Jindřich Karban; Ivana Císařová; Aleš Růžička","Synthesis of Hexahelicene and 1-Methoxyhexahelicene via Cycloisomerization of Biphenylyl-Naphthalene Derivatives","Journal of Organic Chemistry","2009","74","","3090","3093","10.1021/jo900077j","","","0.71073","MoKα","","0.0499","0.0393","","0.0498","0.0424","0.0424","","","","","","1.1442","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024467","9.5675","0.0003","11.4646","0.0003","11.6322","0.0003","62.554","0.0001","81.627","0.0001","70.11","0.002","1064.66","0.05","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C29 H22 O -","- C29 H22 O -","- C58 H44 O2 -","2","1","","Jan Storch; Jan Sýkora; Jan Čermák; Jindřich Karban; Ivana Císařová; Aleš Růžička","Synthesis of Hexahelicene and 1-Methoxyhexahelicene via Cycloisomerization of Biphenylyl-Naphthalene Derivatives","Journal of Organic Chemistry","2009","74","","3090","3093","10.1021/jo900077j","","","0.71073","MoKα","","0.0557","0.0403","","0.055","0.045","0.045","","","","","","1.1353","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024468","15.123","0.0004","18.362","0.002","7.322","0.0014","90","","100.412","0.006","90","","1999.8","0.4","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H22 O -","- C29 H22 O -","- C116 H88 O4 -","4","1","","Jan Storch; Jan Sýkora; Jan Čermák; Jindřich Karban; Ivana Císařová; Aleš Růžička","Synthesis of Hexahelicene and 1-Methoxyhexahelicene via Cycloisomerization of Biphenylyl-Naphthalene Derivatives","Journal of Organic Chemistry","2009","74","","3090","3093","10.1021/jo900077j","","","0.71073","MoKα","","0.1441","0.0707","","0.0894","0.0605","0.0605","","","","","","1.1709","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024469","6.4933","0.0013","13.379","0.003","15.515","0.003","104.22","0.03","100.83","0.03","96.08","0.03","1266.8","0.5","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H23 N O -","- C13 H23 N O -","- C52 H92 N4 O4 -","4","2","","Sylvaine Cren; Pascal Schär; Philippe Renaud; Kurt Schenk","Diastereoselectivity Control of the Radical Carboazidation of Substituted Methylenecyclohexanes","Journal of Organic Chemistry","2009","74","","2942","2946","10.1021/jo900088x","","","0.71073","MoKα","","0.0802","0.0542","","","0.1332","0.1519","","","","","","1.042","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024470","6.7541","0.0012","9.6011","0.0017","11.854","0.002","99.079","0.015","103.83","0.014","94.188","0.014","732.1","0.2","292","2","292","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H27 N O -","- C15 H27 N O -","- C30 H54 N2 O2 -","2","1","","Sylvaine Cren; Pascal Schär; Philippe Renaud; Kurt Schenk","Diastereoselectivity Control of the Radical Carboazidation of Substituted Methylenecyclohexanes","Journal of Organic Chemistry","2009","74","","2942","2946","10.1021/jo900088x","","","0.71073","MoKα","","0.0734","0.0588","","","0.1516","0.1684","","","","","","1.056","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024471","26.787","0.003","6.7761","0.0004","29.664","0.003","90","","108.47","0.008","90","","5107","0.9","292","2","292","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H41 N O4 Si -","- C22 H41 N O4 Si -","- C176 H328 N8 O32 Si8 -","8","1","","Sylvaine Cren; Pascal Schär; Philippe Renaud; Kurt Schenk","Diastereoselectivity Control of the Radical Carboazidation of Substituted Methylenecyclohexanes","Journal of Organic Chemistry","2009","74","","2942","2946","10.1021/jo900088x","","","0.71073","MoKα","","0.0839","0.0602","","","0.1598","0.1753","","","","","","1.065","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024472","8.1614","0.0005","12.3551","0.0007","17.731","0.0011","90","","90","","90","","1787.9","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0368","0.0312","","","0.0741","0.0773","","","","","","1.033","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024473","27.856","0.003","6.5846","0.0007","10.3007","0.0011","90","","104.099","0.002","90","","1832.4","0.3","173","2","173","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H23 N O2 S -","- C20 H23 N O2 S -","- C80 H92 N4 O8 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0535","0.0474","","","0.1181","0.1222","","","","","","1.052","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024474","14.1895","0.0004","14.1895","0.0004","9.755","0.0006","90","","90","","90","","1964.09","0.14","173","2","173","2","","","","","","","","6","P 41","P 4w","76","","","","- C22 H18 Cl N O2 S -","- C22 H18 Cl N O2 S -","- C88 H72 Cl4 N4 O8 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0447","0.0361","","","0.0825","0.0868","","","","","","1.033","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024475","7.4625","0.0008","12.4146","0.0014","20.858","0.002","90","","90","","90","","1932.3","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 N O3 S -","- C23 H21 N O3 S -","- C92 H84 N4 O12 S4 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.0299","0.0278","","","0.0727","0.0743","","","","","","1.047","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024476","8.9218","0.0005","12.0276","0.0007","17.7965","0.001","90","","90","","90","","1909.7","0.19","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H19 N O3 S2 -","- C21 H19 N O3 S2 -","- C84 H76 N4 O12 S8 -","4","1","","Michael Harmata; Kanok-on Rayanil; Vinson R. Espejo; Charles L. Barnes","Benzothiazines in Synthesis. Further Studies of the Intramolecular, Stereoselective Addition of Sulfonimidoyl Carbanions to α,β-Unsaturated Functional Groups","Journal of Organic Chemistry","2009","74","","3214","3216","10.1021/jo900151d","","","0.71073","MoKα","","0.037","0.0322","","","0.0697","0.0713","","","","","","1.081","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024477","9.6685","0.0019","20.336","0.004","23.189","0.005","90","","90","","90","","4559.4","1.6","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","gt444.2","","","- C21 H31 F3 N2 O3 -","- C21 H31 F3 N2 O3 -","- C168 H248 F24 N16 O24 -","8","2","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.0492","0.0345","","","0.0733","0.0789","","","","","","1.079","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024478","9.5958","0.0019","12.452","0.003","15.882","0.003","90.36","0.03","92.27","0.03","98.29","0.03","1876.2","0.7","150","2","150","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H25 F3 N2 O4 -","- C15 H25 F3 N2 O4 -","- C60 H100 F12 N8 O16 -","4","4","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.1541","0.0648","","","0.11","0.1325","","","","","","1.012","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024479","10.503","0.002","9.1652","0.0018","10.804","0.002","90","","92.64","0.03","90","","1038.9","0.6","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","gt363c","","","- C16 H28 F3 N3 O4 -","- C16 H28 F3 N3 O4 -","- C32 H56 F6 N6 O8 -","2","1","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.0686","0.0383","","","0.0702","0.0781","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024480","10.504","0.002","9.4224","0.0019","11.523","0.002","90","","110.52","0.03","90","","1068.1","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","gt319a","","","- C17 H24 F6 N2 O4 -","- C17 H24 F6 N2 O4 -","- C34 H48 F12 N4 O8 -","2","1","","Santos Fustero; Gema Chiva; Julio Piera; Juan F. Sanz-Cervera; Alessandro Volonterio; Matteo Zanda; Carmen Ramírez de Arellano","New Fluorinated Peptidomimetics through Tandem Aza-Michael Addition to α-Trifluoromethyl Acrylamide Acceptors: Synthesis and Conformational Study in Solid State and Solution","Journal of Organic Chemistry","2009","74","","3122","3132","10.1021/jo9001867","","","0.71073","MoKα","","0.1432","0.0813","","","0.2143","0.2623","","","","","","1.029","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024481","10.1199","0.0011","12.8822","0.0014","13.9569","0.0015","102.044","0.002","108.516","0.002","99.249","0.002","1636","0.3","233","2","233","2","","","","","","","","3","P -1","-P 1","2","","","","- C40 H42 N4 -","- C40 H42 N4 -","- C80 H84 N8 -","2","1","","Ho-Jin Son; Won-Sik Han; Dae-Hwan Yoo; Kyoung-Tae Min; Soon-Nam Kwon; Jaejung Ko; Sang Ook Kang","Fluorescence Control on Panchromatic Spectra via C-Alkylation on Arylated Quinoxalines","Journal of Organic Chemistry","2009","74","","3175","3178","10.1021/jo9002147","","","0.71073","MoKα","","0.121","0.0558","","","0.1327","0.1673","","","","","","1.014","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024482","10.9199","0.0001","13.5197","0.0002","40.234","0.0005","90","","90","","90","","5939.9","0.13","296","2","296","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C28 H26 Cl N O5 S2 -","- C60 H62 Cl2 N2 O11 S4 -","- C240 H248 Cl8 N8 O44 S16 -","4","0.5","","Yuhui Ma; Mang Wang; Dan Li; Bahargul Bekturhun; Jun Liu; Qun Liu","α-Alkenoyl Ketene S,S-Acetal-Based Multicomponent Reaction: An Efficient Approach for the Selective Construction of Polyfunctionalized Cyclohexanones","Journal of Organic Chemistry","2009","74","","3116","3121","10.1021/jo900217g","","","0.71073","MoKα","","0.055","0.0488","","","0.1424","0.1475","","","","","","1.095","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024483","7.104","0.0003","10.693","0.0005","11.443","0.0004","88.492","0.002","78.42","0.003","76.727","0.002","828.63","0.06","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H23 N O8 -","- C15 H23 N O8 -","- C30 H46 N2 O16 -","2","1","","Vincent Chagnault; Philippe Compain; Krzysztof Lewinski; Kyoko Ikeda; Naoki Asano; Olivier R. Martin","Stereodivergent Access to Polyhydroxylated 10-Azabicyclo[4.3.1]decanes as New Calystegine Analogues","Journal of Organic Chemistry","2009","74","","3179","3182","10.1021/jo900235d","","","0.71073","MoKα","","0.0719","0.0441","","","0.0921","0.1022","","","","","","1.029","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024484","22.748","0.0002","9.4207","0.0001","28.2634","0.0004","90","","96.7081","0.0005","90","","6015.44","0.12","150","1","150","1","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C55 H80 I2 O4 P4 Pt2 -","- C55 H80 I2 O4 P4 Pt2 -","- C220 H320 I8 O16 P16 Pt8 -","4","1","","Hai-Bo Yang; Brian H. Northrop; Yao-Rong Zheng; Koushik Ghosh; Matthew M. Lyndon; David C. Muddiman; Peter J. Stang","Synthesis of Six-Component Metallodendrimers via [3 + 3] Coordination-Driven Self-Assembly","Journal of Organic Chemistry","2009","74","","3524","3527","10.1021/jo900067v","","","0.71073","MoKα","","0.0673","0.0398","","","0.0818","0.0908","","","","","","1.023","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024485","6.059","0.012","8.79","0.02","19.21","0.04","84.05","0.05","89.73","0.07","78.43","0.04","996","4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C46 H42 N2 O6 -","2","1","","Jialiang Wang; Wen Huang; Zhengxing Zhang; Xu Xiang; Ruiting Liu; Xigeng Zhou","FeCl3.6H2O Catalyzed Disproportionation of Allylic Alcohols and Selective Allylic Reduction of Allylic Alcohols and Their Derivatives with Benzyl Alcohol","Journal of Organic Chemistry","2009","74","","3299","3304","10.1021/jo900070q","","","0.71073","MoKα","","0.2239","0.0635","","","0.1017","0.1101","","","","","","1.037","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024486","15.221","0.0018","14.4204","0.0017","5.9497","0.0007","90","","101.27","","90","","1280.7","0.3","278","2","278","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 -","- C17 H18 -","- C68 H72 -","4","1","","Jialiang Wang; Wen Huang; Zhengxing Zhang; Xu Xiang; Ruiting Liu; Xigeng Zhou","FeCl3.6H2O Catalyzed Disproportionation of Allylic Alcohols and Selective Allylic Reduction of Allylic Alcohols and Their Derivatives with Benzyl Alcohol","Journal of Organic Chemistry","2009","74","","3299","3304","10.1021/jo900070q","","","0.71073","MoKα","","0.0688","0.0649","","","0.1701","0.1737","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024487","7.957","0.004","24.8","0.03","10.408","0.014","90","","106.44","0.08","90","","1970","4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N5 O6 -","- C22 H15 N5 O6 -","- C88 H60 N20 O24 -","4","1","","Pedro Rodriguez-Dafonte; François Terrier; Sami Lakhdar; Sergei Kurbatov; Régis Goumont","Carbon Nucleophilicities of Indoles in SNAr Substitutions of Superelectrophilic 7-Chloro-4,6-dinitrobenzofuroxan and -benzofurazan","Journal of Organic Chemistry","2009","74","","3305","3315","10.1021/jo900076r","","","0.71073","MoKα","","0.1336","0.056","","","0.1163","0.1432","","","","","","0.996","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024488","18.9125","0.0003","14.3843","0.0002","20.3313","0.0004","90","","108.279","0.0006","90","","5251.89","0.15","200","","200","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C77 H36 O10 S2 -","- C77 H36 O10 S2 -","- C308 H144 O40 S8 -","4","1","","Jiayao Yao; Dazhi Yang; Zuo Xiao; Liangbing Gan; Zheming Wang","Synthesis of Fullerene Oxides Containing Both 6,6-Closed Epoxide and 5,6-Open Ether Moieties through Thermolysis of Fullerene Peroxides","Journal of Organic Chemistry","2009","74","","3528","3531","10.1021/jo9000977","","","0.71073","MoKα","","0.1451","0.0586","","","0.1429","0.1715","","","","","","0.951","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024489","13.915","0.0002","25.7935","0.0004","22.4441","0.0004","90","","117.056","0.001","90","","7174","0.2","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C79 H49 Cl9 D3 N O16 -","- C79 H39 Cl9 N O16 -","- C316 H156 Cl36 N4 O64 -","4","1","","Jiayao Yao; Dazhi Yang; Zuo Xiao; Liangbing Gan; Zheming Wang","Synthesis of Fullerene Oxides Containing Both 6,6-Closed Epoxide and 5,6-Open Ether Moieties through Thermolysis of Fullerene Peroxides","Journal of Organic Chemistry","2009","74","","3528","3531","10.1021/jo9000977","","","0.71073","MoKα","","0.1854","0.1066","","0.3733","0.3136","","","","1.062","1.265","1.265","","","","","has coordinates,has disorder","198633","2020-10-21","18:00:00",""
"4024490","25.9786","0.0018","16.6372","0.0012","20.7138","0.0014","90","","105.282","0.001","90","","8636.2","1","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","octaisobutyloctamethyltetraphenyl[32]octaphyrin(1.0.1.0.1.0.1.0)","","- C100 H120 N8 -","- C100 H120 N8 -","- C400 H480 N32 -","4","1","","Megumi Mori; Toshifumi Okawa; Noriko Iizuna; Kana Nakayama; Juha M. Lintuluoto; Jun-ichiro Setsune","Dynamic Figure Eight Loop Structure ofmeso-Tetraaryl[32]octaphyrins(1.0.1.0.1.0.1.0)","Journal of Organic Chemistry","2009","74","","3579","3582","10.1021/jo9001189","","","0.71073","MoKα","","0.123","0.0582","","","0.1339","0.164","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024491","11.8175","0.001","8.5654","0.0007","28.864","0.003","90","","101.646","0.001","90","","2861.5","0.4","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H33 N O4 -","- C36 H33 N O4 -","- C144 H132 N4 O16 -","4","1","","Shinsuke Komagawa; Kouhei Takeuchi; Ikuo Sotome; Isao Azumaya; Hyuma Masu; Ryu Yamasaki; Shinichi Saito","Synthesis of Vinylcycloheptadienes by the Nickel-Catalyzed Three-Component [3 + 2 + 2] Cocyclization. Application to the Synthesis of Polycyclic Compounds","Journal of Organic Chemistry","2009","74","","3323","3329","10.1021/jo900189g","","","0.71073","MoKα","","0.0641","0.0469","","","0.1213","0.1324","","","","","","1.08","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024492","8.319","0.003","15.649","0.005","14.325","0.004","90","","93.669","0.003","90","","1861.1","1","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H22 O4 -","- C24 H22 O4 -","- C96 H88 O16 -","4","1","","Shinsuke Komagawa; Kouhei Takeuchi; Ikuo Sotome; Isao Azumaya; Hyuma Masu; Ryu Yamasaki; Shinichi Saito","Synthesis of Vinylcycloheptadienes by the Nickel-Catalyzed Three-Component [3 + 2 + 2] Cocyclization. Application to the Synthesis of Polycyclic Compounds","Journal of Organic Chemistry","2009","74","","3323","3329","10.1021/jo900189g","","","0.71073","MoKα","","0.0603","0.0419","","","0.1197","0.1382","","","","","","0.821","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024493","6.8696","0.0009","15.464","0.002","17.975","0.002","90","","92.963","0.002","90","","1906.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H22 N4 O3 S -","- C19 H22 N4 O3 S -","- C76 H88 N16 O12 S4 -","4","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.1088","0.055","","","0.1444","0.175","","","","","","1.036","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024494","6.6668","0.0008","14.9641","0.0017","15.9727","0.0018","90","","95.186","0.001","90","","1587","0.3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N4 O2 S -","- C15.008 H16.016 N4 O2 S -","- C60.032 H64.064 N16 O8 S4 -","4","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0482","0.0406","","","0.106","0.1122","","","","","","1.101","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024495","6.7152","0.0011","14.552","0.002","17.336","0.003","90","","96.071","0.002","90","","1684.5","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H18 N4 O2 S -","- C16 H18 N4 O2 S -","- C64 H72 N16 O8 S4 -","4","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0534","0.0427","","","0.1154","0.1241","","","","","","1.049","","","","has coordinates,has disorder","178423","2020-10-21","18:00:00",""
"4024496","13.6175","0.0015","15.2656","0.0017","18.229","0.002","90","","109.099","0.002","90","","3580.8","0.7","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N4 O2 S -","- C18 H20 N4 O2 S -","- C144 H160 N32 O16 S8 -","8","2","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.1299","0.0598","","","0.1499","0.1903","","","","","","0.989","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024497","6.5865","0.0007","12.567","0.0013","14.6548","0.0015","66.545","0.001","81.086","0.001","87.74","0.001","1099","0.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H23 F N5 O3 S -","- C20 H23 F N5 O3 S -","- C40 H46 F2 N10 O6 S2 -","2","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0433","0.0405","","","0.118","0.1209","","","","","","1.106","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024498","6.7158","0.001","11.9402","0.0017","13.3729","0.0019","98.031","0.002","95.781","0.002","99.664","0.002","1038.3","0.3","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C17 H17 F N4 O3 S -","- C17 H17 F N4 O3 S -","- C34 H34 F2 N8 O6 S2 -","2","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0479","0.045","","","0.136","0.1394","","","","","","1.091","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024499","9.74","0.005","10.793","0.01","10.943","0.006","103.474","0.008","111.391","0.006","96.195","0.008","1017.7","1.2","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Cl N4 O2 S -","- C20 H17 Cl N4 O2 S -","- C40 H34 Cl2 N8 O4 S2 -","2","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.1638","0.147","","","0.4769","0.486","","","","","","2.091","","","","has coordinates","178423","2020-10-21","18:00:00",""
"4024500","6.0718","0.0007","27.435","0.003","11.4981","0.0014","90","","94.341","0.002","90","","1909.9","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 N4 O2 S -","- C18 H22 N4 O2 S -","- C72 H88 N16 O8 S4 -","4","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0433","0.0363","","","0.089","0.0918","","","","","","1.05","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024501","11.652","0.007","14.169","0.008","20.196","0.012","90","","100.443","0.009","90","","3279","3","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C32 H37 N7 O3 S -","- C32 H37 N7 O3 S -","- C128 H148 N28 O12 S4 -","4","1","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.1799","0.0804","","","0.1934","0.2229","","","","","","1.025","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024502","23.222","0.016","13.94","0.01","21.503","0.015","90","","111.936","0.009","90","","6457","8","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 Cl2 N7 O3 S -","- C30 H31 Cl2 N7 O3 S -","- C240 H248 Cl16 N56 O24 S8 -","8","2","","Jing Sun; Li-Li Zhang; Er-Yan Xia; Chao-Guo Yan","Synthesis of Dihydrothiophenes or Spirocyclic Compounds by Domino Reactions of 1,3-Thiazolidinedione","Journal of Organic Chemistry","2009","74","","3398","3401","10.1021/jo900215a","","","0.71073","MoKα","","0.0766","0.0526","","","0.1547","0.1717","","","","","","1.087","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024503","10.6396","0.0008","10.8859","0.0011","11.1091","0.0012","90","","107.53","0.008","90","","1226.9","0.2","295","2","295","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","1,4-Dimethyl-7-(3-methylbenzyl)-2,3,5,6-tetraoxabicyclo[2.2.1]heptane","","- C13 H16 O4 -","- C13 H16 O4 -","- C52 H64 O16 -","4","1","","Alexander O. Terent'ev; Dmitry A. Borisov; Vladimir V. Chernyshev; Gennady I. Nikishin","Facile and Selective Procedure for the Synthesis of Bridged 1,2,4,5-Tetraoxanes; Strong Acids As Cosolvents and Catalysts for Addition of Hydrogen Peroxide to β-Diketones","Journal of Organic Chemistry","2009","74","","3335","3340","10.1021/jo900226b","","x-ray","1.54184","CuKα","","0.1124","0.0587","","","0.1415","0.1749","","","","","","1.016","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024504","5.5187","0.001","9.6577","0.0015","17.276","0.003","90","","94.944","0.013","90","","917.3","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3-(1,4-Dimethyl-2,3,5,6-tetraoxabicyclo[2.2.1]hept-7-yl)propanenitrile","","- C8 H11 N O4 -","- C8 H11 N O4 -","- C32 H44 N4 O16 -","4","1","","Alexander O. Terent'ev; Dmitry A. Borisov; Vladimir V. Chernyshev; Gennady I. Nikishin","Facile and Selective Procedure for the Synthesis of Bridged 1,2,4,5-Tetraoxanes; Strong Acids As Cosolvents and Catalysts for Addition of Hydrogen Peroxide to β-Diketones","Journal of Organic Chemistry","2009","74","","3335","3340","10.1021/jo900226b","","x-ray","1.54184","CuKα","","0.0953","0.0391","","","0.0763","0.0988","","","","","","0.934","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024505","9.0473","0.0015","7.9725","0.0013","13.064","0.002","90","","96.046","0.003","90","","937","0.3","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H7 N O3 -","- C12 H7 N O3 -","- C48 H28 N4 O12 -","4","1","","Ke-Lai Li; Zong-Bo Du; Can-Cheng Guo; Qing-Yun Chen","Regioselective Syntheses of 2- and 4-Formylpyrido[2,1-b]benzoxazoles","Journal of Organic Chemistry","2009","74","","3286","3292","10.1021/jo900267c","","","0.71073","MoKα","","0.0688","0.0496","","","0.115","0.1243","","","","","","0.934","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024506","11.174","0.0013","24.096","0.003","13.9587","0.0015","90","","91.454","0.002","90","","3757.1","0.7","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C45 H29 Br2 N4 Ni O2.5 -","- C45 H29 Br2 N4 Ni O2.5 -","- C180 H116 Br8 N16 Ni4 O10 -","4","1","","Ke-Lai Li; Zong-Bo Du; Can-Cheng Guo; Qing-Yun Chen","Regioselective Syntheses of 2- and 4-Formylpyrido[2,1-b]benzoxazoles","Journal of Organic Chemistry","2009","74","","3286","3292","10.1021/jo900267c","","","0.71073","MoKα","","0.1298","0.0613","","","0.1409","0.1637","","","","","","0.854","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024507","14.51","0.003","12.862","0.003","13.257","0.003","90","","116.518","0.008","90","","2213.8","0.9","93","2","93","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 Br2 Cl N5 O3 S2 -","- C19 H20.95 Br2 Cl N5 O3 S2 -","- C76 H83.8 Br8 Cl4 N20 O12 S8 -","4","1","","Ken S. Feldman; Matthew D. Fodor","Extending Pummerer Reaction Chemistry: (\±)-Dibromoagelaspongin Synthesis and Related Studies","Journal of Organic Chemistry","2009","74","","3449","3461","10.1021/jo900283g","","","0.71073","MoKα","","0.0668","0.0551","","","0.1333","0.1405","","","","","","1.038","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024508","10.7455","0.0001","18.3338","0.0002","19.2355","0.0002","78.1129","0.0007","86.5602","0.0007","79.1068","0.0006","3640.55","0.06","150","1","150","1","","","","","","","","7","P -1","-P 1","2","","","","- C110 H172 Cl20 N8 O12 P8 Pt4 -","- C110 H172 Cl20 N8 O12 P8 Pt4 -","- C110 H172 Cl20 N8 O12 P8 Pt4 -","1","0.5","","Yao-Rong Zheng; Brian H Northrop; Hai-Bo Yang; Liang Zhao; Peter J. Stang","Geometry Directed Self-Selection in the Coordination-Driven Self-Assembly of Irregular Supramolecular Polygons","Journal of Organic Chemistry","2009","74","","3554","3557","10.1021/jo9002932","","","0.71073","MoKα","","0.0703","0.0481","","","0.1148","0.1268","","","","","","1.033","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024509","15.304","0.0007","12.8609","0.0006","16.9243","0.0008","90","","97.331","0.002","90","","3303.9","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H30 N8 O4 -","- C39 H30 N8 O4 -","- C156 H120 N32 O16 -","4","1","","Mateo Alajarin; Baltasar Bonillo; Marta Marin-Luna; Angel Vidal; Raul-Angel Orenes","[4 + 2] Cycloaddition Reaction of C-Aryl Ketenimines with PTAD as a Synthetic Equivalent of Dinitrogen. Synthesis of Triazolocinnolines and Cinnolines","Journal of Organic Chemistry","2009","74","","3558","3561","10.1021/jo900304a","","","0.71073","MoKα","","0.0941","0.0748","","","0.1376","0.1451","","","","","","1.213","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024510","8.4571","0.0003","9.2494","0.0003","10.8669","0.0004","85.591","0.002","70.701","0.002","68.778","0.001","746.99","0.05","293","2","293","2","","","","","","","","5","P -1","-P 1","2","3-iodo-6-methyl-4-(phenylselenyl)-2H-chromene","3-iodo-6-methyl-4-(phenylselenyl)-2H-chromene","","- C16 H13 I O Se -","- C16 H13 I O Se -","- C32 H26 I2 O2 Se2 -","2","1","","Benhur Godoi; Adriane Sperança; Davi F. Back; Ricardo Brandão; Cristina W. Nogueira; Gilson Zeni","Synthesis of Organochalcogen Propargyl Aryl Ethers and Their Application in the Electrophilic Cyclization Reaction: An Efficient Preparation of 3-Halo-4-Chalcogen-2H-Benzopyrans","Journal of Organic Chemistry","2009","74","","3469","3477","10.1021/jo900307k","","","0.71073","MoKα","","0.0449","0.0284","","","0.0804","0.1003","","","","","","1.161","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024511","14.7856","0.0011","7.6774","0.0006","15.6922","0.0012","90","","112.634","0.002","90","","1644.1","0.2","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O4 -","- C19 H21 N O4 -","- C76 H84 N4 O16 -","4","1","","Chad J. Stearman; Michael Wilson; Albert Padwa","Conjugate Addition-Dipolar Cycloaddition Cascade for the Synthesis of Benzo[a]quinolizine and Indolo[a]quinolizine Scaffolds: Application to the Total Synthesis of (\±)-Yohimbenone","Journal of Organic Chemistry","2009","74","","3491","3499","10.1021/jo9003579","","","0.71073","MoKα","","0.0564","0.0428","","","0.1035","0.1071","","","","","","1.059","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024512","15.99","0.04","13.39","0.017","11.462","0.015","90","","102.28","0.07","90","","2398","7","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","2:1 cot adduct with dibenzoylethene","trans-17,18-dibenzoyl-anti,anti-hexacyclo[8.3.3.2(4,7).0(2,9).0(3,8).0(13,14)] octadeca-5,11,15-triene","","- C32 H28 O2 -","- C32 H28 O2 -","- C128 H112 O8 -","4","1","","Roman A. Valiulin; Donald G. Dressen; Jennifer R. Riggs; Faven M. Habte; Andrei G. Kutateladze","Effect of Intramolecular Paternò-Büchi Reaction on the Thermodynamics and Kinetics of Nearly Degenerate [3,3]-Sigmatropic Shift in Fluxional Polycycles","Journal of Organic Chemistry","2009","74","","3484","3490","10.1021/jo9003822","","","0.71075","MoKα","","0.1367","0.0691","","","0.1495","0.1825","","","","","","1.015","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024513","6.7012","0.0004","10.9484","0.0006","16.1361","0.0009","106.685","0.001","91.706","0.001","91.06","0.002","1133.07","0.11","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 O2 -","- C32 H28 O2 -","- C64 H56 O4 -","2","1","","Roman A. Valiulin; Donald G. Dressen; Jennifer R. Riggs; Faven M. Habte; Andrei G. Kutateladze","Effect of Intramolecular Paternò-Büchi Reaction on the Thermodynamics and Kinetics of Nearly Degenerate [3,3]-Sigmatropic Shift in Fluxional Polycycles","Journal of Organic Chemistry","2009","74","","3484","3490","10.1021/jo9003822","","","0.71075","MoKα","","0.0677","0.0504","","","0.1138","0.1251","","","","","","1.016","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024514","8.6542","0.0012","13.1501","0.0015","18.9821","0.0018","90.359","0.004","98.88","0.006","97.362","0.005","2116","0.4","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C26 H24 O6 -","- C26 H24 O6 -","- C104 H96 O24 -","4","2","","Lin Luo; Gui-Hong Liao; Xiao-Ling Wu; Lei Lei; Chen-Ho Tung; Li-Zhu Wu","γ-Cyclodextrin-Directed Enantioselective Photocyclodimerization of Methyl 3-Methoxyl-2-naphthoate","Journal of Organic Chemistry","2009","74","","3506","3515","10.1021/jo900395v","","","0.7107","MoKα","","0.0909","0.0736","","","0.1489","0.1587","","","","","","1.185","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024515","6.8927","0.0007","9.7044","0.0011","15.8321","0.0018","89.115","0.008","81.221","0.007","72.546","0.007","997.89","0.19","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N3 O2 -","- C24 H21 N3 O2 -","- C48 H42 N6 O4 -","2","1","","Chinmay Chowdhury; Sanjukta Mukherjee; Bimolendu Das; Basudeb Achari","Expedient and Rapid Synthesis of 1,2,3-Triazolo[5,1-c]morpholines through Palladium-Copper Catalysis","Journal of Organic Chemistry","2009","74","","3612","3615","10.1021/jo900428j","","","0.71073","MoKα","","0.061","0.0417","","","0.1083","0.1201","","","","","","1.06","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024516","11.3308","0.0003","7.2577","0.0002","39.1469","0.0009","90","","90","","90","","3219.27","0.14","296","2","296","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","triazolomorpholine","","","- C18 H16 N4 O3 -","- C18 H16 N4 O3 -","- C144 H128 N32 O24 -","8","1","","Chinmay Chowdhury; Sanjukta Mukherjee; Bimolendu Das; Basudeb Achari","Expedient and Rapid Synthesis of 1,2,3-Triazolo[5,1-c]morpholines through Palladium-Copper Catalysis","Journal of Organic Chemistry","2009","74","","3612","3615","10.1021/jo900428j","","","0.71073","MoKα","","0.0608","0.0465","","","0.1491","0.1662","","","","","","1.121","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4024517","12.5969","0.0017","7.898","0.001","14.3767","0.0019","90","","105.711","0.002","90","","1376.9","0.3","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Peng Peng; Bo-Xiao Tang; Shao-Feng Pi; Yun Liang; Jin-Heng Li","Synthesis of (E)-3-(Isobenzofuran-3(1H)-ylidene)indolin-2-ones by the Palladium-Catalyzed Intramolecular C-H Functionalization Process","Journal of Organic Chemistry","2009","74","","3569","3572","10.1021/jo900437p","","","0.71073","MoKα","","0.0703","0.0585","","","0.1362","0.1436","","","","","","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024518","12.3987","0.0019","8.8054","0.0009","15.3697","0.0025","90","","99.279","0.013","90","","1656.1","0.4","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","Diethyl 1-hydroxy-2,5-dimethyl-4,5,6,7-tetrahydro-1H-indol-3-ylphosphonate","","- C14 H24 N O4 P -","- C14 H24 N O4 P -","- C56 H96 N4 O16 P4 -","4","1","","Jesús M. de los Santos; Roberto Ignacio; Domitila Aparicio; Francisco Palacios; José M. Ezpeleta","Reactions of Conjugate Phosphinyl- and Phosphonyl-Nitroso Alkenes with Enamines. Preparation of N-Hydroxypyrrole Derivatives","Journal of Organic Chemistry","2009","74","","3444","3448","10.1021/jo900489j","","","0.71073","MoKα","","0.201","0.0895","","","0.2158","0.2548","","","","","","1.121","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024519","9.8044","0.0008","9.031","0.0005","20.3865","0.0018","90","","103.872","0.006","90","","1752.45","0.22","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-(Diphenylphosphoryl)-4-isopropyl-2-methyl-1H-pyrrol-1-ol","","- C20 H22 N O2 P -","- C20 H22 N O2 P -","- C80 H88 N4 O8 P4 -","4","1","","Jesús M. de los Santos; Roberto Ignacio; Domitila Aparicio; Francisco Palacios; José M. Ezpeleta","Reactions of Conjugate Phosphinyl- and Phosphonyl-Nitroso Alkenes with Enamines. Preparation ofN-Hydroxypyrrole Derivatives","Journal of Organic Chemistry","2009","74","","3444","3448","10.1021/jo900489j","","","0.71073","MoKα","","0.0873","0.041","","","0.0974","0.1176","","","","","","0.612","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024520","10.0878","0.0004","17.7918","0.0007","24.6418","0.001","90","","90","","90","","4422.7","0.3","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C53 H47 N2 O8 -","- C53 H47 N2 O8 -","- C212 H188 N8 O32 -","4","1","","Sharad Gupta; Christian E. Schafmeister","Synthesis of a Carboxylate Functionalized Bis-Amino Acid Monomer","Journal of Organic Chemistry","2009","74","","3652","3658","10.1021/jo802679n","","","0.71073","MoKα","","0.082","0.0659","","","0.1675","0.1758","","","","","","1.394","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024521","10.2395","0.0003","8.8488","0.0002","25.3299","0.0007","90","","90","","90","","2295.07","0.11","298","","","","","","","","","","Synthesis","5","P b c a","-P 2ac 2ab","61","","","","- C12 H11 F2 N O2 -","- C12 H11 F2 N O2 -","- C96 H88 F16 N8 O16 -","8","1","","Teerawut Bootwicha; Duanghathai Panichakul; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Fluoride-Catalyzed Addition of PhSCF2SiMe3 to N-Substituted Cyclic Imides Followed by Radical Cyclization: General Synthetic Strategy of gem-Difluoromethylenated 1-Azabicyclic Compounds","Journal of Organic Chemistry","2009","74","","3798","3805","10.1021/jo802794u","","","0.71073","MoKα","","0.0587","0.0417","","","0.1085","0.1202","","","","","","1.015","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024522","12.053","0.0005","10.2639","0.0003","10.4166","0.0003","90","","112.362","0.002","90","","1191.74","0.07","298","","","","","","","","","","Synthesis","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 F2 N O2 -","- C13 H13 F2 N O2 -","- C52 H52 F8 N4 O8 -","4","1","","Teerawut Bootwicha; Duanghathai Panichakul; Chutima Kuhakarn; Samran Prabpai; Palangpon Kongsaeree; Patoomratana Tuchinda; Vichai Reutrakul; Manat Pohmakotr","Fluoride-Catalyzed Addition of PhSCF2SiMe3 to N-Substituted Cyclic Imides Followed by Radical Cyclization: General Synthetic Strategy of gem-Difluoromethylenated 1-Azabicyclic Compounds","Journal of Organic Chemistry","2009","74","","3798","3805","10.1021/jo802794u","","","0.71073","MoKα","","0.0714","0.0557","","","0.176","0.1886","","","","","","1.366","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024523","7.5972","0.0001","30.8725","0.0006","12.6752","0.0002","90","","103.548","0.001","90","","2890.17","0.08","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 S2 -","- C17 H14 N2 S2 -","- C136 H112 N16 S16 -","8","2","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Thionation of Mesoionics with Isothiocyanates: Evidence Supporting a Four-Step Domino Process and Ruling Out a [2 + 2] Mechanism","Journal of Organic Chemistry","2009","74","","3698","3705","10.1021/jo900028c","","","0.71073","MoKα","","0.1073","0.0508","","","0.1353","0.173","","","","","","0.824","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024524","13.5187","0.0003","7.0193","0.0002","22.355","0.0006","90","","91.322","0.002","90","","2120.74","0.1","120","2","120","2","","","","","","","Pedro Cintas","5","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N3 O2 S -","- C25 H21 N3 O2 S -","- C100 H84 N12 O8 S4 -","4","1","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Thionation of Mesoionics with Isothiocyanates: Evidence Supporting a Four-Step Domino Process and Ruling Out a [2 + 2] Mechanism","Journal of Organic Chemistry","2009","74","","3698","3705","10.1021/jo900028c","","","0.71073","MoKα","","0.0926","0.0529","","","0.1162","0.1344","","","","","","1.025","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024525","8.2629","0.0001","17.7278","0.0004","12.9017","0.0002","90","","93.382","0.001","90","","1886.59","0.06","120","2","120","2","","","","","","","Pedro Cintas","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H19 N3 O2 -","- C24 H19 N3 O2 -","- C96 H76 N12 O8 -","4","1","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Thionation of Mesoionics with Isothiocyanates: Evidence Supporting a Four-Step Domino Process and Ruling Out a [2 + 2] Mechanism","Journal of Organic Chemistry","2009","74","","3698","3705","10.1021/jo900028c","","","0.71073","MoKα","","0.0741","0.0559","","","0.114","0.1238","","","","","","1.091","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024526","19.0217","0.0005","6.1365","0.0001","20.6038","0.0005","90","","106.897","0.003","90","","2301.19","0.1","123","","123","","","","","","","","see text","5","C 1 2 1","C 2y","5","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0463","0.0432","","","0.1151","0.1175","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024527","6.1755","0.0003","12.6779","0.0006","30.4159","0.0011","90","","90","","90","","2381.33","0.18","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.1","0.0708","","","0.1764","0.1928","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024528","10.1417","0.0001","16.2309","0.0002","27.032","0.0004","90","","90","","90","","4449.71","0.1","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H58 Br2 N4 O11 -","- C40 H58 Br2 N4 O11 -","- C160 H232 Br8 N16 O44 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0386","0.0343","","","0.0865","0.0888","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024529","14.5166","0.0001","28.6529","0.0002","15.3841","0.0001","90","","104.305","0.001","90","","6200.5","0.08","123","","123","","","","","","","","see text","5","P 1 21 1","P 2yb","4","","","","- C108 H138 Br6 N12 O24 -","- C54 H69 Br3 N6 O12 -","- C216 H276 Br12 N24 O48 -","4","2","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0601","0.0558","","","0.1457","0.1488","","","","","","1.059","","","","has coordinates","190330","2020-10-21","18:00:00",""
"4024530","19.0053","0.0005","6.12864","0.00016","20.606","0.0007","90","","106.886","0.003","90","","2296.64","0.12","123","","123","","","","","","","","see text","5","C 1 2 1","C 2y","5","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0376","0.0336","","","0.0855","0.0878","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024531","6.18536","0.00006","17.91432","0.00012","21.0806","0.00015","90","","90","","90","","2335.87","0.03","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H31 Br N2 O6 -","- C22 H31 Br N2 O6 -","- C88 H124 Br4 N8 O24 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0311","0.0284","","","0.0699","0.0715","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024532","10.1949","0.0001","16.3634","0.0001","50.9856","0.0004","90","","90","","90","","8505.58","0.12","123","","123","","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H52.5 Br2 N4 O9.5 -","- C78 H105 Br4 N8 O19 -","- C312 H420 Br16 N32 O76 -","4","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0361","0.0343","","","0.0821","0.0831","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024533","10.9445","0.0001","19.3924","0.0001","17.9304","0.0001","90","","104.032","0.001","90","","3692","0.05","123","","123","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C70 H88 Br4 N8 O15 -","- C70 H88 Br4 N8 O15 -","- C140 H176 Br8 N16 O30 -","2","1","","Andreas A. Grauer; Chiara Cabrele; Manfred Zabel; Burkhard König","Stable Right- and Left-Handed Peptide Helices containing Cα-Tetrasubstituted α-Amino Acids","Journal of Organic Chemistry","2009","74","","3718","3726","10.1021/jo900222g","","x-ray","1.54184","CuKα","","0.0327","0.0317","","","0.0803","0.081","","","","","","1.027","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024534","12.5603","0.0011","18.4561","0.0011","12.4825","0.0009","90","","90","","90","","2893.6","0.4","446","2","446","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C28 H44 N4 O2 S2 -","- C28 H44 N4 O2 S2 -","- C112 H176 N16 O8 S8 -","4","1","","Seb Caille; Sheng Cui; Tsang-Lin Hwang; Xiang Wang; Margaret M. Faul","Two Asymmetric Syntheses of AMG 221, an Inhibitor of 11β-Hydroxysteroid Dehydrogenase Type 1","Journal of Organic Chemistry","2009","74","","3833","3842","10.1021/jo900287b","","","0.71073","MoKα","","0.0326","0.0279","","","0.0525","0.0541","","","","","","0.963","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024535","6.3734","0.0002","12.5913","0.0003","26.0483","0.0006","90","","90","","90","","2090.36","0.1","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 N2 O3 -","- C23 H28 N2 O3 -","- C92 H112 N8 O12 -","4","1","","Seb Caille; Sheng Cui; Tsang-Lin Hwang; Xiang Wang; Margaret M. Faul","Two Asymmetric Syntheses of AMG 221, an Inhibitor of 11β-Hydroxysteroid Dehydrogenase Type 1","Journal of Organic Chemistry","2009","74","","3833","3842","10.1021/jo900287b","","x-ray","0.71073","MoKα","","0.0775","0.0417","","","0.0737","0.0844","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024536","10.138","0.003","6.3932","0.0019","12.128","0.004","90","","113.672","0.004","90","","719.9","0.4","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H23 N O3 -","- C14 H23 N O3 -","- C28 H46 N2 O6 -","2","1","","Seb Caille; Sheng Cui; Tsang-Lin Hwang; Xiang Wang; Margaret M. Faul","Two Asymmetric Syntheses of AMG 221, an Inhibitor of 11β-Hydroxysteroid Dehydrogenase Type 1","Journal of Organic Chemistry","2009","74","","3833","3842","10.1021/jo900287b","","x-ray","0.71073","MoKα","","0.0686","0.0439","","","0.0862","0.0951","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024537","8.3781","0.0011","8.9255","0.0012","16.616","0.002","90","","90","","90","","1242.5","0.3","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C11 H16 O7 -","- C11 H16 O7 -","- C44 H64 O28 -","4","1","","Bin Wang; Xin-Yan Wu; O. Andrea Wong; Brian Nettles; Mei-Xin Zhao; Dajun Chen; Yian Shi","A Diacetate Ketone-Catalyzed Asymmetric Epoxidation of Olefins","Journal of Organic Chemistry","2009","74","","3986","3989","10.1021/jo900330n","","","0.71073","MoKα","","0.053","0.0421","","","0.1207","0.1288","","","","","","1.02","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024538","11.229","0.0003","15.755","0.0004","11.592","0.0004","90","","96.017","0.0009","90","","2039.48","0.1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N3 O3 -","- C22 H27 N3 O3 -","- C88 H108 N12 O12 -","4","1","","Nicolas Toselli; David Martin; Mathieu Achard; Alphonse Tenaglia; Gérard Buono","Highly Regio- and Stereocontrolled Formation of Functionalized Tricyclo[4.2.1.02,8]non-3-enes","Journal of Organic Chemistry","2009","74","","3783","3791","10.1021/jo900344j","","","0.71073","MoKα","","0.074","0.0653","","","0.167","0.1749","","","","","","1.065","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024539","9.582","0.0004","11.49","0.0006","11.534","0.0005","90","","117.668","0.003","90","","1124.65","0.09","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 O2 -","- C15 H12 O2 -","- C60 H48 O8 -","4","1","","Nicolas Toselli; David Martin; Mathieu Achard; Alphonse Tenaglia; Gérard Buono","Highly Regio- and Stereocontrolled Formation of Functionalized Tricyclo[4.2.1.02,8]non-3-enes","Journal of Organic Chemistry","2009","74","","3783","3791","10.1021/jo900344j","","","0.71073","MoKα","","0.0543","0.0503","","","0.1241","0.1264","","","","","","1.158","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024540","11.801","0.002","6.6536","0.0008","13.944","0.003","90","","100.22","0.02","90","","1077.6","0.3","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","(4S,5S,6S)-6-(tert-butyldimethylsilyloxy)-6-((S)-2,2- dimetyhl-1,3-dioxolan-4-yl)- 5-hydroxy-4-methylhexan-3-one","","- C18 H36 O5 Si -","- C18 H36 O5 Si -","- C36 H72 O10 Si2 -","2","1","","Kerstin Rohr; Robert Herre; Rainer Mahrwald","Toward Asymmetric Aldol-Tishchenko Reactions with Enolizable Aldehydes: Access to Defined Configured Stereotriads, Tetrads, and Stereopentads","Journal of Organic Chemistry","2009","74","","3744","3749","10.1021/jo9003635","","","0.71073","MoKα","","0.0293","0.0254","","","0.062","0.0631","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024541","5.0705","0.0008","10.9552","0.0013","21.325","0.004","90","","92.876","0.014","90","","1183.1","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","1-cyclohexyl-2-methylpentane-1.3-diol","","- C12 H24 O2 -","- C12 H24 O2 -","- C48 H96 O8 -","4","1","","Kerstin Rohr; Robert Herre; Rainer Mahrwald","Toward Asymmetric Aldol-Tishchenko Reactions with Enolizable Aldehydes: Access to Defined Configured Stereotriads, Tetrads, and Stereopentads","Journal of Organic Chemistry","2009","74","","3744","3749","10.1021/jo9003635","","","0.71073","MoKα","","0.0564","0.0365","","","0.0815","0.086","","","","","","0.94","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024542","9.4139","0.0011","10.6583","0.0012","10.9899","0.0014","93.836","0.01","111.469","0.009","95.665","0.009","1014.8","0.2","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","1-cyclohexyl-3-hydroxy-2-mthyl-3-phenylpropyl cyclohexanecarboxylate","","- C23 H34 O3 -","- C23 H34 O3 -","- C46 H68 O6 -","2","1","","Kerstin Rohr; Robert Herre; Rainer Mahrwald","Toward Asymmetric Aldol-Tishchenko Reactions with Enolizable Aldehydes: Access to Defined Configured Stereotriads, Tetrads, and Stereopentads","Journal of Organic Chemistry","2009","74","","3744","3749","10.1021/jo9003635","","","0.71073","MoKα","","0.1153","0.0602","","","0.1079","0.123","","","","","","0.95","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024543","9.1248","0.0005","9.1789","0.0005","13.5217","0.0007","78.917","0.003","78.654","0.003","68.433","0.003","1023.68","0.1","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H16 N2 O3 S -","- C23 H16 N2 O3 S -","- C46 H32 N4 O6 S2 -","2","1","","Mark J. Thompson; Harry Adams; Beining Chen","Development of a Diversity-Oriented Approach to Oxazole-5-amide Libraries","Journal of Organic Chemistry","2009","74","","3856","3865","10.1021/jo900425w","","","0.71073","MoKα","","0.0543","0.0445","","","0.1266","0.1329","","","","","","0.988","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024544","10.691","0.004","11.458","0.004","14.371","0.005","90","","90.943","0.005","90","","1760.2","1.1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Mark J. Thompson; Harry Adams; Beining Chen","Development of a Diversity-Oriented Approach to Oxazole-5-amide Libraries","Journal of Organic Chemistry","2009","74","","3856","3865","10.1021/jo900425w","","","0.71073","MoKα","","0.0389","0.0308","","","0.0734","0.0776","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024545","15.3989","0.0013","5.6954","0.0005","21.6927","0.0018","90","","90","","90","","1902.5","0.3","150","2","150","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C21 H19 F3 N2 O2 -","- C21 H19 F3 N2 O2 -","- C84 H76 F12 N8 O8 -","4","1","","Mark J. Thompson; Harry Adams; Beining Chen","Development of a Diversity-Oriented Approach to Oxazole-5-amide Libraries","Journal of Organic Chemistry","2009","74","","3856","3865","10.1021/jo900425w","","","0.71073","MoKα","","0.0354","0.0318","","","0.0738","0.0756","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024546","13.5064","0.0005","10.7007","0.0004","14.0638","0.0005","90","","115.798","0.002","90","","1830.03","0.12","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N3 O -","- C21 H22 N3 O -","- C84 H88 N12 O4 -","4","1","","Mark J. Thompson; Harry Adams; Beining Chen","Development of a Diversity-Oriented Approach to Oxazole-5-amide Libraries","Journal of Organic Chemistry","2009","74","","3856","3865","10.1021/jo900425w","","","0.71073","MoKα","","0.0474","0.0424","","","0.1136","0.1194","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024547","8.5861","0.0003","11.4848","0.0004","16.5942","0.0005","90","","90","","90","","1636.35","0.09","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-2,3-Dihydro-3-iso-propyl-2-(toluene-4-sulfonyl) benzo[d]isothiazole","","- C17 H19 N O2 S2 -","- C17 H19 N O2 S2 -","- C68 H76 N4 O8 S8 -","4","1","","Cédric Spitz; Jean-François Lohier; Jana Sopkova-de Oliveira Santos; Vincent Reboul; Patrick Metzner","Fluoride Ion and Phosphines as Nucleophilic Catalysts: Synthesis of 1,4-Benzothiazepines from Cyclic Sulfenamides","Journal of Organic Chemistry","2009","74","","3936","3939","10.1021/jo900449a","","","0.71073","MoKα","","0.0219","0.0212","","","0.0607","0.0612","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024548","10.8068","0.0003","11.127","0.0003","14.8373","0.0004","90","","90","","90","","1784.14","0.08","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H17 N O2 S2 -","- C20 H17 N O2 S2 -","- C80 H68 N4 O8 S8 -","4","1","","Cédric Spitz; Jean-François Lohier; Jana Sopkova-de Oliveira Santos; Vincent Reboul; Patrick Metzner","Fluoride Ion and Phosphines as Nucleophilic Catalysts: Synthesis of 1,4-Benzothiazepines from Cyclic Sulfenamides","Journal of Organic Chemistry","2009","74","","3936","3939","10.1021/jo900449a","","","0.71073","MoKα","","0.0315","0.0264","","","0.0708","0.0743","","","","","","1.079","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024549","12.9032","0.0003","15.0674","0.0003","23.2385","0.0004","90","","90","","90","","4517.98","0.16","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(R)-4,5-Dihydro-2,3-dimethyldicarboxylate-4- (toluene-4-sulfonyl)-5-(iso-propyl)-1,4-benzo[f]thiazepine","","- C23 H25 N O6 S2 -","- C23 H25 N O6 S2 -","- C184 H200 N8 O48 S16 -","8","2","","Cédric Spitz; Jean-François Lohier; Jana Sopkova-de Oliveira Santos; Vincent Reboul; Patrick Metzner","Fluoride Ion and Phosphines as Nucleophilic Catalysts: Synthesis of 1,4-Benzothiazepines from Cyclic Sulfenamides","Journal of Organic Chemistry","2009","74","","3936","3939","10.1021/jo900449a","","","0.71073","MoKα","","0.047","0.0354","","","0.0855","0.0918","","","","","","1.043","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024550","11.7089","0.0017","11.4168","0.0017","14.228","0.002","90","","90","","90","","1902","0.5","297","2","297","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H28 N4 O4 -","- C18 H28 N4 O4 -","- C72 H112 N16 O16 -","4","0.5","","Nicoleta Toşa; Attila Bende; Richard Attila Varga; Anamaria Terec; Ioan Bratu; Ion Grosu","H-Bond-Driven Supramolecular Architectures of the Syn and Anti Isomers of the Dioxime of Bicyclo[3.3.1]nonane-3,7-dione","Journal of Organic Chemistry","2009","74","","3944","3947","10.1021/jo900484v","","","0.71073","MoKα","","0.1385","0.1282","","","0.1829","0.1873","","","","","","1.284","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024551","12.7815","0.0015","11.2772","0.0013","20.068","0.002","90","","107.626","0.002","90","","2756.8","0.6","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N2 O2 -","- C9 H14 N2 O2 -","- C108 H168 N24 O24 -","12","3","","Nicoleta Toşa; Attila Bende; Richard Attila Varga; Anamaria Terec; Ioan Bratu; Ion Grosu","H-Bond-Driven Supramolecular Architectures of the Syn and Anti Isomers of the Dioxime of Bicyclo[3.3.1]nonane-3,7-dione","Journal of Organic Chemistry","2009","74","","3944","3947","10.1021/jo900484v","","","0.71073","MoKα","","0.1558","0.1394","","","0.3519","0.3651","","","","","","1.172","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024552","12.7815","0.0015","11.2772","0.0013","20.068","0.002","90","","107.626","0.002","90","","2756.8","0.6","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 N2 O2 -","- C9 H12 N2 O2 -","- C108 H144 N24 O24 -","12","3","","Nicoleta Toşa; Attila Bende; Richard Attila Varga; Anamaria Terec; Ioan Bratu; Ion Grosu","H-Bond-Driven Supramolecular Architectures of the Syn and Anti Isomers of the Dioxime of Bicyclo[3.3.1]nonane-3,7-dione","Journal of Organic Chemistry","2009","74","","3944","3947","10.1021/jo900484v","","","0.71073","MoKα","","0.1869","0.172","","","0.4249","0.434","","","","","","1.735","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024553","10.0832","0.0015","10.59","0.0016","11.4835","0.0017","90","","90","","90","","1226.2","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 O3 S -","- C13 H14 O3 S -","- C52 H56 O12 S4 -","4","1","","David Cruz Cruz; Francisco Yuste; M. Rosario Martín; Amelia Tito; José L. García Ruano","1,3-Dipolar Cycloaddition of Diazoalkanes to (S)-(+)-3-[(4-Methylphenyl)sulfinyl]-5,6-dihydropyran-2-one. Synthesis of Optically Pure Cyclopropanes by Denitrogenation of Sulfinyl and Sulfonyl Pyrazolines","Journal of Organic Chemistry","2009","74","","3820","3826","10.1021/jo900525s","","","0.71073","MoKα","","0.0486","0.0379","","","0.074","0.0774","","","","","","0.917","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024554","6.0768","0.0007","10.4374","0.0013","20.79","0.003","90","","90","","90","","1318.6","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H16 O3 S -","- C14 H16 O3 S -","- C56 H64 O12 S4 -","4","1","","David Cruz Cruz; Francisco Yuste; M. Rosario Martín; Amelia Tito; José L. García Ruano","1,3-Dipolar Cycloaddition of Diazoalkanes to (S)-(+)-3-[(4-Methylphenyl)sulfinyl]-5,6-dihydropyran-2-one. Synthesis of Optically Pure Cyclopropanes by Denitrogenation of Sulfinyl and Sulfonyl Pyrazolines","Journal of Organic Chemistry","2009","74","","3820","3826","10.1021/jo900525s","","","0.71073","MoKα","","0.0306","0.0299","","","0.0755","0.076","","","","","","1.078","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024555","9.5967","0.0017","13.576","0.003","22.201","0.006","90","","90","","90","","2892.5","1.1","93","2","93","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H39 N3 O7 -","- C27 H39 N3 O7 -","- C108 H156 N12 O28 -","4","1","","Andrew D. Abell; Nathan A. Alexander; Steven G. Aitken; Hongyuan Chen; James M. Coxon; Matthew A. Jones; Stephen B. McNabb; Andrew Muscroft-Taylor","Synthesis of Macrocyclic β-Strand Templates by Ring Closing Metathesis","Journal of Organic Chemistry","2009","74","","4354","4356","10.1021/jo802723w","","","0.71073","MoKα","","0.0529","0.0422","","","0.0976","0.1153","","","","","","1.22","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024556","9.563","0.0004","51.1209","0.0018","10.1809","0.0005","90","","100.906","0.002","90","","4887.2","0.4","153","2","153","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H22 B N O3 -","- C18 H22 B N O3 -","- C216 H264 B12 N12 O36 -","12","3","","Byron E. Collins; Steven Sorey; Amanda E. Hargrove; Shagufta H. Shabbir; Vincent M. Lynch; Eric V. Anslyn","Probing Intramolecular B-N Interactions in Ortho-Aminomethyl Arylboronic Acids","Journal of Organic Chemistry","2009","74","","4055","4060","10.1021/jo900187a","","","0.71069","MoKα","","0.1073","0.0558","","","0.1024","0.1215","","","","","","1.01","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024557","10.761","0.004","9.713","0.003","12.308","0.004","90","","103.209","0.005","90","","1252.4","0.7","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C28 H25 N O2 S2 -","- C28 H25 N O2 S2 -","- C56 H50 N2 O4 S4 -","2","1","","Yolanda Arroyo; Ángela Meana; J. Félix Rodríguez; M. Ascensión Sanz-Tejedor; Inés Alonso; José L. García Ruano","Stereoselective Control of Planar α-Dimethylsulfonium Benzyl Carbanions. Synthesis of Optically Pure trans-Aziridines","Journal of Organic Chemistry","2009","74","","4217","4224","10.1021/jo900381b","","","0.71073","MoKα","","0.0332","0.0298","","","0.0775","0.08","","","","","","1.043","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024558","12.37","0.003","11.328","0.002","21.465","0.004","90","","90","","90","","3007.8","1.1","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C136 H208 O32 -","8","1","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.044","0.042","","","0.112","0.115","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024559","10.1757","0.0014","12.1846","0.0015","12.5108","0.0017","90.253","0.007","106.973","0.007","99.206","0.007","1462.4","0.3","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C17 H26 O4 -","- C17 H26 O4 -","- C68 H104 O16 -","4","2","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.107","0.093","","","0.228","0.239","","","","","","1.19","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024560","13.0782","0.0019","11.7364","0.0017","18.817","0.003","90","","90","","90","","2888.3","0.7","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C17 H24 O4 -","- C17 H24 O4 -","- C136 H192 O32 -","8","1","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.045","0.044","","","0.107","0.107","","","","","","1.12","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024561","6.374","0.003","6.41","0.003","16.59","0.004","91.781","0.004","96.664","0.005","118.379","0.011","589.4","0.4","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H20 O4 -","- C14 H20 O4 -","- C28 H40 O8 -","2","1","","Daniel Sejer Pedersen; Tony V. Robinson; Dennis K. Taylor; Edward R. T. Tiekink","A Concise Route to Branched Erythrono-γ-lactones. Synthesis of the Leaf-Closing Substance Potassium (\±)-(2R,3R)-2,3,4-Trihydroxy-2-methylbutanoate","Journal of Organic Chemistry","2009","74","","4400","4403","10.1021/jo900392y","","","0.7107","MoKα","","0.035","0.034","","","0.083","0.084","","","","","","1.09","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024562","31.869","0.005","36.63","0.006","5.7018","0.001","90","","90","","90","","6656","2","293","2","293","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C19 H19 Cl O2 -","- C19 H19 Cl O2 -","- C304 H304 Cl16 O32 -","16","1","","Ruwei Shen; Shugao Zhu; Xian Huang","Unexpected Pd-Catalyzed Coupling, Propargyl-Allenyl Isomerization and Alder-Ene Reaction: Facile Synthesis of Some Not Readily Available 2,3-Dihydrofuran Derivatives","Journal of Organic Chemistry","2009","74","","4118","4123","10.1021/jo900440u","","","0.71073","MoKα","","0.0991","0.0523","","","0.1035","0.1136","","","","","","0.822","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024563","5.8924","0.0004","20.8589","0.0013","13.5893","0.0008","90","","97.309","0.004","90","","1656.68","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 Cl N2 O -","- C17 H23 Cl N2 O -","- C68 H92 Cl4 N8 O4 -","4","1","","Zhao, Baoguo; Du, Haifeng; Shi, Yian","Cu(I)-Catalyzed C‒H α-Amination of Aryl Ketones: Direct Synthesis of Imidazolinones","Journal of organic chemistry","2009","74","11","4411","4413","10.1021/jo9004553","","","0.71073","MoKα","","0.0787","0.0455","","","0.1208","0.144","","","","","","1.037","","","","has coordinates","210091","2020-10-21","18:00:00",""
"4024564","10.3603","0.0005","19.5772","0.0009","18.0785","0.0008","90","","91.33","0.003","90","","3665.8","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H16 N2 O -","- C13 H16 N2 O -","- C156 H192 N24 O12 -","12","3","","Zhao, Baoguo; Du, Haifeng; Shi, Yian","Cu(I)-Catalyzed C‒H α-Amination of Aryl Ketones: Direct Synthesis of Imidazolinones","Journal of organic chemistry","2009","74","11","4411","4413","10.1021/jo9004553","","","0.71073","MoKα","","0.1378","0.0586","","","0.1255","0.1554","","","","","","1","","","","has coordinates","210091","2020-10-21","18:00:00",""
"4024565","5.7387","0.0005","10.1683","0.0007","7.2104","0.0006","90","","106.152","0.005","90","","404.14","0.06","90","0.5","90","0.5","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C6 H12 Cl N O3 -","- C6 H12 Cl N O3 -","- C12 H24 Cl2 N2 O6 -","2","1","","Benson J. Edagwa; Carol M. Taylor","Peptides Containing γ,δ-Dihydroxy-l-leucine","Journal of Organic Chemistry","2009","74","","4132","4136","10.1021/jo900459f","","","1.54178","CuKα","","0.0212","0.021","","","0.0508","0.0509","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024566","7.034","0.001","25.673","0.001","8.066","0.001","90","","90","","90","","1456.6","0.3","293","2","293","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","1-[(3aS,4S,6aR)-2,2-Dimethyl-5-(trifluoroacetyl)tetrahydro-3aH- [1,3]dioxolo[4,5-c]pyrrol-4-yl]cyclopropanecarboxylic Acid","","- C13 H16 F3 N O5 -","- C13 H16 F3 N O5 -","- C52 H64 F12 N4 O20 -","4","1","","Franca M. Cordero; Maria Salvati; Carolina Vurchio; Armin de Meijere; Alberto Brandi","Synthesis of α-Cyclopropyl-β-homoprolines","Journal of Organic Chemistry","2009","74","","4225","4231","10.1021/jo9004684","","x-ray","1.54178","CuKα","","0.0643","0.0392","","","0.0961","0.1233","","","","","","0.893","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024567","23.982","0.004","6.0546","0.0007","12.621","0.002","90","","92.222","0.019","90","","1831.1","0.5","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C68 H96 N8 O24 -","4","1","","N. Deppermann; A. H. G. P. Prenzel; A. Beitat; W. Maison","Synthesis of Proline-Based Diketopiperazine Scaffolds","Journal of Organic Chemistry","2009","74","","4267","4271","10.1021/jo9004876","","","0.71073","MoKα","","0.1146","0.0761","","","0.1554","0.1805","","","","","","0.948","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024568","9.1263","0.0007","11.538","0.001","16.9865","0.0012","90","","90","","90","","1788.7","0.2","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N2 O6 -","- C17 H24 N2 O6 -","- C68 H96 N8 O24 -","4","1","","N. Deppermann; A. H. G. P. Prenzel; A. Beitat; W. Maison","Synthesis of Proline-Based Diketopiperazine Scaffolds","Journal of Organic Chemistry","2009","74","","4267","4271","10.1021/jo9004876","","","0.71073","MoKα","","0.0514","0.038","","","0.0864","0.0918","","","","","","0.987","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024569","7.4474","0.0003","9.3128","0.0004","35.4835","0.0012","90","","90","","90","","2461","0.17","93.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H33 Br O4 Si -","- C25 H33 Br O4 Si -","- C100 H132 Br4 O16 Si4 -","4","1","","Yoshihiro Natori; Hideyuki Tsutsui; Naoki Sato; Seiichi Nakamura; Hisanori Nambu; Motoo Shiro; Shunichi Hashimoto","Asymmetric Synthesis of Neolignans (-)-epi-Conocarpan and (+)-Conocarpan via Rh(II)-Catalyzed C-H Insertion Process and Revision of the Absolute Configuration of (-)-epi-Conocarpan","Journal of Organic Chemistry","2009","74","","4418","4421","10.1021/jo900502d","","","0.71075","MoKα","","","0.0218","","","","0.0503","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024570","10.8315","0.0002","7.99869","0.00014","11.1291","0.0002","90","","101.919","0.001","90","","943.41","0.03","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H26 N4 O3 -","- C19 H26 N4 O3 -","- C38 H52 N8 O6 -","2","1","","Yoshihiro Natori; Hideyuki Tsutsui; Naoki Sato; Seiichi Nakamura; Hisanori Nambu; Motoo Shiro; Shunichi Hashimoto","Asymmetric Synthesis of Neolignans (-)-epi-Conocarpan and (+)-Conocarpan via Rh(II)-Catalyzed C-H Insertion Process and Revision of the Absolute Configuration of (-)-epi-Conocarpan","Journal of Organic Chemistry","2009","74","","4418","4421","10.1021/jo900502d","","","1.54187","CuKα","","","0.0279","","","","0.0798","","","","","","1.101","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024571","14.87","0.005","17.144","0.006","11.875","0.004","90","","113.475","0.005","90","","2776.8","1.7","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C58 H56 Cl4 N4 O13 -","- C58 H56 Cl4 N4 O13 -","- C116 H112 Cl8 N8 O26 -","2","0.5","","Subhadeep Banerjee; Matthias Zeller; Christian Brückner","MTO/H2O2/Pyrazole-Mediated N-Oxidation of meso-Tetraarylporphyrins and -chlorins, and S-Oxidation of a meso-Tetraaryldithiaporphyrin and -chlorin","Journal of Organic Chemistry","2009","74","","4283","4288","10.1021/jo9005443","","","0.71073","MoKα","","0.1903","0.0823","","","0.2237","0.2951","","","","","","1.045","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024572","9.813","0.0011","12.0815","0.0013","13.4125","0.0014","91.168","0.009","105.274","0.009","90.545","0.009","1533.4","0.3","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O11 -","- C31 H36 N2 O11 -","- C62 H72 N4 O22 -","2","1","","Virginie Colombel; Olivier Baudoin","Synthetic Approaches to Amino Analogues of N-Acetylcolchinol","Journal of Organic Chemistry","2009","74","","4329","4335","10.1021/jo900632a","","","1.5418","CuKα","","0.1022","0.0862","","0.095","0.085","0.085","","","","","","0.8889","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024573","17.928","0.004","10.085","0.002","38.581","0.008","90","","92.05","0.03","90","","6971","2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18.88 H18.75 N O6 -","- C18.9955 H19 N O6 -","- C303.928 H304 N16 O96 -","16","4","","Ding Du; Linxia Li; Zhongwen Wang","N-Heterocyclic Carbene-Catalyzed Domino Ring-Opening/Redox Amidation/Cyclization Reactions of Formylcyclopropane 1,1-Diesters: Direct Construction of a 6-5-6 Tricyclic Hydropyrido[1,2-a]indole Skeleton","Journal of Organic Chemistry","2009","74","","4379","4382","10.1021/jo900650h","","","0.71073","MoKα","","0.0853","0.0616","","","0.1514","0.1684","","","","","","1.04","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024574","5.4881","0.0003","8.1373","0.0004","15.7785","0.0007","90","","91.134","0.004","90","","704.5","0.06","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C16 H14 O6 -","- C16 H14 O6 -","- C32 H28 O12 -","2","1","","Robert Cysewski; Marcin Kwit; Beata Warżajtis; Urszula Rychlewska; Jacek Gawroński","Synthesis, Conformation and Chiroptical Properties of Diaryl Esters of Tartaric Acid","Journal of Organic Chemistry","2009","74","","4573","4583","10.1021/jo900206c","","","0.71073","MoKα","","0.0693","0.0498","","","0.1227","0.1375","","","","","","1.144","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024575","5.8352","0.0002","7.9311","0.0003","20.5792","0.0008","100.02","0.003","92.974","0.003","92.513","0.003","935.25","0.06","130","2","130","2","","","","","","","","3","P 1","P 1","1","","","","- C24 H18 O6 -","- C24 H18 O6 -","- C48 H36 O12 -","2","2","","Robert Cysewski; Marcin Kwit; Beata Warżajtis; Urszula Rychlewska; Jacek Gawroński","Synthesis, Conformation and Chiroptical Properties of Diaryl Esters of Tartaric Acid","Journal of Organic Chemistry","2009","74","","4573","4583","10.1021/jo900206c","","","0.71073","MoKα","","0.0397","0.0295","","","0.0625","0.0659","","","","","","0.952","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024576","7.691","0.001","10.311","0.001","17.038","0.001","90","","96.56","0.01","90","","1342.3","0.2","198","2","198","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C10 H19 N2 O5 P -","- C10 H19 N2 O5 P -","- C40 H76 N8 O20 P4 -","4","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","0.71073","MoKα","","0.0917","0.0474","","","0.1057","0.1201","","","","","","1.028","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024577","9.075","0.001","9.616","0.001","10.5","0.001","75.02","0.01","84.11","0.01","61.97","0.01","781.1","0.1","198","2","198","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 F3 N2 O2 -","- C16 H17 F3 N2 O2 -","- C32 H34 F6 N4 O4 -","2","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","0.71073","MoKα","","0.1272","0.0651","","","0.1188","0.1419","","","","","","1.082","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024578","5.9468","0.0001","9.2592","0.0002","15.2291","0.0004","107.113","0.001","91.035","0.001","90.367","0.002","801.24","0.03","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 F3 N2 -","- C19 H15 F3 N2 -","- C38 H30 F6 N4 -","2","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","0.71073","MoKα","","0.0893","0.0545","","","0.1269","0.145","","","","","","1.043","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024579","7.026","0.001","16.043","0.005","26.047","0.004","90","","90","","90","","2936","1.1","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C16 H15 F3 N2 O -","- C16 H15 F3 N2 O -","- C128 H120 F24 N16 O8 -","8","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.12","0.0576","","","0.1609","0.1809","","","","","","1.018","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024580","21.159","0.001","8.921","0.001","16.079","0.001","90","","123.22","0.01","90","","2539.1","0.3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 F3 N2 -","- C14 H13 F3 N2 -","- C112 H104 F24 N16 -","8","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.0497","0.0484","","","0.1284","0.1298","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024581","17.1113","0.0004","17.2951","0.0004","18.4728","0.0005","90","","90","","90","","5466.9","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C15 H15 F3 N2 -","- C15 H15 F3 N2 -","- C240 H240 F48 N32 -","16","2","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.0574","0.0536","","","0.1483","0.1521","","","","","","1.065","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024582","10.2968","0.0005","11.3686","0.0005","14.3731","0.0008","102.061","0.002","94.523","0.002","101.547","0.004","1599.24","0.14","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 F3 N2 -","- C19 H15 F3 N2 -","- C76 H60 F12 N8 -","4","2","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.082","0.0666","","","0.1688","0.1802","","","","","","1.043","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024583","8.7915","0.0005","16.092","0.001","11.1759","0.0007","90","","106.315","0.004","90","","1517.42","0.16","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H13 F3 N2 S -","- C17 H13 F3 N2 S -","- C68 H52 F12 N8 S4 -","4","1","","Nugzar Ghavtadze; Roland Fröhlich; Ernst-Ulrich Würthwein","Acid-Mediated Electrocyclic Domino Transformations of 5,5-Disubstituted 1-Amino-1-azapenta-1,4-dien-3-ones into Dihydrospiroindenepyrazole and Dihydroindenodiazepine Derivatives","Journal of Organic Chemistry","2009","74","","4584","4591","10.1021/jo900270e","","","1.54178","CuKα","","0.0399","0.0374","","","0.0935","0.0959","","","","","","0.928","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024584","9.696","0.003","11.925","0.003","13.189","0.004","90","","110.928","0.005","90","","1424.37","","","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H19 Br N2 O2 -","- C13 H19 Br N2 O2 -","- C52 H76 Br4 N8 O8 -","4","1","","John M. Humphrey; Eric P. Arnold; Thomas A. Chappie; John B. Feltenberger; Arthur Nagel; Wendy Simon; Melani Suarez-Contreras; Norma J. Tom; Brian T. O'Neill","Diastereoselective Synthesis of 2,3,6-Trisubstituted Piperidines","Journal of Organic Chemistry","2009","74","","4525","4536","10.1021/jo9003184","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024585","6.213","0.001","7.676","0.001","21.575","0.004","96.05","0.1","90.61","0.2","96.21","0.1","1016.95","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C21 H27 N2 O5 S -","- C21 H29 N2 O5 S -","- C42 H58 N4 O10 S2 -","2","1","","John M. Humphrey; Eric P. Arnold; Thomas A. Chappie; John B. Feltenberger; Arthur Nagel; Wendy Simon; Melani Suarez-Contreras; Norma J. Tom; Brian T. O'Neill","Diastereoselective Synthesis of 2,3,6-Trisubstituted Piperidines","Journal of Organic Chemistry","2009","74","","4525","4536","10.1021/jo9003184","","","","","","","","","","","","","","","","","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024586","10.296","0.002","11.414","0.002","11.568","0.003","114.86","0.1","90.77","0.1","112.91","0.1","1110.38","","","","","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N2 O4 -","- C22 H28 N2 O4 -","- C44 H56 N4 O8 -","2","1","","John M. Humphrey; Eric P. Arnold; Thomas A. Chappie; John B. Feltenberger; Arthur Nagel; Wendy Simon; Melani Suarez-Contreras; Norma J. Tom; Brian T. O'Neill","Diastereoselective Synthesis of 2,3,6-Trisubstituted Piperidines","Journal of Organic Chemistry","2009","74","","4525","4536","10.1021/jo9003184","","","","","","","","","","","","","","","","","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"4024587","16.8637","0.0011","11.4353","0.0008","19.0576","0.0013","90","","90","","90","","3675.1","","","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C160 H160 N16 O32 -","8","1","","John M. Humphrey; Eric P. Arnold; Thomas A. Chappie; John B. Feltenberger; Arthur Nagel; Wendy Simon; Melani Suarez-Contreras; Norma J. Tom; Brian T. O'Neill","Diastereoselective Synthesis of 2,3,6-Trisubstituted Piperidines","Journal of Organic Chemistry","2009","74","","4525","4536","10.1021/jo9003184","","","","","","","","","","","","","","","","","","","","","has coordinates","213973","2020-10-21","18:00:00",""
"4024588","34.8509","0.0019","7.5774","0.0004","13.3246","0.0007","90","","90","","90","","3518.7","0.3","100","2","100","2","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C19 H17 N O8 -","- C19 H17 N O8 -","- C152 H136 N8 O64 -","8","2","","Shaofeng Duan; Ranjan Jana; Jon A. Tunge","Lewis Acid-Catalyzed Diastereoselective Hydroarylation of Benzylidene Malonic Esters","Journal of Organic Chemistry","2009","74","","4612","4614","10.1021/jo900367g","","","0.71073","MoKα","","0.0759","0.0564","","","0.1134","0.1201","","","","","","1.004","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024589","10.786","0.002","17.384","0.004","19.229","0.004","90","","92.19","0.03","90","","3602.9","1.3","173","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C38 H40 O6 S4 -","- C38 H40 O6 S4 -","- C152 H160 O24 S16 -","4","1","","Ondrej Kundrat; Ivana Cisarova; Stanislav Böhm; Michaela Pojarova; Pavel Lhotak","Uncommon Regioselectivity in Thiacalix[4]arene Formylation","Journal of Organic Chemistry","2009","74","","4592","4596","10.1021/jo9005574","","","0.71073","MoKα","","0.068","0.0564","","","0.1468","0.1526","","","","","","1.137","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024590","10.786","0.002","16.764","0.003","20.07","0.004","90","","100.12","0.03","90","","3572.6","1.3","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H40 O6 S4 -","- C38 H40 O6 S4 -","- C152 H160 O24 S16 -","4","1","","Ondrej Kundrat; Ivana Cisarova; Stanislav Böhm; Michaela Pojarova; Pavel Lhotak","Uncommon Regioselectivity in Thiacalix[4]arene Formylation","Journal of Organic Chemistry","2009","74","","4592","4596","10.1021/jo9005574","","","0.71073","MoKα","","0.0573","0.0413","","0.0564","0.0448","0.0448","","","","","","1.1014","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024591","17.725","0.004","18.442","0.004","24.145","0.005","90","","90","","90","","7892","3","173","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C39 H42 Cl2 O6 S4 -","- C39 H42 Cl2 O6 S4 -","- C312 H336 Cl16 O48 S32 -","8","2","","Ondrej Kundrat; Ivana Cisarova; Stanislav Böhm; Michaela Pojarova; Pavel Lhotak","Uncommon Regioselectivity in Thiacalix[4]arene Formylation","Journal of Organic Chemistry","2009","74","","4592","4596","10.1021/jo9005574","","","0.71073","MoKα","","0.0539","0.0455","","","0.1191","0.1269","","","","","","1.021","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024592","5.7253","0.0009","24.706","0.004","8.5593","0.0014","90","","93.664","0.002","90","","1208.3","0.3","294","2","294","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H26 Br N O4 S -","- C25 H26 Br N O4 S -","- C50 H52 Br2 N2 O8 S2 -","2","1","","Sadagopan Raghavan; Shaik Mustafa; B. Sridhar","A Versatile Route to (E)- and (Z)-2-Hydroxy-3,4-unsaturated Disubstituted Sulfilimines and Their Haloamidation Reaction","Journal of Organic Chemistry","2009","74","","4499","4507","10.1021/jo900569z","","","0.71073","MoKα","","0.0415","0.036","","","0.0829","0.0848","","","","","","0.971","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024593","10.4876","0.0012","23.375","0.003","26.449","0.003","90","","90","","90","","6483.9","1.3","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C73 H65 Ag2 Cl5 N4 -","- C73 H65 Ag2 Cl5 N4 -","- C292 H260 Ag8 Cl20 N16 -","4","1","","Kang-sang Lee; Amir H. Hoveyda","Monodentate Non-C2-symmetric Chiral N-Heterocyclic Carbene Complexes for Enantioselective Synthesis. Cu-Catalyzed Conjugate Additions of Aryl- and Alkenylsilylfluorides to Cyclic Enones","Journal of Organic Chemistry","2009","74","","4455","4462","10.1021/jo900589x","","","0.71073","MoKα","","0.0691","0.0491","","","0.0871","0.0933","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024594","12.8839","0.001","12.8839","0.001","37.34","0.004","90","","90","","90","","6198.3","1","100","2","100","2","","","","","","","","5","P 43 21 2","P 4nw 2abw","96","","","","- C39 H31 B F4 N2 -","- C39 H31 B F4 N2 -","- C312 H248 B8 F32 N16 -","8","1","","Kang-sang Lee; Amir H. Hoveyda","Monodentate Non-C2-symmetric Chiral N-Heterocyclic Carbene Complexes for Enantioselective Synthesis. Cu-Catalyzed Conjugate Additions of Aryl- and Alkenylsilylfluorides to Cyclic Enones","Journal of Organic Chemistry","2009","74","","4455","4462","10.1021/jo900589x","","","0.71073","MoKα","","0.0949","0.051","","","0.0995","0.1153","","","","","","1.032","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024595","9.466","0.004","17.876","0.008","10.669","0.005","90","","103.358","0.006","90","","1756.4","1.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C36 H33 B F4 N2 -","- C36 H33 B F4 N2 -","- C72 H66 B2 F8 N4 -","2","1","","Kang-sang Lee; Amir H. Hoveyda","Monodentate Non-C2-symmetric Chiral N-Heterocyclic Carbene Complexes for Enantioselective Synthesis. Cu-Catalyzed Conjugate Additions of Aryl- and Alkenylsilylfluorides to Cyclic Enones","Journal of Organic Chemistry","2009","74","","4455","4462","10.1021/jo900589x","","","0.71073","MoKα","","0.0892","0.0769","","","0.2039","0.2133","","","","","","1.061","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024596","12.439","0.002","15.741","0.003","15.883","0.003","90","","90","","90","","3109.9","1","123","2","123","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C33 H42 N2 O3 Si -","- C33 H42 N2 O3 Si -","- C132 H168 N8 O12 Si4 -","4","1","","Giordano Lesma; Nicola Landoni; Tullio Pilati; Alessandro Sacchetti; Alessandra Silvani","Grignard Addition to Imines Derived from Isatine: A Method for the Asymmetric Synthesis of Quaternary 3-Aminooxindoles","Journal of Organic Chemistry","2009","74","","4537","4541","10.1021/jo900623c","","","0.71073","MoKα","","0.076","0.0372","","","0.0711","0.0847","","","","","","0.991","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024597","13.444","0.0019","13.444","0.0019","32.156","0.006","90","","90","","90","","5811.9","1.6","173","2","173","2","","","","","","","","6","P 43 21 2","P 4nw 2abw","96","","","","- C29 H25 Br N2 O3 S -","- C29 H25 Br N2 O3 S -","- C232 H200 Br8 N16 O24 S8 -","8","1","","Liang Cheng; Li Liu; Han Jia; Dong Wang; Yong-Jun Chen","Enantioselective Organocatalytic anti-Mannich-Type Reaction of N-Unprotected 3-Substituted 2-Oxindoles with Aromatic N-Ts-aldimines","Journal of Organic Chemistry","2009","74","","4650","4653","10.1021/jo9006688","","","0.71073","MoKα","","0.0854","0.0357","","","0.0785","0.0855","","","","","","0.546","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024598","9.5668","0.0004","11.9743","0.0005","13.3768","0.0006","100.076","0.002","95.427","0.002","98.737","0.002","1479.64","0.11","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H30 F3 N O6 S -","- C31 H30 F3 N O6 S -","- C62 H60 F6 N2 O12 S2 -","2","1","","Laura Rivado-Casas; Diego Sampedro; Pedro J. Campos; Stefania Fusi; Vinicio Zanirato; Massimo Olivucci","Fluorenylidene-Pyrroline Biomimetic Light-Driven Molecular Switches","Journal of Organic Chemistry","2009","74","","4666","4674","10.1021/jo802792j","","","0.71073","MoKα","","0.1416","0.0629","","","0.138","0.1884","","","","","","1.067","","","","has coordinates","178424","2020-10-21","18:00:00",""
"4024599","47.612","0.0015","14.929","0.0005","14.737","0.0005","90","","97.93","0.002","90","","10374.9","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C98 H150 Si8 -","- C98 H150 Si8 -","- C392 H600 Si32 -","4","0.5","","Abdelaziz Al Ouahabi; Paul N. W. Baxter; Jean-Paul Gisselbrecht; André De Cian; Lydia Brelot; Nathalie Kyritsakas-Gruber","Synthesis and Properties of Oligo[n]cruciforms: Nanosized Sterically Encumbered Tetraethynylphenyl-Homologated Fluorophores","Journal of Organic Chemistry","2009","74","","4675","4689","10.1021/jo802797e","","","0.71073","MoKα","","0.1281","0.0724","","","0.1669","0.1923","","","","","","1.027","","","","has coordinates,has disorder","178424","2020-10-21","18:00:00",""
"4024600","15.9","0.004","6.2937","0.0017","16.234","0.004","90","","107.461","0.004","90","","1549.7","0.7","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H38 Br2 N2 O10 -","- C30 H38 Br2 N2 O10 -","- C60 H76 Br4 N4 O20 -","2","1","","Grier A. Wallace; Thomas D. Gordon; Martin E. Hayes; Donald B. Konopacki; Shannon R. Fix-Stenzel; Xiaolei Zhang; Pintipa Grongsaard; Kevin P. Cusack; Lisa M. Schaffter; Rodger F. Henry; Robert H. Stoffel","Scalable Synthesis and Isolation of the Four Stereoisomers of Methyl 1-Amino-3-(4-bromophenyl)cyclopentanecarboxylate, Useful Intermediates for the Synthesis of S1P1 Receptor Agonists","Journal of Organic Chemistry","2009","74","","4886","4889","10.1021/jo900376b","","","0.71073","MoKα","","0.0679","0.0473","","","0.1108","0.1302","","","","","","1.037","","","","has coordinates","255805","2020-10-21","18:00:00",""
"4024601","12.5312","0.0007","9.2418","0.0005","17.3114","0.0009","90","","96.776","0.001","90","","1990.84","0.19","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 N6 O2 -","- C46 H54 N6 O2 -","- C92 H108 N12 O4 -","2","0.5","","Yuewen Xu; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Control of the Intramolecular [2+2] Photocycloaddition in a Bis-Stilbene Macrocycle","Journal of Organic Chemistry","2009","74","","4874","4877","10.1021/jo900443e","","","0.71073","MoKα","","0.0507","0.0451","","","0.1206","0.1263","","","","","","1.042","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024602","14.0071","0.0018","9.1925","0.0012","22.496","0.003","90","","90","","90","","2896.6","0.6","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C34 H32 N4 O2 -","- C34 H32 N4 O2 -","- C136 H128 N16 O8 -","4","0.5","","Yuewen Xu; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Control of the Intramolecular [2+2] Photocycloaddition in a Bis-Stilbene Macrocycle","Journal of Organic Chemistry","2009","74","","4874","4877","10.1021/jo900443e","","","0.71073","MoKα","","0.086","0.0388","","","0.0696","0.0809","","","","","","0.805","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024603","7.934","0.002","9.003","0.003","12.354","0.003","82.598","0.004","73.657","0.004","89.266","0.004","839.5","0.4","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C38 H32 D12 N4 O4 S2 -","- C38 H44 N4 O4 S2 -","- C38 H44 N4 O4 S2 -","1","0.5","","Yuewen Xu; Mark D. Smith; Jeanette A. Krause; Linda S. Shimizu","Control of the Intramolecular [2+2] Photocycloaddition in a Bis-Stilbene Macrocycle","Journal of Organic Chemistry","2009","74","","4874","4877","10.1021/jo900443e","","","0.7749","synchrotron","","0.0834","0.0506","","","0.115","0.1312","","","","","","1.006","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024604","11.728","0.001","11.728","0.001","26.998","0.005","90","","90","","120","","3216","0.7","100","2","100","2","","","","","","","","4","P 65","P 65","170","","","","- C20 H30 N2 O4 -","- C20 H30 N2 O4 -","- C120 H180 N12 O24 -","6","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","x-ray","0.71073","MoKα","","0.1434","0.0774","","","0.1858","0.2375","","","","","","1.092","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024605","9.5948","0.0001","9.5948","0.0001","40.057","0.0009","90","","90","","120","","3193.6","0.09","173","2","173","2","","","","","","","","4","P 31 2 1","P 31 2""","152","","","","- C23 H28 N2 O4 -","- C23 H28 N2 O4 -","- C138 H168 N12 O24 -","6","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.04","0.0344","","","0.0936","0.0964","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024606","12.1051","0.0006","12.1051","0.0006","27.288","0.003","90","","90","","120","","3462.8","0.5","173","2","173","2","","","","","","","","5","P 65","P 65","170","","","","- C20 H29 I N2 O4 -","- C20 H29 I N2 O4 -","- C120 H174 I6 N12 O24 -","6","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.1022","0.0598","","","0.0766","0.0873","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024607","15.304","0.002","5.7408","0.0007","15.6163","0.0019","90","","108.412","0.001","90","","1301.7","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H32 N2 O4 -","- C29 H32 N2 O4 -","- C58 H64 N4 O8 -","2","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0679","0.0576","","","0.1543","0.1655","","","","","","1.044","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024608","8.5884","0.0004","11.5592","0.0006","11.6674","0.0005","90","","92.501","0.001","90","","1157.18","0.09","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H31 I N2 O4 -","- C22 H31 I N2 O4 -","- C44 H62 I2 N4 O8 -","2","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0305","0.0248","","","0.0485","0.0505","","","","","","1.009","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024609","11.7111","0.0002","11.7978","0.0002","37.5941","0.0007","90","","90","","90","","5194.2","0.16","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H34 N2 O4 -","- C26 H34 N2 O4 -","- C208 H272 N16 O32 -","8","2","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.1556","0.0542","","","0.1279","0.149","","","","","","0.993","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024610","11.1614","0.0006","12.0504","0.0006","18.1145","0.0008","90","","90","","90","","2436.4","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O4 -","- C25 H32 N2 O4 -","- C100 H128 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0578","0.045","","","0.1199","0.1338","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024611","10.3923","0.0005","14.8644","0.0007","16.1866","0.0007","90","","90","","90","","2500.4","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O4 -","- C25 H32 N2 O4 -","- C100 H128 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0664","0.0462","","","0.1308","0.1524","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024612","10.039","0.0007","13.2921","0.0009","19.1025","0.0013","90","","90","","90","","2549","0.3","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.131","0.0642","","","0.1436","0.1848","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024613","9.8874","0.0016","14.583","0.003","17.664","0.003","90","","90","","90","","2546.9","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H30 N2 O4 -","- C28 H30 N2 O4 -","- C112 H120 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0713","0.0408","","","0.0939","0.1117","","","","","","1.076","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024614","9.7394","0.0005","13.3833","0.0007","19.0046","0.0008","90","","90","","90","","2477.2","0.2","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 N2 O4 -","- C25 H32 N2 O4 -","- C100 H128 N8 O16 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.093","0.054","","","0.1167","0.1459","","","","","","1.095","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024615","34.192","","8.269","","11.228","","90","","90","","90","","3174.5","","173","2","173","2","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C27 H33 Cl3 I N3 O5 -","- C27 H33 Cl3 I N3 O5 -","- C108 H132 Cl12 I4 N12 O20 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0503","0.0382","","","0.1071","0.1136","","","","","","1.03","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024616","44.8052","0.0013","44.8052","0.0013","8.8254","0.0004","90","","90","","120","","15343.4","0.9","223","2","223","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C31 H42 I N3 O5 -","- C31 H42 I N3 O5 -","- C558 H756 I18 N54 O90 -","18","2","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0714","0.0442","","","0.1078","0.1238","","","","","","1.028","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024617","6.1613","0.0003","15.2508","0.0007","32.8063","0.0017","90","","90","","90","","3082.6","0.3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C31 H40 I N3 O5 -","- C31 H40 I N3 O5 -","- C124 H160 I4 N12 O20 -","4","1","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.1088","0.0472","","","0.0782","0.0945","","","","","","0.984","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024618","9.8375","0.0013","10.8487","0.0014","14.9223","0.0018","95.264","0.004","90.527","0.004","91.967","0.004","1584.8","0.3","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C31 H40 I N3 O5 -","- C31 H40 I N3 O5 -","- C62 H80 I2 N6 O10 -","2","2","","Carlos Saavedra; Rosendo Hernández; Alicia Boto; Eleuterio Álvarez","Catalytic, One-Pot Synthesis of β-Amino Acids from α-Amino Acids. Preparation of α,β-Peptide Derivatives","Journal of Organic Chemistry","2009","74","","4655","4665","10.1021/jo9004487","","","0.71073","MoKα","","0.0679","0.0589","","","0.1633","0.1712","","","","","","1.06","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024619","6.2808","0.0013","8.2425","0.001","11.701","0.002","90","","95.044","0.016","90","","603.39","0.18","210","2","210","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H12 Br N O3 S -","- C10 H12 Br N O3 S -","- C20 H24 Br2 N2 O6 S2 -","2","1","","Ali Reza Modarresi-Alam; Homeyra Alsadat Amirazizi; Hajar Bagheri; Hamid-Reza Bijanzadeh; Erich Kleinpeter","Dynamic 1H NMR Spectroscopic Study of the Ring Inversion in N-Sulfonyl Morpholines-Studies on N-S Interactions","Journal of Organic Chemistry","2009","74","","4740","4746","10.1021/jo900454a","","","0.71073","MoKα","","0.0691","0.0669","","","0.1938","0.1963","","","","","","1.072","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024620","8.068","0.002","18.294","0.003","8.815","0.002","90","","111.694","0.018","90","","1208.8","0.5","210","2","210","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H15 N O3 S -","- C11 H15 N O3 S -","- C44 H60 N4 O12 S4 -","4","1","","Ali Reza Modarresi-Alam; Homeyra Alsadat Amirazizi; Hajar Bagheri; Hamid-Reza Bijanzadeh; Erich Kleinpeter","Dynamic 1H NMR Spectroscopic Study of the Ring Inversion in N-Sulfonyl Morpholines-Studies on N-S Interactions","Journal of Organic Chemistry","2009","74","","4740","4746","10.1021/jo900454a","","","0.71073","MoKα","","0.0441","0.0381","","","0.1043","0.1076","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024621","8.6771","0.0004","13.5424","0.0006","15.5225","0.0007","90","","90","","90","","1824.03","0.14","233","","233","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H18 O -","- C26 H18 O -","- C104 H72 O4 -","4","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0378","0.0345","","","0.0928","0.096","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024622","11.5872","0.0006","13.3959","0.0007","12.7941","0.0007","90","","103.744","0.001","90","","1929.05","0.18","233","","233","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H17 N O3 -","- C26 H17 N O3 -","- C104 H68 N4 O12 -","4","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0448","0.038","","","0.1055","0.1122","","","","","","1.052","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024623","9.8749","0.0012","15.454","0.002","12.2626","0.0016","90","","93.331","0.001","90","","1868.2","0.4","233","","233","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H18 S -","- C26 H18 S -","- C104 H72 S4 -","4","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0473","0.0384","","","0.1365","0.1477","","","","","","1.165","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024624","8.0498","0.0004","14.0184","0.0007","34.4239","0.0017","90","","90","","90","","3884.6","0.3","233","","233","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C26 H17 N O2 S -","- C26 H17 N O2 S -","- C208 H136 N8 O16 S8 -","8","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0509","0.0475","","","0.1379","0.1421","","","","","","1.111","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024625","8.8352","0.0004","13.4061","0.0007","15.7051","0.0008","90","","90","","90","","1860.2","0.16","233","","233","","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Satoko Hayashi; Takashi Nakamoto; Mao Minoura; Waro Nakanishi","Evidence for Effective p(Z)-π(Ar) Conjugations (Z = S, Se, and Te, as Well as Z = O) in 9-(Arylchalcogenyl)triptycenes: Experimental and Theoretical Investigations","Journal of Organic Chemistry","2009","74","","4763","4771","10.1021/jo900488r","","","0.71073","MoKα","","0.0388","0.0353","","","0.1119","0.1175","","","","","","0.997","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024626","14.447","0.003","9.549","0.002","12.138","0.003","90","","95.406","0.013","90","","1667.1","0.7","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O3 -","- C18 H28 O3 -","- C72 H112 O12 -","4","1","","Richard J. Duffy; Kay A. Morris; Ravikrishna Vallakati; Wei Zhang; Daniel Romo","Asymmetric Synthesis, Structure, and Reactivity of Unexpectedly Stable Spiroepoxy-β-Lactones Including Facile Conversion to Tetronic Acids: Application to (+)-Maculalactone A","Journal of Organic Chemistry","2009","74","","4772","4781","10.1021/jo900499e","","","1.54178","CuKα","","0.1106","0.0822","","","0.1805","0.1973","","","","","","1.034","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024627","7.0114","0.0008","7.4934","0.0007","34.767","0.003","90","","90","","90","","1826.6","0.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H15 F3 O5 S -","- C19 H15 F3 O5 S -","- C76 H60 F12 O20 S4 -","4","1","","Richard J. Duffy; Kay A. Morris; Ravikrishna Vallakati; Wei Zhang; Daniel Romo","Asymmetric Synthesis, Structure, and Reactivity of Unexpectedly Stable Spiroepoxy-β-Lactones Including Facile Conversion to Tetronic Acids: Application to (+)-Maculalactone A","Journal of Organic Chemistry","2009","74","","4772","4781","10.1021/jo900499e","","","1.54178","CuKα","","0.0356","0.0313","","","0.0802","0.0847","","","","","","1.068","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024628","15.4756","0.0015","10.1169","0.0011","10.6297","0.0011","90","","94.168","0.006","90","","1659.8","0.3","110","2","110","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H28 O3 -","- C18 H28 O3 -","- C72 H112 O12 -","4","1","","Richard J. Duffy; Kay A. Morris; Ravikrishna Vallakati; Wei Zhang; Daniel Romo","Asymmetric Synthesis, Structure, and Reactivity of Unexpectedly Stable Spiroepoxy-β-Lactones Including Facile Conversion to Tetronic Acids: Application to (+)-Maculalactone A","Journal of Organic Chemistry","2009","74","","4772","4781","10.1021/jo900499e","","","1.54178","CuKα","","0.0884","0.0595","","","0.1339","0.1434","","","","","","1.04","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024629","10.9758","0.0004","12.2418","0.0004","14.2488","0.0005","95.135","0.002","106.852","0.002","113.93","0.002","1627.19","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N4 O7 -","- C36 H46 N4 O7 -","- C72 H92 N8 O14 -","2","1","","Nicolas Bernier; Sílvia Carvalho; Feng Li; Rita Delgado; Vítor Félix","Anion Recognition by a Macrobicycle Based on a Tetraoxadiaza Macrocycle and an Isophthalamide Head Unit","Journal of Organic Chemistry","2009","74","","4819","4827","10.1021/jo9005798","","","0.71073","MoKα","","0.0928","0.0475","","","0.1107","0.1356","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024630","18.008","0.002","11.96","0.001","7.8922","0.0007","90","","113.627","0.006","90","","1557.3","0.3","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H14 O2 S2 -","- C18 H14 O2 S2 -","- C72 H56 O8 S8 -","4","1","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.71073","MoKα","","0.0493","0.0406","","","0.099","0.1051","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024631","8.5007","0.0015","5.7259","0.0009","15.333","0.002","90","0.005","96.413","0.009","90","0.005","741.7","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H14 S2 -","- C20 H14 S2 -","- C40 H28 S4 -","2","0.5","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.71069","MoKα","","0.0604","0.0397","","","0.09","0.1001","","","","","","1.025","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024632","7.9141","0.0009","7.0287","0.0009","22.219","0.003","90","","91.264","0.008","90","","1235.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 S2 -","- C30 H34 S2 -","- C60 H68 S4 -","2","0.5","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.71073","MoKα","","0.0464","0.0371","","","0.0914","0.0964","","","","","","1.061","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024633","5.323","0.0008","6.751","0.001","25.114","0.004","90.265","0.008","93.18","0.008","97.862","0.008","892.6","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H58 S2 -","- C42 H58 S2 -","- C42 H58 S2 -","1","0.5","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.71069","MoKα","","0.1539","0.0791","","","0.1871","0.2319","","","","","","1.073","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024634","20.836","0.003","7.2033","0.001","6.9755","0.001","90","","92.019","0.002","90","","1046.3","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C30 H18 S2 -","- C30 H18 S2 -","- C60 H36 S4 -","2","0.5","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.7749","synchrotron","","0.0688","0.0441","","","0.1102","0.1256","","","","","","1.004","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024635","9.1796","0.0004","12.5028","0.0005","18.389","0.0008","90","","97.188","0.002","90","","2093.93","0.15","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H18 S2 -","- C30 H18 S2 -","- C120 H72 S8 -","4","1","","Agostino Pietrangelo; Brian O. Patrick; Mark J. MacLachlan; Michael O. Wolf","Conjugated Thiophene-Containing Oligoacenes Through Photocyclization: Bent Acenedithiophenes and a Thiahelicene","Journal of Organic Chemistry","2009","74","","4918","4926","10.1021/jo900590u","","","0.71073","MoKα","","0.0612","0.0396","","","0.0943","0.1049","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024636","12.2998","0.0007","13.2498","0.0007","22.1649","0.0012","80.07","0.004","87.587","0.004","89.341","0.004","3554.9","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C86 H58 N8 O3 -","- C86 H58 N8 O3 -","- C172 H116 N16 O6 -","2","1","","Joshua Akhigbe; Claudia Ryppa; Matthias Zeller; Christian Brückner","Oxazolochlorins. 2. Intramolecular Cannizzaro Reaction of meso-Tetraphenylsecochlorin Bisaldehyde","Journal of Organic Chemistry","2009","74","","4927","4933","10.1021/jo9006046","","","0.71073","MoKα","","0.19","0.0893","","","0.1974","0.2289","","","","","","0.955","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024637","13.387","0.002","17.522","0.002","23.044","0.003","111.151","0.009","96.563","0.011","103.945","0.009","4770.2","1.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C96 H106 N12 O14 -","- C96 H106 N12 O14 -","- C192 H212 N24 O28 -","2","1","","Hai-Yu Hu; Wei Xue; Zhi-Qiang Hu; Jun-Feng Xiang; Chuan-Feng Chen; Sheng-Gui He","Probing the Dynamic Environment-Associated Conformational Conversion from Secondary to Supersecondary Structures in Oligo(phenanthroline dicarboxamide)s","Journal of Organic Chemistry","2009","74","","4949","4957","10.1021/jo900647d","","","0.7107","MoKα","","0.1603","0.1343","","","0.4111","0.4329","","","","","","1.585","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024638","13.257","0.003","18.769","0.004","19.131","0.004","117.56","0.03","91.6","0.03","103.68","0.03","4047.9","1.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C90 H92 N12 O13 -","- C90 H90 N12 O13 -","- C180 H180 N24 O26 -","2","1","","Hai-Yu Hu; Wei Xue; Zhi-Qiang Hu; Jun-Feng Xiang; Chuan-Feng Chen; Sheng-Gui He","Probing the Dynamic Environment-Associated Conformational Conversion from Secondary to Supersecondary Structures in Oligo(phenanthroline dicarboxamide)s","Journal of Organic Chemistry","2009","74","","4949","4957","10.1021/jo900647d","","","0.71073","MoKα","","0.2907","0.1666","","","0.3297","0.3913","","","","","","1.192","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024639","13.471","0.003","17.872","0.004","18.764","0.004","103.82","0.03","91.95","0.03","110.35","0.03","4079.2","1.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C91 H93 N12 O13 -","- C91 H93 N12 O13 -","- C182 H186 N24 O26 -","2","1","","Hai-Yu Hu; Wei Xue; Zhi-Qiang Hu; Jun-Feng Xiang; Chuan-Feng Chen; Sheng-Gui He","Probing the Dynamic Environment-Associated Conformational Conversion from Secondary to Supersecondary Structures in Oligo(phenanthroline dicarboxamide)s","Journal of Organic Chemistry","2009","74","","4949","4957","10.1021/jo900647d","","","0.71073","MoKα","","0.404","0.113","","","0.1551","0.2312","","","","","","1.008","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024640","20.318","0.004","18.965","0.004","18.194","0.004","90","","90.13","0.03","90","","7011","2","113","2","113","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C67 H71 Cl10 F N8 O8 -","- C67 H71 Cl10 F N8 O8 -","- C268 H284 Cl40 F4 N32 O32 -","4","0.5","","Hai-Yu Hu; Wei Xue; Zhi-Qiang Hu; Jun-Feng Xiang; Chuan-Feng Chen; Sheng-Gui He","Probing the Dynamic Environment-Associated Conformational Conversion from Secondary to Supersecondary Structures in Oligo(phenanthroline dicarboxamide)s","Journal of Organic Chemistry","2009","74","","4949","4957","10.1021/jo900647d","","","0.71073","MoKα","","0.0742","0.0632","","","0.1733","0.1832","","","","","","1.126","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024641","14.1007","0.0016","35.769","0.004","22.459","0.002","90","","118.483","0.003","90","","9956.5","1.9","113","2","113","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C102 H103 F2 N12 O12 -","- C90 H88 F2 N12 O12 -","- C360 H352 F8 N48 O48 -","4","0.5","","Hai-Yu Hu; Wei Xue; Zhi-Qiang Hu; Jun-Feng Xiang; Chuan-Feng Chen; Sheng-Gui He","Probing the Dynamic Environment-Associated Conformational Conversion from Secondary to Supersecondary Structures in Oligo(phenanthroline dicarboxamide)s","Journal of Organic Chemistry","2009","74","","4949","4957","10.1021/jo900647d","","","0.7107","MoKα","","0.0846","0.0699","","","0.1973","0.2117","","","","","","1.053","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024642","10.212","0.002","12.584","0.003","54.613","0.011","90","","93.265","0.003","90","","7007","3","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H30 Se2 -","- C27 H30 Se2 -","- C324 H360 Se24 -","12","3","","Lei Yu; Jundong Meng; Ling Xia; Rong Guo","Lewis Acid Catalyzed Reaction of Methylenecyclopropanes with 1,2-Diphenyldiselane or 1,2-Di-p-tolyldisulfane","Journal of Organic Chemistry","2009","74","","5087","5089","10.1021/jo9006514","","","0.71073","MoKα","","0.1539","0.1186","","","0.2138","0.2263","","","","","","1.164","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024643","10.254","0.008","10.743","0.008","12.09","0.009","97.948","0.013","106.727","0.013","102.782","0.013","1214.5","1.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C32.5 H28.5 N -","- C32.5 H28.5 N -","- C65 H57 N2 -","2","1","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.1367","0.0721","","","0.2017","0.2436","","","","","","0.958","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024644","11.907","0.004","5.6848","0.0016","12.95","0.004","90","","92.517","0.005","90","","875.7","0.4","108","2","108","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N -","- C12 H11 N -","- C48 H44 N4 -","4","1","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.0611","0.0517","","","0.132","0.139","","","","","","1.072","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024645","9.466","0.004","13.596","0.005","19.082","0.007","102.001","0.007","98.593","0.007","100.478","0.007","2317","1.6","93","2","93","2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H34 N O Si -","- C24 H34 N O Si -","- C96 H136 N4 O4 Si4 -","4","2","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.2006","0.1078","","","0.2175","0.2396","","","","","","1.011","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024646","9.779","0.003","10.939","0.003","11.635","0.004","89.483","0.006","77.658","0.005","85.916","0.005","1212.8","0.7","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H34 N2 O Si -","- C25 H34 N2 O Si -","- C50 H68 N4 O2 Si2 -","2","1","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.0572","0.0477","","","0.136","0.1444","","","","","","1.037","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024647","11.869","0.002","10.874","0.002","22.01","0.004","90","","93.52","0.03","90","","2835.2","1","123","2","123","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C27 H43 N O Si2 -","- C27 H43 N O Si2 -","- C108 H172 N4 O4 Si8 -","4","1","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.1086","0.0738","","","0.1783","0.1939","","","","","","1.022","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024648","9.8894","0.0016","21.213","0.003","11.8512","0.0019","90","","93.758","0.003","90","","2480.9","0.7","123","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N4 -","- C14 H14 N4 -","- C112 H112 N32 -","8","2","","Feldman, Ken S.; Hester, D. Keith; Iyer, Malliga R.; Munson, Paul J.; Silva López, Carlos; Faza, Olalla Nieto","Allenyl Azide Cycloaddition Chemistry. 2,3-Cyclopentennelated Indole Synthesis through Indolidene Intermediates","Journal of Organic Chemistry","2009","74","14","4958","4974","10.1021/jo900659w","","","0.71073","MoKα","","0.118","0.0679","","","0.171","0.1985","","","","","","0.963","","","","has coordinates","210090","2020-10-21","18:00:00",""
"4024649","12.351","0.003","5.825","0.0012","15.939","0.003","90","","96.42","0.03","90","","1139.5","0.4","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 O3 -","- C13 H15 O3 -","- C52 H60 O12 -","4","1","","Tony V. Robinson; Daniel Sejer Pedersen; Dennis K. Taylor; Edward R. T. Tiekink","Dihydroxylation of 4-Substituted 1,2-Dioxines: A Concise Route to Branched Erythro Sugars","Journal of Organic Chemistry","2009","74","","5093","5096","10.1021/jo900669u","","","0.7107","MoKα","","0.05","0.048","","","0.128","0.13","","","","","","1.09","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024650","8.1057","0.0016","10.616","0.002","10.188","0.002","90","","90.7","0.03","90","","876.6","0.3","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O3 -","- C10 H12 O3 -","- C40 H48 O12 -","4","1","","Tony V. Robinson; Daniel Sejer Pedersen; Dennis K. Taylor; Edward R. T. Tiekink","Dihydroxylation of 4-Substituted 1,2-Dioxines: A Concise Route to Branched Erythro Sugars","Journal of Organic Chemistry","2009","74","","5093","5096","10.1021/jo900669u","","","0.7107","MoKα","","0.06","0.053","","","0.127","0.134","","","","","","1.09","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024651","18.1073","0.0002","7.25478","0.00008","32.4017","0.0004","90","","94.475","0.0012","90","","4243.46","0.08","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 N O4 S -","- C14 H16 N O4 S -","- C168 H192 N12 O48 S12 -","12","6","","Alan Armstrong; Yunas Bhonoah; Andrew J. P. White","Constrained β-Proline Analogues in Organocatalytic Aldol Reactions: The Influence of Acid Geometry","Journal of Organic Chemistry","2009","74","","5041","5048","10.1021/jo900840v","","","1.54184","CuKα","","0.0541","0.0364","","","0.0748","0.0799","","","","","","0.932","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024652","17.092","0.003","10.0062","0.0013","15.548","0.002","90","","109.775","0.012","90","","2502.3","0.6","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H13 N O4 -","- C14 H13 N O4 -","- C112 H104 N8 O32 -","8","1","","Yu Lan; Lujiang Deng; Jing Liu; Can Wang; Olaf Wiest; Zhen Yang; Yun-Dong Wu","On the Mechanism of the Palladium Catalyzed Intramolecular Pauson-Khand-Type Reaction","Journal of Organic Chemistry","2009","74","","5049","5058","10.1021/jo900919v","","","0.71073","MoKα","","0.1051","0.0627","","","0.12","0.1438","","","","","","1.059","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024653","9.8729","0.0015","9.9187","0.0014","18.54","0.003","82.15","0.006","79.402","0.006","80.603","0.006","1750","0.5","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C12 H14 N4 -","- C12 H14 N4 -","- C72 H84 N24 -","6","3","","Yan Li; Brian O. Patrick; David Dolphin","Near-Infrared Absorbing Azo Dyes: Synthesis and X-ray Crystallographic and Spectral Characterization of Monoazopyrroles, Bisazopyrroles, and a Boron-Azopyrrole Complex","Journal of Organic Chemistry","2009","74","","5237","5243","10.1021/jo9003019","","","0.71073","MoKα","","0.0671","0.0427","","","0.0977","0.1093","","","","","","1.019","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024654","24.358","0.002","6.0556","0.0004","7.4113","0.0004","90","","90","","90","","1093.18","0.13","173","2","173","2","","","","","","","","4","P m n 21","P 2ac -2","31","","","","- C21 H25 Cl2 N7 -","- C21 H25 Cl2 N7 -","- C42 H50 Cl4 N14 -","2","0.5","","Yan Li; Brian O. Patrick; David Dolphin","Near-Infrared Absorbing Azo Dyes: Synthesis and X-ray Crystallographic and Spectral Characterization of Monoazopyrroles, Bisazopyrroles, and a Boron-Azopyrrole Complex","Journal of Organic Chemistry","2009","74","","5237","5243","10.1021/jo9003019","","","0.71073","MoKα","","0.0454","0.0391","","","0.1011","0.1048","","","","","","1.041","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024655","33.59","0.003","5.3632","0.0005","16.252","0.002","90","","98.849","0.004","90","","2892.9","0.5","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N5 O2 -","- C16 H13 N5 O2 -","- C128 H104 N40 O16 -","8","1","","Yan Li; Brian O. Patrick; David Dolphin","Near-Infrared Absorbing Azo Dyes: Synthesis and X-ray Crystallographic and Spectral Characterization of Monoazopyrroles, Bisazopyrroles, and a Boron-Azopyrrole Complex","Journal of Organic Chemistry","2009","74","","5237","5243","10.1021/jo9003019","","","0.71069","MoKα","","0.0504","0.0356","","","0.0905","0.0972","","","","","","1.069","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024656","17.797","0.003","7.943","0.001","14.246","0.002","90","","97.465","0.006","90","","1996.8","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 B F2 N7 -","- C20 H22 B F2 N7 -","- C80 H88 B4 F8 N28 -","4","1","","Yan Li; Brian O. Patrick; David Dolphin","Near-Infrared Absorbing Azo Dyes: Synthesis and X-ray Crystallographic and Spectral Characterization of Monoazopyrroles, Bisazopyrroles, and a Boron-Azopyrrole Complex","Journal of Organic Chemistry","2009","74","","5237","5243","10.1021/jo9003019","","","0.71069","MoKα","","0.0709","0.0408","","","0.0976","0.1107","","","","","","1.042","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024657","9.1568","0.0007","19.9575","0.0016","9.6108","0.0007","90","","114.234","0.001","90","","1601.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 I O4 -","- C16 H17 I O4 -","- C64 H68 I4 O16 -","4","1","","Jie Chen; Shengming Ma","An X-(X = I, Br)-Triggered Ring-Opening Cyclization of Cyclopropenyl-Substituted Alkyl Halides or Mesylates: An Efficient and Highly Regio- and Stereoselective Approach to (E)-Haloalkylidene 4-7-Membered Cyclic Compounds","Journal of Organic Chemistry","2009","74","","5595","5598","10.1021/jo900389m","","","0.71073","MoKα","","0.0394","0.0332","","","0.0847","0.0878","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024658","8.2163","0.0009","13.1526","0.0015","12.5835","0.0014","90","","95.994","0.002","90","","1352.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H17 I O4 -","- C12 H17 I O4 -","- C48 H68 I4 O16 -","4","1","","Jie Chen; Shengming Ma","An X-(X = I, Br)-Triggered Ring-Opening Cyclization of Cyclopropenyl-Substituted Alkyl Halides or Mesylates: An Efficient and Highly Regio- and Stereoselective Approach to (E)-Haloalkylidene 4-7-Membered Cyclic Compounds","Journal of Organic Chemistry","2009","74","","5595","5598","10.1021/jo900389m","","","0.71073","MoKα","","0.046","0.0416","","","0.1048","0.1075","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024659","7.8758","0.0007","19.0832","0.0018","26.114","0.002","90","","93.238","0.002","90","","3918.5","0.6","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-bromoacrylic acid-PBP Ni(II)","","- C22 H15 Br N3 Ni O3.5 -","- C22 H15 Br N3 Ni O3.5 -","- C176 H120 Br8 N24 Ni8 O28 -","8","2","","Xiao Ding; Deju Ye; Fang Liu; Guanghui Deng; Guannan Liu; Xiaomin Luo; Hualiang Jiang; Hong Liu","Efficient Synthesis of α-Aryl-/Heteroaryl-Substituted β-Amino Acids via Ni(II) Complex through the Suzuki Coupling Reaction","Journal of Organic Chemistry","2009","74","","5656","5659","10.1021/jo900469d","","","0.71073","MoKα","","0.1162","0.0747","","","0.1601","0.1779","","","","","","1.065","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024660","5.903","0.0002","10.6258","0.0003","26.646","0.0007","90","","96.172","0.002","90","","1661.66","0.09","150","","150","","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N -","- C23 H19 N -","- C92 H76 N4 -","4","1","","Gil Fridkin; Nicolas Boutard; William D. Lubell","β,β-Disubstituted C- and N-Vinylindoles from One-Step Condensations of Aldehydes and Indole Derivatives","Journal of Organic Chemistry","2009","74","","5603","5606","10.1021/jo900526p","","","1.54178","CuKα","","0.0574","0.036","","","0.0771","0.0822","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024661","5.524","0.004","8.048","0.005","20.295","0.012","90","","97.18","0.014","90","","895.2","1","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H34 O4 -","- C17 H34 O4 -","- C34 H68 O8 -","2","1","","Marcelino Gutiérrez; Eric H. Andrianasolo; Won Kyo Shin; Douglas E. Goeger; Alexandre Yokochi; Jörg Schemies; Manfred Jung; Dennis France; Susan Cornell-Kennon; Eun Lee; William H. Gerwick","Structural and Synthetic Investigations of Tanikolide Dimer, a SIRT2 Selective Inhibitor, and Tanikolideseco-Acid from the Madagascar Marine Cyanobacterium Lyngbya majuscula","Journal of Organic Chemistry","2009","74","","5267","5275","10.1021/jo900578j","","","1.5418","CuKα","","0.0975","0.0882","","","0.2253","0.2358","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024662","6.8355","0.0005","11.3386","0.0008","14.1413","0.001","72.072","0.001","88.266","0.001","79.759","0.001","1025.84","0.13","173","2","173","2","","","","","","","","4","P -1","-P 1","2","1,3,6,8-tetrakis(tert-butyldimethylsilyl) naphtho[1,2-<i>c</i>:5,6-<i>c</i>]difuran","1,3,6,8-tetrakis(tert-butyldimethylsilyl) naphtho[1,2-<i>c</i>:5,6-<i>c</i>]difuran","","- C38 H64 O2 Si4 -","- C38 H64 O2 Si4 -","- C38 H64 O2 Si4 -","1","0.5","","Steven J. Robbins; Michelle E. Thibault; Jason D. Masuda; David R. Ward; René T. Boeré; Peter W. Dibble","X-ray Structures of Cyclophanes Derived from Naphtho[1,2-c:5,6-c]difuran and the Synthesis, Structure, and Reaction Kinetics of Its 1,3,6,8-Tetrasilylated Derivative","Journal of Organic Chemistry","2009","74","","5192","5198","10.1021/jo900582r","","","0.71073","MoKα","","0.0526","0.0391","","","0.0893","0.096","","","","","","1.024","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024663","11.799","0.004","12.598","0.004","33.55","0.01","90","","90","","90","","4987","3","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C48 H74 N2 O6 Si4 -","- C48 H74 N2 O6 Si4 -","- C192 H296 N8 O24 Si16 -","4","1","","Steven J. Robbins; Michelle E. Thibault; Jason D. Masuda; David R. Ward; René T. Boeré; Peter W. Dibble","X-ray Structures of Cyclophanes Derived from Naphtho[1,2-c:5,6-c]difuran and the Synthesis, Structure, and Reaction Kinetics of Its 1,3,6,8-Tetrasilylated Derivative","Journal of Organic Chemistry","2009","74","","5192","5198","10.1021/jo900582r","","","0.71073","MoKα","","0.0506","0.0429","","","0.0967","0.101","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024664","8.0227","0.0011","11.0423","0.0014","15.171","0.002","94.253","0.002","90.449","0.002","104.816","0.002","1295.3","0.3","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H39 N O3 Si2 -","- C25 H39 N O3 Si2 -","- C50 H78 N2 O6 Si4 -","2","1","","Steven J. Robbins; Michelle E. Thibault; Jason D. Masuda; David R. Ward; René T. Boeré; Peter W. Dibble","X-ray Structures of Cyclophanes Derived from Naphtho[1,2-c:5,6-c]difuran and the Synthesis, Structure, and Reaction Kinetics of Its 1,3,6,8-Tetrasilylated Derivative","Journal of Organic Chemistry","2009","74","","5192","5198","10.1021/jo900582r","","","0.71073","MoKα","","0.0454","0.0401","","","0.1149","0.1234","","","","","","1.064","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024665","14.25","0.0016","7.8987","0.0009","16.1812","0.0018","90","","95.752","0.001","90","","1812.1","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3C-acrylate-tethered-cyclophane","","","- C23 H20 O6 -","- C23 H20 O6 -","- C92 H80 O24 -","4","1","","Steven J. Robbins; Michelle E. Thibault; Jason D. Masuda; David R. Ward; René T. Boeré; Peter W. Dibble","X-ray Structures of Cyclophanes Derived from Naphtho[1,2-c:5,6-c]difuran and the Synthesis, Structure, and Reaction Kinetics of Its 1,3,6,8-Tetrasilylated Derivative","Journal of Organic Chemistry","2009","74","","5192","5198","10.1021/jo900582r","","","0.71073","MoKα","","0.0983","0.058","","","0.1504","0.1766","","","","","","1.031","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024666","6.86","0.005","7.634","0.005","16.845","0.005","81.178","0.005","86.386","0.005","79.835","0.005","857.5","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C18 H16 Br N O2 S -","- C18 H16 Br N O2 S -","- C36 H32 Br2 N2 O4 S2 -","2","1","","Prabal P. Singh; A. K. Yadav; H. Ila; H. Junjappa","Novel Route to 2,3-Substituted Benzo[b]thiophenes via Intramolecular Radical Cyclization","Journal of Organic Chemistry","2009","74","","5496","5501","10.1021/jo900615p","","","0.71069","MoKα","","0.1014","0.0746","","","0.2092","0.2787","","","","","","1.2","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024667","9.924","0.005","17.654","0.005","9.34","0.005","90","0.005","107.787","0.005","90","0.005","1558.1","1.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br F N O S -","- C17 H13 Br F N O S -","- C68 H52 Br4 F4 N4 O4 S4 -","4","1","","Prabal P. Singh; A. K. Yadav; H. Ila; H. Junjappa","Novel Route to 2,3-Substituted Benzo[b]thiophenes via Intramolecular Radical Cyclization","Journal of Organic Chemistry","2009","74","","5496","5501","10.1021/jo900615p","","","0.71069","MoKα","","0.0764","0.0443","","","0.0898","0.1408","","","","","","1.146","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024668","6.504","0.005","7.636","0.005","17.029","0.005","85.25","0.005","82.417","0.005","83.121","0.005","830.4","0.9","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 Br N O2 S2 -","- C16 H14 Br N O2 S2 -","- C32 H28 Br2 N2 O4 S4 -","2","1","","Prabal P. Singh; A. K. Yadav; H. Ila; H. Junjappa","Novel Route to 2,3-Substituted Benzo[b]thiophenes via Intramolecular Radical Cyclization","Journal of Organic Chemistry","2009","74","","5496","5501","10.1021/jo900615p","","","0.71069","MoKα","","0.0767","0.0521","","","0.1249","0.2","","","","","","1.244","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024669","25.912","0.005","6.972","0.005","19.546","0.005","90","0.005","127.953","0.005","90","0.005","2784","2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C15 H10 Br F N2 S -","- C15 H10 Br F N2 S -","- C120 H80 Br8 F8 N16 S8 -","8","1","","Prabal P. Singh; A. K. Yadav; H. Ila; H. Junjappa","Novel Route to 2,3-Substituted Benzo[b]thiophenes via Intramolecular Radical Cyclization","Journal of Organic Chemistry","2009","74","","5496","5501","10.1021/jo900615p","","","0.71069","MoKα","","0.0764","0.0462","","","0.099","0.1318","","","","","","1.069","","","","has coordinates","258736","2020-11-05","08:57:03",""
"4024670","8.511","0.005","9.428","0.005","12.324","0.005","78.575","0.005","82.908","0.005","71.145","0.005","915.4","0.8","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 Br N2 O S -","- C20 H17 Br N2 O S -","- C40 H34 Br2 N4 O2 S2 -","2","1","","Prabal P. Singh; A. K. Yadav; H. Ila; H. Junjappa","Novel Route to 2,3-Substituted Benzo[b]thiophenes via Intramolecular Radical Cyclization","Journal of Organic Chemistry","2009","74","","5496","5501","10.1021/jo900615p","","","0.71069","MoKα","","0.1007","0.0627","","","0.1542","0.2189","","","","","","1.096","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024671","11.606","0.006","10.041","0.005","19.245","0.007","90","","90","","90","","2242.7","1.8","150","2","150","2","","","","","","","see text","5","P b c a","-P 2ac 2ab","61","","","","- C8 H14 N2 O2 S -","- C8 H14 N2 O2 S -","- C64 H112 N16 O16 S8 -","8","1","","Vommina V. Sureshbabu; Shankar A. Naik; H. P. Hemantha; N. Narendra; Ushati Das; Tayur N. Guru Row","N-Urethane-Protected Amino Alkyl Isothiocyanates: Synthesis, Isolation, Characterization, and Application to the Synthesis of Thioureidopeptides","Journal of Organic Chemistry","2009","74","","5260","5266","10.1021/jo900675s","","x-ray","0.71073","MoKα","","0.0718","0.0569","","","0.1722","0.1857","","","","","","1.071","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024672","9.2169","0.0009","12.9166","0.0013","13.6787","0.0013","90","","90","","90","","1628.5","0.3","150","2","150","2","","","","","","","see text","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 N2 O2 S -","- C15 H20 N2 O2 S -","- C60 H80 N8 O8 S4 -","4","1","","Vommina V. Sureshbabu; Shankar A. Naik; H. P. Hemantha; N. Narendra; Ushati Das; Tayur N. Guru Row","N-Urethane-Protected Amino Alkyl Isothiocyanates: Synthesis, Isolation, Characterization, and Application to the Synthesis of Thioureidopeptides","Journal of Organic Chemistry","2009","74","","5260","5266","10.1021/jo900675s","","x-ray","0.71073","MoKα","","0.0577","0.0453","","","0.0997","0.1041","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024673","10.5739","0.0015","4.9342","0.0007","9.7643","0.0013","90","","100.17","0.04","90","","501.4","0.1","120","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","4,5,6-trifluoropyridazin-3(2H)-one","","- C4 H F3 N2 O -","- C4 H F3 N2 O -","- C16 H4 F12 N8 O4 -","4","1","","Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller","Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine","Journal of Organic Chemistry","2009","74","","5533","5540","10.1021/jo9006943","","","0.71073","Mo-Kα","","0.0614","0.0473","","","0.1314","0.1401","","","","","","0.956","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024674","5.5843","0.0004","7.7332","0.0005","23.7937","0.0015","95.333","0.002","95.092","0.002","90.95","0.002","1018.71","0.12","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","4-(benzylamino)-5,6-difluoropyridazin-3(2H)-one","","- C11 H9 F2 N3 O -","- C11 H9 F2 N3 O -","- C44 H36 F8 N12 O4 -","4","2","","Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller","Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine","Journal of Organic Chemistry","2009","74","","5533","5540","10.1021/jo9006943","","","0.71073","Mo-Kα","","0.078","0.0703","","","0.1719","0.1749","","","","","","1.14","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024675","13.4744","0.0009","4.7342","0.0004","14.8788","0.0009","90","","96.41","0.02","90","","943.19","0.12","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(piperidino)-5,6-difluoropyridazin-3(2H)-one","","- C9 H11 F2 N3 O -","- C9 H11 F2 N3 O -","- C36 H44 F8 N12 O4 -","4","1","","Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller","Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine","Journal of Organic Chemistry","2009","74","","5533","5540","10.1021/jo9006943","","","0.71073","Mo-Kα","","0.1026","0.057","","","0.1262","0.1546","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024676","15.0815","0.0004","24.6147","0.0006","5.0146","0.0001","90","","90","","90","","1861.55","0.08","120","2","120","2","","","","","","","","5","P n a 21","P 2c -2n","33","","5-(butylamino)-4,6-difluoropyridazin-3(2H)-one","","- C8 H11 F2 N3 O -","- C8 H11 F2 N3 O -","- C64 H88 F16 N24 O8 -","8","2","","Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller","Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine","Journal of Organic Chemistry","2009","74","","5533","5540","10.1021/jo9006943","","","0.71073","Mo-Kα","","0.0509","0.038","","","0.0878","0.0935","","","","","","0.962","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024677","7.9081","0.0011","9.3887","0.0011","10.1211","0.0018","101.189","0.01","112.835","0.01","102.974","0.01","640.96","0.16","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H19 N5 O2 -","- C12 H19 N5 O2 -","- C24 H38 N10 O4 -","2","1","","Graham Pattison; Graham Sandford; Dmitry S. Yufit; Judith A. K. Howard; John A. Christopher; David D. Miller","Polysubstituted Pyridazinones from Sequential Nucleophilic Substitution Reactions of Tetrafluoropyridazine","Journal of Organic Chemistry","2009","74","","5533","5540","10.1021/jo9006943","","","0.71073","Mo-Kα","","0.0664","0.058","","","0.1649","0.1733","","","","","","1.03","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024678","13.4761","0.0009","11.2751","0.0007","14.8026","0.0008","90","","116.863","0.004","90","","2006.5","0.2","110","","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 Br N4 O -","- C24 H21 Br N4 O -","- C96 H84 Br4 N16 O4 -","4","1","","Olga Mass; Marcin Ptaszek; Masahiko Taniguchi; James R. Diers; Hooi Ling Kee; David F. Bocian; Dewey Holten; Jonathan S. Lindsey","Synthesis and Photochemical Properties of 12-Substituted versus 13-Substituted Chlorins","Journal of Organic Chemistry","2009","74","","5276","5289","10.1021/jo900706x","","","0.7107","MoKα","","0.0607","0.0384","","","0.0884","0.1057","","","","","","1.057","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024679","7.831","0.0003","16.8429","0.0007","25.4999","0.001","105.879","0.0017","91.7001","0.0017","97.8616","0.0016","3196.6","0.2","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 N4 O -","- C40 H36 N4 O -","- C160 H144 N16 O4 -","4","2","","Olga Mass; Marcin Ptaszek; Masahiko Taniguchi; James R. Diers; Hooi Ling Kee; David F. Bocian; Dewey Holten; Jonathan S. Lindsey","Synthesis and Photochemical Properties of 12-Substituted versus 13-Substituted Chlorins","Journal of Organic Chemistry","2009","74","","5276","5289","10.1021/jo900706x","","","0.71073","MolybdenumKα","","0.086","0.062","","0.074","","0.073","","","","","","2.23","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4024680","7.5931","0.0002","11.5663","0.0004","11.808","0.0004","100.717","0.0018","91.5492","0.0018","108.88","0.0018","959.87","0.05","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C22 H16 Br2 N4 Zn -","- C22 H16 Br2 N4 Zn -","- C44 H32 Br4 N8 Zn2 -","2","1","","Olga Mass; Marcin Ptaszek; Masahiko Taniguchi; James R. Diers; Hooi Ling Kee; David F. Bocian; Dewey Holten; Jonathan S. Lindsey","Synthesis and Photochemical Properties of 12-Substituted versus 13-Substituted Chlorins","Journal of Organic Chemistry","2009","74","","5276","5289","10.1021/jo900706x","","","0.71073","MoKα","","0.1011","0.0493","","","0.1138","0.1415","","","","","","1.05","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024681","8.4774","0.0004","9.5633","0.0004","17.0559","0.0007","82.9163","0.0019","76.5219","0.0018","87.362","0.0019","1334.19","0.1","110","","110","","","","","","","","","5","P -1","-P 1","2","","","","- C31 H27 Br N4 Zn -","- C31 H27 Br N4 Zn -","- C62 H54 Br2 N8 Zn2 -","2","1","","Olga Mass; Marcin Ptaszek; Masahiko Taniguchi; James R. Diers; Hooi Ling Kee; David F. Bocian; Dewey Holten; Jonathan S. Lindsey","Synthesis and Photochemical Properties of 12-Substituted versus 13-Substituted Chlorins","Journal of Organic Chemistry","2009","74","","5276","5289","10.1021/jo900706x","","","0.71073","MolybdenumKα","","0.085","0.054","","0.052","","0.052","","","","","","1.9","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4024682","13.0276","0.0004","29.0931","0.0008","12.4038","0.0004","90","","100.201","0.001","90","","4626.9","0.2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C40 H36 N4 O Zn -","- C40 H36 N4 O Zn -","- C160 H144 N16 O4 Zn4 -","4","1","","Olga Mass; Marcin Ptaszek; Masahiko Taniguchi; James R. Diers; Hooi Ling Kee; David F. Bocian; Dewey Holten; Jonathan S. Lindsey","Synthesis and Photochemical Properties of 12-Substituted versus 13-Substituted Chlorins","Journal of Organic Chemistry","2009","74","","5276","5289","10.1021/jo900706x","","","0.71073","MolybdenumKα","","0.075","0.054","","0.088","","0.062","","","","","","1.76","","","","has coordinates","192276","2020-10-21","18:00:00",""
"4024683","8.7052","0.001","9.854","0.0012","18.635","0.002","99.85","0.002","97.48","0.002","104.845","0.002","1496.8","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H30 O6 S4 -","- C28 H30 O6 S4 -","- C56 H60 O12 S8 -","2","1","","Yu-Long Zhao; Li Chen; Shao-Chun Yang; Cui Tian; Qun Liu","A Synthetic Strategy for Polyfunctionalized Bicyclo[3.3.1]nonanes Based on a Tandem Three-Component [3 + 2] Cycloaddition of α-Cinnamoyl Ketene-S,S-acetals with Oxalyl Chloride","Journal of Organic Chemistry","2009","74","","5622","5625","10.1021/jo900764s","","","0.71073","MoKα","","0.0949","0.0627","","","0.1419","0.1648","","","","","","1.03","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024684","17.519","0.004","9.402","0.0019","20.893","0.004","90","","97.238","0.004","90","","3414","1.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H38 O4 S4 -","- C34 H38 O4 S4 -","- C136 H152 O16 S16 -","4","1","","Yu-Long Zhao; Li Chen; Shao-Chun Yang; Cui Tian; Qun Liu","A Synthetic Strategy for Polyfunctionalized Bicyclo[3.3.1]nonanes Based on a Tandem Three-Component [3 + 2] Cycloaddition of α-Cinnamoyl Ketene-S,S-acetals with Oxalyl Chloride","Journal of Organic Chemistry","2009","74","","5622","5625","10.1021/jo900764s","","","0.71073","MoKα","","0.1583","0.1054","","","0.3049","0.3612","","","","","","1.027","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024685","8.8159","0.0018","10.764","0.002","22.427","0.005","90","","90","","90","","2128.1","0.8","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 O4 -","- C26 H26 O4 -","- C104 H104 O16 -","4","1","","Douglass F. Taber; Peiming Gu; Rui Li","A Divergent Synthesis of the Δ13-9-Isofurans","Journal of Organic Chemistry","2009","74","","5516","5522","10.1021/jo900767x","","","0.71073","MoKα","","0.0596","0.0481","","","0.108","0.1148","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024686","15.9749","0.0002","16.4925","0.0003","27.4117","0.0006","81.5285","0.0007","82.2566","0.0007","89.0766","0.0014","7078.1","0.2","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C18 H14 Cl F3 N2 O2 -","- C18 H13.75 Cl F3 N2 O2 -","- C288 H220 Cl16 F48 N32 O32 -","16","8","","Yujie Zhao; Adelbert Bacher; Boris Illarionov; Markus Fischer; Gunda Georg; Qi-Zhuang Ye; Phillip E. Fanwick; Scott G. Franzblau; Baojie Wan; Mark Cushman","Discovery and Development of the Covalent Hydrates of Trifluoromethylated Pyrazoles as Riboflavin Synthase Inhibitors with Antibiotic Activity Against Mycobacterium tuberculosis","Journal of Organic Chemistry","2009","74","","5297","5303","10.1021/jo900768c","","","0.71073","MO-Kα","","0.113","0.075","","","0.123","0.136","","","","","","1.111","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024687","13.0847","0.0002","8.9796","0.0001","15.6906","0.0003","90","","92.3403","0.0009","90","","1842.04","0.05","200","","200","","","","","","","","from UoW","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H25 N O3 Si -","- C18 H25 N O3 Si -","- C72 H100 N4 O12 Si4 -","4","1","","Jasmine C. Jury; Nalivela Kumara Swamy; Arife Yazici; Anthony C. Willis; Stephen G. Pyne","Metal-Catalyzed Cycloisomerization Reactions of cis-4-Hydroxy-5-alkynylpyrrolidinones and cis-5-Hydroxy-6-alkynylpiperidinones: Synthesis of Furo[3,2-b]pyrroles and Furo[3,2-b]pyridines","Journal of Organic Chemistry","2009","74","","5523","5527","10.1021/jo9007942","","","0.71073","MoKα","","0.0463","0.0337","","0.0937","0.0906","0.0937","","","","","","0.9169","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024688","5.886","0.002","12.116","0.005","23.233","0.005","90","","94.828","0.005","90","","1651","1","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","benzyl (S)-6-(((S)-2-oxooxazolidin-4-yl)methyl)-1,4,5,6- tetrahydropyrimidin-2-ylcarbamate","","- C16 H20 N4 O4 -","- C16 H20 N4 O4 -","- C64 H80 N16 O16 -","4","2","","Meryem Benohoud; Loïc Leman; Silvia H. Cardoso; Pascal Retailleau; Philippe Dauban; Josiane Thierry; Robert H. Dodd","Total Synthesis and Absolute Configuration of the Natural Amino Acid Tetrahydrolathyrine","Journal of Organic Chemistry","2009","74","","5331","5336","10.1021/jo900800x","","","0.71069","MoKα","","0.0944","0.0524","","","0.1161","0.1406","","","","","","1.077","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024689","8.7724","0.001","9.0521","0.001","15.5733","0.0017","85.833","0.002","81.05","0.002","74.247","0.002","1175.1","0.2","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C25 H32 O4 -","- C25 H32 O4 -","- C50 H64 O8 -","2","1","","Yebing Zhou; Jingjin Chen; Chunbin Zhao; Erjuan Wang; Yuanhong Liu; Yuxue Li","Stereoselective Synthesis of β-Hydroxyallenes with Multiple Contiguous Stereogenic Centers via Aldehyde Addition to α-Alkenyl-Substituted Zirconacyclopentenes","Journal of Organic Chemistry","2009","74","","5326","5330","10.1021/jo900808k","","","0.71073","MoKα","","0.1391","0.0619","","","0.1309","0.1635","","","","","","0.873","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024690","16.892","0.003","5.298","0.0009","25.513","0.005","90","","108.086","0.004","90","","2170.4","0.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H29 Cl O -","- C24 H29 Cl O -","- C96 H116 Cl4 O4 -","4","1","","Yebing Zhou; Jingjin Chen; Chunbin Zhao; Erjuan Wang; Yuanhong Liu; Yuxue Li","Stereoselective Synthesis of β-Hydroxyallenes with Multiple Contiguous Stereogenic Centers via Aldehyde Addition to α-Alkenyl-Substituted Zirconacyclopentenes","Journal of Organic Chemistry","2009","74","","5326","5330","10.1021/jo900808k","","","0.71073","MoKα","","0.1583","0.0626","","","0.1343","0.164","","","","","","0.789","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024691","16.666","0.003","5.308","0.0008","24.818","0.004","90","","91.574","0.004","90","","2194.7","0.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H29 Cl O -","- C24 H29 Cl O -","- C96 H116 Cl4 O4 -","4","1","","Yebing Zhou; Jingjin Chen; Chunbin Zhao; Erjuan Wang; Yuanhong Liu; Yuxue Li","Stereoselective Synthesis of β-Hydroxyallenes with Multiple Contiguous Stereogenic Centers via Aldehyde Addition to α-Alkenyl-Substituted Zirconacyclopentenes","Journal of Organic Chemistry","2009","74","","5326","5330","10.1021/jo900808k","","","0.71073","MoKα","","0.1613","0.0806","","","0.2062","0.2466","","","","","","0.921","","","","has coordinates,has disorder","178425","2020-10-21","18:00:00",""
"4024692","7.5823","0.0007","8.0179","0.0007","28.521","0.003","90","","90","","90","","1733.9","0.3","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H20 O7 -","- C18 H20 O7 -","- C72 H80 O28 -","4","1","","Girish K. Rawal; Shikha Rani; Nitee Kumari; Yashwant D. Vankar","Regio- and Stereocontrolled Selective Debenzylation and Substitution Reactions of C-2 Formyl Glycals. Application in the Synthesis of Constrained β-Sugar Amino Acids","Journal of Organic Chemistry","2009","74","","5349","5355","10.1021/jo9008222","","","0.71073","MoKα","","0.0654","0.0513","","","0.1047","0.1111","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024693","8.8702","0.0011","5.7173","0.0007","17.763","0.002","90","","100.694","0.002","90","","885.17","0.19","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H22 O5 -","- C21 H22 O5 -","- C42 H44 O10 -","2","1","","Girish K. Rawal; Shikha Rani; Nitee Kumari; Yashwant D. Vankar","Regio- and Stereocontrolled Selective Debenzylation and Substitution Reactions of C-2 Formyl Glycals. Application in the Synthesis of Constrained β-Sugar Amino Acids","Journal of Organic Chemistry","2009","74","","5349","5355","10.1021/jo9008222","","","0.71073","MoKα","","0.049","0.0456","","","0.1018","0.1045","","","","","","1.028","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024694","11.534","0.002","9.6312","0.0018","11.875","0.002","90","","118.994","0.003","90","","1153.8","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H29 N O8 -","- C22 H29 N O8 -","- C44 H58 N2 O16 -","2","1","","Girish K. Rawal; Shikha Rani; Nitee Kumari; Yashwant D. Vankar","Regio- and Stereocontrolled Selective Debenzylation and Substitution Reactions of C-2 Formyl Glycals. Application in the Synthesis of Constrained β-Sugar Amino Acids","Journal of Organic Chemistry","2009","74","","5349","5355","10.1021/jo9008222","","","0.71073","MoKα","","0.069","0.0555","","","0.1131","0.1183","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024695","15.3","0.002","15.3","0.002","14.684","0.003","90","","90","","90","","3437.4","1","113","2","113","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C37 H49 N7 O8 -","- C37 H49 N7 O8 -","- C148 H196 N28 O32 -","4","0.25","","Bo Yao; De-Xian Wang; Han-Yuan Gong; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Reactions of NH-Bridged Calix[m]arene[n]pyridines","Journal of Organic Chemistry","2009","74","","5361","5368","10.1021/jo900826n","","","0.71073","MoKα","","0.0512","0.047","","","0.1156","0.119","","","","","","1.075","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024696","8.3972","0.0017","10.175","0.002","21.221","0.004","98.76","0.03","101.25","0.03","97.86","0.03","1731.5","0.6","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C22 H18 N6 -","- C22 H18 N6 -","- C88 H72 N24 -","4","2","","Bo Yao; De-Xian Wang; Han-Yuan Gong; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Reactions of NH-Bridged Calix[m]arene[n]pyridines","Journal of Organic Chemistry","2009","74","","5361","5368","10.1021/jo900826n","","","0.71073","MoKα","","0.0829","0.0627","","","0.1436","0.1529","","","","","","1.123","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024697","9.4503","0.0019","25.929","0.005","23.646","0.005","90","","96.66","0.03","90","","5755","2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H34 N6 O4 -","- C32 H34 N6 O4 -","- C256 H272 N48 O32 -","8","2","","Bo Yao; De-Xian Wang; Han-Yuan Gong; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Reactions of NH-Bridged Calix[m]arene[n]pyridines","Journal of Organic Chemistry","2009","74","","5361","5368","10.1021/jo900826n","","","0.71073","MoKα","","0.1167","0.0571","","","0.1195","0.1407","","","","","","0.945","","","","has coordinates","178425","2020-10-21","18:00:00",""
"4024698","9.391","0.0019","11.235","0.002","15.836","0.003","78.3","0.03","86.16","0.03","67.25","0.03","1508.7","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H35 N7 O5 -","- C31 H35 N7 O5 -","- C62 H70 N14 O10 -","2","1","","Bo Yao; De-Xian Wang; Han-Yuan Gong; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis, Structure, and Reactions of NH-Bridged Calix[m]arene[n]pyridines","Journal of Organic Chemistry","2009","74","","5361","5368","10.1021/jo900826n","","","0.71073","MoKα","","0.2779","0.14","","","0.1588","0.1929","","","","","","1.19","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024699","8.654","0.003","9.142","0.003","13.383","0.004","89.696","0.003","71.752","0.003","65.373","0.003","904.4","0.5","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H21 N O3 -","- C24 H21 N O3 -","- C48 H42 N2 O6 -","2","1","","Akio Saito; Jun Kasai; Yu Odaira; Haruhiko Fukaya; Yuji Hanzawa","Synthesis of 2,3-Dihydroquinolin-4(1H)-ones through Catalytic Metathesis of o-Alkynylanilines and Aldehydes","Journal of Organic Chemistry","2009","74","","5644","5647","10.1021/jo900857c","","","0.71073","MoKα","","0.0555","0.0474","","","0.1268","0.1336","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024700","17.2552","0.0015","6.9174","0.0006","17.6626","0.0016","90","","110.884","0.001","90","","1969.7","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br O4 P -","- C21 H20 Br O4 P -","- C84 H80 Br4 O16 P4 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0707","0.0459","","","0.1169","0.1357","","","","","","1.086","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024701","17.0547","0.0018","8.954","0.0009","12.7659","0.0013","90","","96.655","0.002","90","","1936.3","0.3","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Br O4 P -","- C21 H20 Br O4 P -","- C84 H80 Br4 O16 P4 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0465","0.0348","","","0.0884","0.1027","","","","","","1.133","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024702","30.604","0.006","9.531","0.0019","11.84","0.002","90","","109.73","0.03","90","","3251","1.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H21 O5 P -","- C16 H21 O5 P -","- C128 H168 O40 P8 -","8","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0541","0.049","","","0.1393","0.1433","","","","","","1.036","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024703","20.99","0.004","7.0721","0.0014","10.64","0.002","90","","90","","90","","1579.5","0.5","293","2","293","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C16 H19 O4 P -","- C16 H19 O4 P -","- C64 H76 O16 P4 -","4","0.5","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0542","0.0436","","","0.1133","0.1205","","","","","","1.081","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024704","21.347","0.002","21.347","0.002","7.5132","0.0016","90","","90","","90","","3423.6","0.9","296","2","296","2","","","","","","","","5","I -4","I -4","82","","","","- C16 H20 Br O5 P -","- C16 H20 Br O5 P -","- C128 H160 Br8 O40 P8 -","8","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0511","0.0458","","","0.1168","0.1204","","","","","","1.055","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024705","17.335","0.003","7.6229","0.0012","13.737","0.002","90","","90","","90","","1815.3","0.5","273","2","273","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C11 H12 O2 -","- C11 H12 O2 -","- C88 H96 O16 -","8","2","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0708","0.0679","","","0.1567","0.1592","","","","","","1.242","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024706","19.371","0.005","6.0598","0.0014","14.782","0.003","90","","109.126","0.004","90","","1639.4","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 Br O4 P -","- C16 H18 Br O4 P -","- C64 H72 Br4 O16 P4 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0845","0.0432","","","0.0928","0.1258","","","","","","0.912","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024707","12.5236","0.0011","12.5105","0.0011","11.2515","0.001","90","","96.748","0.001","90","","1750.6","0.3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 O5 P -","- C17 H23 O5 P -","- C68 H92 O20 P4 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0574","0.047","","","0.122","0.1279","","","","","","1.062","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024708","13.137","0.003","6.3248","0.0016","24.567","0.006","90","","98.279","0.004","90","","2019.9","0.9","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H23 O5 P -","- C21 H23 O5 P -","- C84 H92 O20 P4 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0824","0.0634","","","0.134","0.1429","","","","","","1.145","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024709","20.479","0.004","14.045","0.003","5.5773","0.0011","90","","90","","90","","1604.2","0.6","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O2 -","- C19 H20 O2 -","- C76 H80 O8 -","4","1","","N. N. Bhuvan Kumar; M. Nagarjuna Reddy; K. C. Kumara Swamy","Reactivity of Allenylphosphonates toward Salicylaldehydes and Activated Phenols: Facile Synthesis of Chromenes and Substituted Butadienes","Journal of Organic Chemistry","2009","74","","5395","5404","10.1021/jo900896v","","","0.71073","MoKα","","0.0819","0.0745","","","0.1416","0.1435","","","","","","1.43","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024710","8.06","0.002","8.128","0.002","20.018","0.006","89.896","0.004","81.309","0.004","73.202","0.004","1239.8","0.6","150","2","150","2","","","","","","","","4","P 1","P 1","1","","","","- C25 H32 O4.5 Si -","- C25 H32 O4.5 Si -","- C50 H64 O9 Si2 -","2","2","","Lauren E. Brown; Yakira R. Landaverry; James R. Davies; Kristin A. Milinkevich; Sandra Ast; Joseph S. Carlson; Allen G. Oliver; Joseph P. Konopelski","Progress toward the Total Synthesis of Psymberin/Irciniastatin A","Journal of Organic Chemistry","2009","74","","5405","5410","10.1021/jo9009003","","","0.71073","MoKα","","0.087","0.054","","","0.1109","0.1268","","","","","","1.028","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024711","14.13","0.003","10.583","0.002","21.383","0.004","90","","90.471","0.003","90","","3197.3","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H40 Cl6 Cu N2 -","- C28 H40 Cl6 Cu N2 -","- C112 H160 Cl24 Cu4 N8 -","4","1","","Tamas Benkovics; Juana Du; Ilia A. Guzei; Tehshik P. Yoon","Anionic Halocuprate(II) Complexes as Catalysts for the Oxaziridine-Mediated Aminohydroxylation of Olefins","Journal of Organic Chemistry","2009","74","","5545","5552","10.1021/jo900902k","","","0.71073","Mo-Kα","","0.0976","0.0446","","","0.0994","0.1311","","","","","","1.05","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024712","22.916","0.006","27.217","0.009","7.899","0.002","90","","90","","90","","4927","2","103","2","103","0.1","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C28 H28 N2 O5 S -","- C28 H28 N2 O5 S -","- C224 H224 N16 O40 S8 -","8","1","","Tamas Benkovics; Juana Du; Ilia A. Guzei; Tehshik P. Yoon","Anionic Halocuprate(II) Complexes as Catalysts for the Oxaziridine-Mediated Aminohydroxylation of Olefins","Journal of Organic Chemistry","2009","74","","5545","5552","10.1021/jo900902k","","","1.54184","Cu-Kα","","0.0401","0.0346","","","0.087","0.0904","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024713","9.4899","0.0005","10.8273","0.0006","16.5506","0.0009","90","","90","","90","","1700.57","0.16","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 Cl N O2 -","- C20 H20 Cl N O2 -","- C80 H80 Cl4 N4 O8 -","4","1","","Hua Yang; Rich G. Carter","Asymmetric Construction of Nitrogen-Containing [2.2.2] Bicyclic Scaffolds Using N-(p-Dodecylphenylsulfonyl)-2-pyrrolidinecarboxamide","Journal of Organic Chemistry","2009","74","","5151","5156","10.1021/jo9009062","","","0.71073","MoKα","","0.036","0.0333","","","0.0841","0.0866","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024714","11.8419","0.0009","7.8205","0.0006","18.3084","0.0014","90","","106.677","0.001","90","","1624.2","0.2","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H24 Cl N O -","- C19 H24 Cl N O -","- C76 H96 Cl4 N4 O4 -","4","2","","Hua Yang; Rich G. Carter","Asymmetric Construction of Nitrogen-Containing [2.2.2] Bicyclic Scaffolds Using N-(p-Dodecylphenylsulfonyl)-2-pyrrolidinecarboxamide","Journal of Organic Chemistry","2009","74","","5151","5156","10.1021/jo9009062","","","0.71073","MoKα","","0.0298","0.0288","","","0.0736","0.0746","","","","","","1.045","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024715","11.7327","","13.6679","0.0006","28.761","0.002","90","","90","","90","","4612.2","0.4","200","","","","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C20 H26 F3 N5 O3 S -","- C20 H26 F3 N5 O3 S -","- C160 H208 F24 N40 O24 S8 -","8","1","","Horacio Comas; Gérald Bernardinelli; Dominique Swinnen","A Straightforward, One-Pot Protocol for the Synthesis of Fused 3-Aminotriazoles","Journal of Organic Chemistry","2009","74","","5553","5558","10.1021/jo9009084","","","0.71073","MoKα","","","0.046","","","","0.042","","","","","","1.38","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024716","12.99","0.02","11.142","0.017","22.53","0.03","90","","97.03","0.02","90","","3235","9","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H38 Al N O5 -","- C35 H38 Al N O5 -","- C140 H152 Al4 N4 O20 -","4","1","","Steven M. Raders; John G. Verkade","Catalysis of Mukaiyama Aldol Reactions by a Tricyclic Aluminum Alkoxide Lewis Acid","Journal of Organic Chemistry","2009","74","","5417","5428","10.1021/jo9009134","","","0.71073","MoKα","","0.0914","0.06","","","0.1671","0.1953","","","","","","1.05","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024717","11.159","0.004","15.333","0.006","21.909","0.008","80.131","0.006","89.476","0.007","85.057","0.007","3679","2","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C40 H53 Al N O4 P -","- C40 H53 Al N O4 P -","- C160 H212 Al4 N4 O16 P4 -","4","2","","Steven M. Raders; John G. Verkade","Catalysis of Mukaiyama Aldol Reactions by a Tricyclic Aluminum Alkoxide Lewis Acid","Journal of Organic Chemistry","2009","74","","5417","5428","10.1021/jo9009134","","","0.71073","MoKα","","0.137","0.0753","","","0.1822","0.2244","","","","","","1.027","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024718","7.809","0.0005","21.1057","0.0012","12.498","0.0007","90","","102.649","0.001","90","","2009.9","0.2","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H22 O3 Si -","- C22 H22 O3 Si -","- C88 H88 O12 Si4 -","4","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0759","0.0641","","","0.1291","0.1326","","","","","","1.274","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024719","9.1222","0.0005","14.0046","0.0008","16.0182","0.0009","90","","90","","90","","2046.4","0.2","200","1","200","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H28 O4 Si -","- C23 H28 O4 Si -","- C92 H112 O16 Si4 -","4","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0432","0.0393","","","0.0669","0.0674","","","","","","1.664","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024720","7.6476","0.0004","14.7947","0.0008","19.1298","0.0011","90","","97.29","0.001","90","","2146.9","0.2","180","1","180","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 O6 Si -","- C23 H30 O6 Si -","- C92 H120 O24 Si4 -","4","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0492","0.0425","","","0.1007","0.1018","","","","","","1.972","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024721","17.0031","0.0005","10.8154","0.0003","12.0798","0.0004","90","","122.394","0.002","90","","1875.73","0.1","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C22 H24 O5 Si -","- C22 H24 O5 Si -","- C88 H96 O20 Si4 -","4","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0356","0.0346","","","0.0717","0.072","","","","","","1.468","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024722","13.0556","0.0008","17.6768","0.001","29.0774","0.0017","90","","94.934","0.001","90","","6685.7","0.7","180","2","180","2","","","","","","","","6","I 1 2/a 1","-I 2ya","15","","","","- C26.5 H30 Cl3 N2 O10 Os -","- C26.5 H30 Cl3 N2 O10 Os -","- C212 H240 Cl24 N16 O80 Os8 -","8","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0725","0.0508","","","0.1226","0.1259","","","","","","1.503","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024723","21.5067","0.0017","16.3341","0.0013","26.994","0.002","90","","90","","90","","9482.9","1.3","180","2","180","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C43 H46 N4 O15 Os2 -","- C43 H46 N4 O15 Os2 -","- C344 H368 N32 O120 Os16 -","8","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.1109","0.0691","","","0.1116","0.1178","","","","","","1.289","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024724","9.005","0.003","11.524","0.004","13.821","0.004","90.433","0.006","95.747","0.006","98.889","0.005","1409.6","0.8","200","2","200","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H22 Cl2 N2 O8 Os -","- C30 H22 Cl2 N2 O9 Os -","- C60 H44 Cl4 N4 O18 Os2 -","2","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.1029","0.0791","","","0.154","0.1592","","","","","","1.489","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024725","7.7207","0.0018","9.454","0.002","10.226","0.002","105.303","0.006","92.306","0.006","101.349","0.005","702.5","0.3","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H12 O5 -","- C19 H12 O5 -","- C38 H24 O10 -","2","1","","Yunhui Lang; Fabio E. S. Souza; Xinshe Xu; Nicholas J. Taylor; Abdeljalil Assoud; Russell Rodrigo","Pentacyclic Furanosteroids: The Synthesis of Potential Kinase Inhibitors Related to Viridin and Wortmannolone","Journal of Organic Chemistry","2009","74","","5429","5439","10.1021/jo900922q","","","0.71073","MoKα","","0.0926","0.0583","","","0.0683","0.0719","","","","","","1.39","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024726","5.9142","0.0012","16.624","0.003","18.475","0.004","90","","90","","90","","1816.4","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H25 N O7 S -","- C15 H25 N O7 S -","- C60 H100 N4 O28 S4 -","4","1","","Chun-Ling Gu; Li Liu; Dong Wang; Yong-Jun Chen","Tunable and Highly Regio- and Diastereoselective Vinylogous Mannich-Type Reaction of Dioxinone-Derived Silyl Dienolate","Journal of Organic Chemistry","2009","74","","5754","5757","10.1021/jo900977y","","","0.71073","MoKα","","0.0634","0.0518","","","0.1529","0.1909","","","","","","1.246","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024727","12.3355","0.0002","16.4408","0.0002","27.3926","0.0004","90","","90","","90","","5555.37","0.14","173","2","173","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C62 H67 Cl2 N2 O11 P -","- C62 H67 Cl2 N2 O11 P -","- C248 H268 Cl8 N8 O44 P4 -","4","1","","Prasad L. Polavarapu; Ana G. Petrovic; Sarah E. Vick; William D. Wulff; Hong Ren; Zhensheng Ding; Richard J. Staples","Absolute Configuration of 3,3'-Diphenyl-[2,2'-binaphthalene]-1,1'-diol Revisited","Journal of Organic Chemistry","2009","74","","5451","5457","10.1021/jo901013z","","x-ray","1.54178","CuKα","","0.0848","0.0701","","","0.1803","0.1918","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024728","10.0581","0.0003","10.0142","0.0002","16.9881","0.0004","90","","102.356","0.003","90","","1671.47","0.07","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 B F2 N2 -","- C9 H7 B F2 N2 -","- C72 H56 B8 F16 N16 -","8","1","","Ismael J. Arroyo; Rongrong Hu; Gabriel Merino; Ben Zhong Tang; Eduardo Peña-Cabrera","The Smallest and One of the Brightest. Efficient Preparation and Optical Description of the Parent Borondipyrromethene System","Journal of Organic Chemistry","2009","74","","5719","5722","10.1021/jo901014w","","","1.54178","CuKα","","0.0329","0.0309","","","0.1066","0.1101","","","","","","0.99","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024729","12.597","0.0005","7.0432","0.0003","14.9624","0.0006","90","","110.415","0.001","90","","1244.13","0.09","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H38 O6 -","- C26 H38 O6 -","- C52 H76 O12 -","2","1","","Olivier Corminboeuf; Larry E. Overman; Lewis D. Pennington","A Unified Strategy for Enantioselective Total Synthesis of Cladiellin and Briarellin Diterpenes: Total Synthesis of Briarellins E and F and the Putative Structure of Alcyonin and Revision of Its Structure Assignment","Journal of Organic Chemistry","2009","74","","5458","5470","10.1021/jo9010156","","","0.71073","MoKα","","0.0693","0.0409","","","0.071","0.0809","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024730","18.7017","0.0009","5.9044","0.0003","9.0335","0.0005","90","","95.768","0.001","90","","992.45","0.09","163","2","163","2","","","","","","","","3","C 1 2 1","C 2y","5","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","1","","Olivier Corminboeuf; Larry E. Overman; Lewis D. Pennington","A Unified Strategy for Enantioselective Total Synthesis of Cladiellin and Briarellin Diterpenes: Total Synthesis of Briarellins E and F and the Putative Structure of Alcyonin and Revision of Its Structure Assignment","Journal of Organic Chemistry","2009","74","","5458","5470","10.1021/jo9010156","","","0.71073","MoKα","","0.0354","0.0318","","","0.0815","0.0838","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024731","8.7131","0.001","8.9587","0.0011","12.5043","0.0015","90","","90","","90","","976.1","0.2","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C10 H18 O2 -","- C10 H18 O2 -","- C40 H72 O8 -","4","1","","Olivier Corminboeuf; Larry E. Overman; Lewis D. Pennington","A Unified Strategy for Enantioselective Total Synthesis of Cladiellin and Briarellin Diterpenes: Total Synthesis of Briarellins E and F and the Putative Structure of Alcyonin and Revision of Its Structure Assignment","Journal of Organic Chemistry","2009","74","","5458","5470","10.1021/jo9010156","","","0.71073","MoKα","","0.0633","0.0547","","","0.1469","0.1567","","","","","","1.101","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024732","20.7647","0.0012","9.8833","0.0006","17.6665","0.001","90","","108.686","0.001","90","","3434.5","0.3","150","2","150","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H26 Cl F17 N2 O6 -","- C30 H26 Cl F17 N2 O6 -","- C120 H104 Cl4 F68 N8 O24 -","4","1","","Krishnan Damodaran; Simon D. Nielsen; Steven J. Geib; Wei Zhang; Yimin Lu; Dennis P. Curran","Aryl-Csp3 Bond Rotation Barriers of 2-Aryl Perhydropyrrolo[3,4-c]pyrrole-1,3-diones","Journal of Organic Chemistry","2009","74","","5481","5485","10.1021/jo901123c","","","0.71073","MoKα","","0.1256","0.0643","","","0.163","0.1825","","","","","","0.973","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024733","10.4794","0.0011","10.5119","0.0012","11.4317","0.0012","92.03","0.002","106.955","0.002","114.73","0.002","1076","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N3 O5 -","- C23 H29 N3 O5 -","- C46 H58 N6 O10 -","2","1","","Krishnan Damodaran; Simon D. Nielsen; Steven J. Geib; Wei Zhang; Yimin Lu; Dennis P. Curran","Aryl-Csp3 Bond Rotation Barriers of 2-Aryl Perhydropyrrolo[3,4-c]pyrrole-1,3-diones","Journal of Organic Chemistry","2009","74","","5481","5485","10.1021/jo901123c","","","0.71073","MoKα","","0.099","0.0552","","","0.1239","0.143","","","","","","0.885","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024734","8.2236","0.0007","20.444","0.003","38.045","0.005","90","","90","","90","","6396.3","1.4","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C31 H50 N O3 S Sn -","- C31 H50 N O3 S Sn -","- C248 H400 N8 O24 S8 Sn8 -","8","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.155","0.0982","","","0.1648","0.1802","","","","2.1","2.1","1.93","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024735","7.8641","0.0007","20.288","0.002","38.732","0.003","90","","90","","90","","6179.6","1","120","","120","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C30 H47 N O3 S Sn -","- C30 H47 N O3 S Sn -","- C240 H376 N8 O24 S8 Sn8 -","8","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.046","0.0361","","","0.0847","0.09","","","","1.39","1.39","1.4","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024736","7.5154","0.0012","15.5547","0.0017","49.389","0.005","90","","90","","90","","5773.6","1.3","100","","293","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 N2 O5 S Sn -","- C27 H40 N2 O5 S Sn -","- C216 H320 N16 O40 S8 Sn8 -","8","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.0517","0.0435","","","0.1083","0.114","","","","1.89","1.89","1.9","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024737","15.4125","0.0018","8.1024","0.0006","24.215","0.002","90","","90.175","0.011","90","","3023.9","0.5","100","","100","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C28 H51 N O3 S Sn -","- C28 H51 N O3 S Sn -","- C112 H204 N4 O12 S4 Sn4 -","4","2","","Vincent Coeffard; Erwan Le Grognec; Isabelle Beaudet; Michel Evain; Jean-Paul Quintard","Synthesis of Highly Enantioenriched Chiral α-Aminoorganotins via Diastereoselective Ring Opening of Chiral N-(Arenesulfonyl) 2-Tributylstannyloxazolidines","Journal of Organic Chemistry","2009","74","","5822","5838","10.1021/jo900223k","","","0.71069","MoKα","","0.0583","0.0449","","","0.0947","0.1015","","","","1.31","1.31","1.32","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024738","10.5722","0.0003","20.8611","0.0006","21.2475","0.0005","90","","90","","90","","4686.1","0.2","100","","100","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C180 H264 N24 O24 -","12","3","","Andrei V. Malkov; Kvetoslava Vranková; Sigitas Stončius; Pavel Kočovský","Asymmetric Reduction of Imines with Trichlorosilane, Catalyzed by Sigamide, an Amino Acid-Derived Formamide: Scope and Limitations","Journal of Organic Chemistry","2009","74","","5839","5849","10.1021/jo900561h","","","0.71073","MoKα","","0.0907","0.0735","","0.1953","0.1865","0.1953","","","","","","0.9865","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024739","12.1625","0.0006","9.7135","0.0005","14.2905","0.0006","90","","109.154","0.003","90","","1594.82","0.14","100","","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O2 -","- C16 H24 N2 O2 -","- C64 H96 N8 O8 -","4","1","","Andrei V. Malkov; Kvetoslava Vranková; Sigitas Stončius; Pavel Kočovský","Asymmetric Reduction of Imines with Trichlorosilane, Catalyzed by Sigamide, an Amino Acid-Derived Formamide: Scope and Limitations","Journal of Organic Chemistry","2009","74","","5839","5849","10.1021/jo900561h","","","0.71073","MoKα","","0.0724","0.0429","","0.1135","0.1061","0.1135","","","","","","0.8266","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024740","5.9212","0.0008","9.7223","0.0013","14.6666","0.0019","96.694","0.002","97.449","0.002","100.456","0.002","814.75","0.19","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H13 Cl N2 O2 -","- C19 H13 Cl N2 O2 -","- C38 H26 Cl2 N4 O4 -","2","1","","Xiang-Ying Tang; Min Shi","An Efficient Route to 2-Substituted N-(1-Amino-3-methylpyrrol)amides by Ring-Opening Cyclization of Benzylidene- and Alkylidenecyclopropylcarbaldehydes with Hydrazides","Journal of Organic Chemistry","2009","74","","5983","5986","10.1021/jo900730t","","","0.71073","MoKα","","0.063","0.0576","","","0.1525","0.1575","","","","","","1.049","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024741","10.4164","0.0003","17.5391","0.0005","21.0938","0.0006","90","","90","","90","","3853.72","0.19","100","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C160 H200 N8 O48 -","8","2","","O. Andrea Wong; Bin Wang; Mei-Xin Zhao; Yian Shi","Asymmetric Epoxidation Catalyzed by α,α-Dimethylmorpholinone Ketone. Methyl Group Effect on Spiro and Planar Transition States","Journal of Organic Chemistry","2009","74","","6335","6338","10.1021/jo900739q","","","0.71073","MoKα","","0.0936","0.0529","","","0.1397","0.1812","","","","","","0.752","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024742","10.597","0.0004","11.468","0.0005","13.469","0.0007","101.774","0.0018","101.791","0.0016","97.419","0.0019","1543.47","0.12","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H34 N8 O2 -","- C34 H34 N8 O2 -","- C68 H68 N16 O4 -","2","1","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71073","MoKα","","0.0851","0.0524","","","0.1257","0.1432","","","","","","0.992","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024743","12.199","0.003","11.393","0.005","21.935","0.005","90","","90.77","0.03","90","","3048.3","1.7","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 N8 O2 -","- C34 H46 N8 O2 -","- C136 H184 N32 O8 -","4","0.5","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71073","MoKα","","0.121","0.0851","","","0.2071","0.2205","","","","","","1.012","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024744","9.857","0.0014","10.348","0.0013","14.654","0.002","83.814","0.004","84.734","0.004","77.178","0.006","1445.4","0.3","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C52 H62 Br4 N10 O8 Si2 -","- C52 H62 Br4 N10 O8 Si2 -","- C52 H62 Br4 N10 O8 Si2 -","1","0.5","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71073","MoKα","","0.1087","0.0617","","","0.1517","0.1784","","","","","","1.058","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024745","27.784","0.0018","27.784","0.0018","21.975","0.0013","90","","90","","90","","16963.6","1.9","293","2","295","2","","","","","","","","5","I 41/a :2","-I 4ad","88","","","","- C38 H30 Br4 N10 O4 -","- C38 H30 Br4 N10 O4 -","- C608 H480 Br64 N160 O64 -","16","1","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71073","MoKα","","0.1336","0.0899","","","0.2017","0.2214","","","","","","1.062","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024746","14.476","0.012","14.203","0.012","14.986","0.013","90","","113.122","0.037","90","","2833.7","4.2","295","2","295","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C25 H28 Br2 N5 O3 Si -","- C25 H28 Br2 N5 O3 Si -","- C100 H112 Br8 N20 O12 Si4 -","4","1","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71069","MoKα","","0.1206","0.0728","","","0.2129","0.2384","","","","","","1.064","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024747","10.888","0.005","15.141","0.005","19.004","0.005","77.543","0.005","89.825","0.005","73.373","0.005","2925.5","1.8","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H59 Br4 N10 O6 Si2 -","- C50 H59 Br4 N10 O6 Si2 -","- C100 H118 Br8 N20 O12 Si4 -","2","1","","Qingyi Li; Paul Hurley; Hui Ding; Andrew G. Roberts; Radha Akella; Patrick G. Harran","Exploring Symmetry-Based Logic for a Synthesis of Palau'amine","Journal of Organic Chemistry","2009","74","","5909","5919","10.1021/jo900755r","","","0.71069","MoKα","","0.0783","0.063","","","0.1724","0.2314","","","","","","1.016","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024748","7.2254","0.0009","12.6313","0.0015","15.299","0.002","90","","90","","90","","1396.2","0.3","143","1","143","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O S2 -","- C15 H20 O S2 -","- C60 H80 O4 S8 -","4","1","","Amos B. Smith; Megan A. Foley; Shuzhi Dong; Alia Orbin","(+)-Rimocidin Synthetic Studies: Construction of the C(1-27) Aglycone Skeleton","Journal of Organic Chemistry","2009","74","","5987","6001","10.1021/jo900765p","","","0.71069","MoKα","","0.0206","0.02","","","0.0547","0.0549","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024749","10.8151","0.0012","7.9505","0.0009","12.6843","0.0015","90","","97.33","0.003","90","","1081.8","0.2","143","1","143","1","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O6 -","- C24 H30 O6 -","- C48 H60 O12 -","2","1","","Amos B. Smith; Megan A. Foley; Shuzhi Dong; Alia Orbin","(+)-Rimocidin Synthetic Studies: Construction of the C(1-27) Aglycone Skeleton","Journal of Organic Chemistry","2009","74","","5987","6001","10.1021/jo900765p","","","0.71073","MoKα","","0.0303","0.0297","","","0.0768","0.0775","","","","","","1.052","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024750","7.9934","0.0004","24.0601","0.0012","9.2979","0.0004","90","","104.041","0.003","90","","1734.76","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 F N O -","- C21 H18 F N O -","- C84 H72 F4 N4 O4 -","4","1","","Srinivasa Reddy Mothe; Philip Wai Hong Chan","Highly Efficient Synthesis of Tri- and Tetrasubstituted Conjugated Enynes from Brønsted Acid Catalyzed Alkoxylation of 1-Cyclopropylprop-2-yn-1-ols with Alcohols","Journal of Organic Chemistry","2009","74","","5887","5893","10.1021/jo9008244","","","0.71073","MoKα","","0.0989","0.05","","","0.1237","0.1689","","","","","","1.111","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024751","34.5631","0.0007","34.5631","0.0007","10.203","0.0002","90","","90","","120","","10555.6","0.4","93.1","","","","","","","","","","","5","R -3 :H","-R 3","148","","","","- C22 H25 N O10 S -","- C22 H25 N O10 S -","- C396 H450 N18 O180 S18 -","18","1","","Yuki Yoshida; Kunihiko Mohri; Kimiaki Isobe; Toshimasa Itoh; Keiko Yamamoto","Biomimetic Total Synthesis of (\±)-8-Oxoerymelanthine","Journal of Organic Chemistry","2009","74","","6010","6015","10.1021/jo9008645","","","1.54187","CuKα","","","0.056","","","","0.1485","","","","","","0.804","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024752","7.228","0.0006","10.5893","0.0008","17.5653","0.0012","90","","92.462","0.003","90","","1343.2","0.18","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 F2 N2 O2 -","- C13 H16 F2 N2 O2 -","- C52 H64 F8 N8 O8 -","4","1","","Emilie Vardelle; Agnès Martin-Mingot; Marie-Paule Jouannetaud; Christian Bachmann; Jérôme Marrot; Sébastien Thibaudeau","Substitution Effect on the Cylization/Fluorination Reaction of N-Dienes in Superacid","Journal of Organic Chemistry","2009","74","","6025","6034","10.1021/jo900881f","","","0.71073","MoKα","","0.0836","0.0475","","","0.1164","0.1388","","","","","","1.015","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024753","14.867","0.005","9.84","0.003","9.475","0.003","90","","95.475","0.01","90","","1379.7","0.8","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 Cl F N2 O2 -","- C13 H16 Cl F N2 O2 -","- C52 H64 Cl4 F4 N8 O8 -","4","1","","Emilie Vardelle; Agnès Martin-Mingot; Marie-Paule Jouannetaud; Christian Bachmann; Jérôme Marrot; Sébastien Thibaudeau","Substitution Effect on the Cylization/Fluorination Reaction of N-Dienes in Superacid","Journal of Organic Chemistry","2009","74","","6025","6034","10.1021/jo900881f","","","0.71073","MoKα","","0.0821","0.0689","","","0.1783","0.1802","","","","","","1.058","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024754","7.9275","0.0002","10.4132","0.0003","17.3411","0.0004","90","","90.208","0.001","90","","1431.51","0.06","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl F2 N2 O2 -","- C13 H15 Cl F2 N2 O2 -","- C52 H60 Cl4 F8 N8 O8 -","4","1","","Emilie Vardelle; Agnès Martin-Mingot; Marie-Paule Jouannetaud; Christian Bachmann; Jérôme Marrot; Sébastien Thibaudeau","Substitution Effect on the Cylization/Fluorination Reaction of N-Dienes in Superacid","Journal of Organic Chemistry","2009","74","","6025","6034","10.1021/jo900881f","","","0.71073","MoKα","","0.0553","0.0508","","","0.1385","0.1414","","","","","","1.091","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024755","8.0746","0.0002","10.6307","0.0003","17.2901","0.0005","90","","93.471","0.001","90","","1481.44","0.07","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl2 F N2 O2 -","- C13 H15 Cl2 F N2 O2 -","- C52 H60 Cl8 F4 N8 O8 -","4","1","","Emilie Vardelle; Agnès Martin-Mingot; Marie-Paule Jouannetaud; Christian Bachmann; Jérôme Marrot; Sébastien Thibaudeau","Substitution Effect on the Cylization/Fluorination Reaction of N-Dienes in Superacid","Journal of Organic Chemistry","2009","74","","6025","6034","10.1021/jo900881f","","","0.71073","MoKα","","0.071","0.0601","","","0.1708","0.1805","","","","","","1.114","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024756","11.5227","0.0015","14.0439","0.0016","11.1407","0.0014","90","","118.808","0.009","90","","1579.7","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","1-phenyl-3H-dibenzo[de,h]isoquinolin-3,7(2H)-dione","","- C22 H13 N O2 -","- C22 H13 N O2 -","- C88 H52 N4 O8 -","4","1","","Sergei F. Vasilevsky; Denis S. Baranov; Victor I. Mamatyuk; Yury V. Gatilov; Igor V. Alabugin","An Unexpected Rearrangement That Disassembles Alkyne Moiety Through Formal Nitrogen Atom Insertion between Two Acetylenic Carbons and Related Cascade Transformations: New Approach toSampangineDerivatives and Polycyclic Aromatic Amides","Journal of Organic Chemistry","2009","74","","6143","6150","10.1021/jo9008904","","","0.71073","MoKα","","0.0962","0.0508","","","0.1136","0.1328","","","","","","1.035","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024757","12.8641","0.0004","12.2243","0.0004","12.2883","0.0004","90","","92.66","0.002","90","","1930.31","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C92 H84 N4 O8 S4 -","4","1","","Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan","Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine","Journal of Organic Chemistry","2009","74","","5947","5952","10.1021/jo900917q","","","0.71073","MoKα","","0.0604","0.0432","","","0.1242","0.1446","","","","","","1.059","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024758","7.9822","0.0002","9.4838","0.0003","13.0884","0.0004","99.166","0.001","105.255","0.002","91.979","0.001","940.65","0.05","273","2","273","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C46 H42 N2 O4 S2 -","2","1","","Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan","Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine","Journal of Organic Chemistry","2009","74","","5947","5952","10.1021/jo900917q","","","0.71073","MoKα","","0.0531","0.0404","","","0.1176","0.1309","","","","","","1.078","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024759","11.1459","0.0005","8.8607","0.0004","19.6255","0.0008","90","","98.572","0.003","90","","1916.57","0.14","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C92 H84 N4 O8 S4 -","4","1","","Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan","Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine","Journal of Organic Chemistry","2009","74","","5947","5952","10.1021/jo900917q","","","0.71073","MoKα","","0.0811","0.054","","","0.1617","0.2094","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024760","9.5697","0.0002","19.8028","0.0005","10.3326","0.0002","90","","92.552","0.002","90","","1956.16","0.07","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H21 N O2 S -","- C23 H21 N O2 S -","- C92 H84 N4 O8 S4 -","4","1","","Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan","Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine","Journal of Organic Chemistry","2009","74","","5947","5952","10.1021/jo900917q","","","0.71073","MoKα","","0.0538","0.0388","","","0.107","0.1318","","","","","","1.173","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024761","16.0987","0.0006","11.7489","0.0005","8.6722","0.0003","90","","90","","90","","1640.28","0.11","173","2","173","2","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C18 H19 N O2 S -","- C18 H19 N O2 S -","- C72 H76 N4 O8 S4 -","4","1","","Prasath Kothandaraman; Shi Jia Foo; Philip Wai Hong Chan","Gold-Catalyzed Intramolecular Allylic Amination of 2-Tosylaminophenylprop-1-en-3-ols. A Concise Synthesis of (\±)-Angustureine","Journal of Organic Chemistry","2009","74","","5947","5952","10.1021/jo900917q","","","0.71073","MoKα","","0.0464","0.0369","","","0.0969","0.1087","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024762","8.718","0.003","8.606","0.008","14.015","0.005","90","","93.38","0.03","90","","1049.6","1.2","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H21 Cl N2 O3 S -","- C23 H21 Cl N2 O3 S -","- C46 H42 Cl2 N4 O6 S2 -","2","1","","David Gagnon; Claude Spino","Stereoselective Synthesis of (+)-Aspidofractinine","Journal of Organic Chemistry","2009","74","","6035","6041","10.1021/jo9009497","","","1.54176","CuKα","","0.07","0.0502","","","0.1278","0.1411","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024763","12.8067","0.0012","14.7475","0.0013","16.7683","0.0015","90","","90","","90","","3167","0.5","298","1","298","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H22 N4 -","- C15 H22 N4 -","- C120 H176 N32 -","8","2","","Diana Almaşi; Diego A. Alonso; Enrique Gómez-Bengoa; Carmen Nájera","Chiral 2-Aminobenzimidazoles as Recoverable Organocatalysts for the Addition of 1,3-Dicarbonyl Compounds to Nitroalkenes","Journal of Organic Chemistry","2009","74","","6163","6168","10.1021/jo9010552","","","0.71073","MoKα","","0.0787","0.0492","","","0.1109","0.1242","","","","","","1.099","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024764","5.673","0.003","14.165","0.008","20.076","0.011","90","","90","","90","","1613.1","1.5","296","1","296","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H17 N O4 -","- C18 H17 N O4 -","- C72 H68 N4 O16 -","4","1","","Diana Almaşi; Diego A. Alonso; Enrique Gómez-Bengoa; Carmen Nájera","Chiral 2-Aminobenzimidazoles as Recoverable Organocatalysts for the Addition of 1,3-Dicarbonyl Compounds to Nitroalkenes","Journal of Organic Chemistry","2009","74","","6163","6168","10.1021/jo9010552","","","0.71073","MoKα","","0.1668","0.0661","","","0.1207","0.1626","","","","","","1.01","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024765","6.6506","0.0006","14.5039","0.0014","14.9477","0.0012","90","","97.781","0.003","90","","1428.6","0.2","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C17 H20 O3 -","- C17 H20 O3 -","- C68 H80 O12 -","4","1","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.0657","0.0467","","","0.1058","0.1149","","","","","","1.086","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024766","8.9036","0.0003","12.6996","0.0004","21.5174","0.0008","90","","90","","90","","2433.02","0.14","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H36 N2 O6 -","- C25 H36 N2 O6 -","- C100 H144 N8 O24 -","4","1","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.052","0.0403","","","0.0952","0.101","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024767","11.4809","0.0003","15.1215","0.0004","16.5157","0.0004","89.189","0.002","89.323","0.001","78.029","0.001","2804.51","0.12","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H28 Cl2 N2 O5 -","- C31 H28 Cl2 N2 O5 -","- C124 H112 Cl8 N8 O20 -","4","2","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.0859","0.06","","","0.1536","0.1687","","","","","","1.049","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024768","7.5607","0.0003","10.2164","0.0005","17.0611","0.0008","90","","90","","90","","1317.85","0.1","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 O3 -","- C16 H16 O3 -","- C64 H64 O12 -","4","1","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.0314","0.0296","","","0.0786","0.0799","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024769","9.9135","0.0004","17.8587","0.0007","11.2096","0.0005","90","","95.438","0.002","90","","1975.64","0.14","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H24 Br N O3 -","- C23 H24 Br N O3 -","- C92 H96 Br4 N4 O12 -","4","1","","John R. Goodell; Jonathan P. McMullen; Nikolay Zaborenko; Jason R. Maloney; Chuan-Xing Ho; Klavs F. Jensen; John A. Porco; Aaron B. Beeler","Development of an Automated Microfluidic Reaction Platform for Multidimensional Screening: Reaction Discovery Employing Bicyclo[3.2.1]octanoid Scaffolds","Journal of Organic Chemistry","2009","74","","6169","6180","10.1021/jo901073v","","","0.71073","MoKα","","0.038","0.0277","","","0.0688","0.0723","","","","","","1.039","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024770","9.624","0.0002","9.9066","0.0002","10.264","0.0002","63.082","0.001","74.631","0.001","82.194","0.001","841.25","0.03","120","0.2","120","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H12 Cl3 N O3 -","- C16 H12 Cl3 N O3 -","- C32 H24 Cl6 N2 O6 -","2","1","","Guangrong Zheng; Linda P. Dwoskin; Agripina G. Deaciuc; Peter A. Crooks","Stereocontrolled Synthesis and Pharmacological Evaluation of cis-2,6-Diphenethyl-1-azabicyclo[2.2.2]octanes as Lobelane Analogues","Journal of Organic Chemistry","2009","74","","6072","6076","10.1021/jo901082r","","","0.71073","MoKα","","0.0549","0.0411","","","0.0996","0.1068","","","","","","1.487","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024771","9.9736","0.0001","11.1618","0.0002","11.5289","0.0002","82.045","0.0007","88.7559","0.0007","66.1562","0.0007","1161.77","0.03","90","0.2","90","0.2","","","","","","","","5","P -1","-P 1","2","","","","- C24 H26 Cl3 N O3 -","- C24 H26 Cl3 N O3 -","- C48 H52 Cl6 N2 O6 -","2","1","","Guangrong Zheng; Linda P. Dwoskin; Agripina G. Deaciuc; Peter A. Crooks","Stereocontrolled Synthesis and Pharmacological Evaluation of cis-2,6-Diphenethyl-1-azabicyclo[2.2.2]octanes as Lobelane Analogues","Journal of Organic Chemistry","2009","74","","6072","6076","10.1021/jo901082r","","","0.71073","MoKα","","0.0513","0.0361","","","0.0867","0.094","","","","","","1.062","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024772","12.2188","0.0006","11.5364","0.0006","12.5909","0.0007","90","","107.823","0.001","90","","1689.6","0.2","93.1","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H27 N3 -","- C19 H27 N3 -","- C76 H108 N12 -","4","1","","Yusuke Ohta; Yushi Kubota; Tsuyoshi Watabe; Hiroaki Chiba; Shinya Oishi; Nobutaka Fujii; Hiroaki Ohno","Rapid Access to 3-(Aminomethyl)isoquinoline-Fused Polycyclic Compounds by Copper-Catalyzed Four-Component Coupling, Cascade Cyclization, and Oxidation","Journal of Organic Chemistry","2009","74","","6299","6302","10.1021/jo901090u","","","0.7107","MoKα","","","0.042","","","","0.084","","","","","","1.788","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024773","11.9709","0.0017","5.9426","0.0008","13.4008","0.0019","90","","104.757","0.003","90","","921.9","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H21 N O4 -","- C25 H21 N O4 -","- C50 H42 N2 O8 -","2","1","","Chunyong Ding; Shanghui Tu; Fuying Li; Yuanxiang Wang; Qizheng Yao; Wenxiang Hu; Hua Xie; Linghua Meng; Ao Zhang","Synthesis Study on Marmycin A: Preparation of the C3'-Desmethyl Analogues","Journal of Organic Chemistry","2009","74","","6111","6119","10.1021/jo9011078","","","0.71073","MoKα","","0.0445","0.0387","","","0.0864","0.0888","","","","","","0.958","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024774","18.73","0.003","9.237","0.0013","25.6","0.004","90","","110.787","0.002","90","","4140.7","1","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N O6 -","- C25 H22 N O6 -","- C200 H176 N8 O48 -","8","2","","Chunyong Ding; Shanghui Tu; Fuying Li; Yuanxiang Wang; Qizheng Yao; Wenxiang Hu; Hua Xie; Linghua Meng; Ao Zhang","Synthesis Study on Marmycin A: Preparation of the C3'-Desmethyl Analogues","Journal of Organic Chemistry","2009","74","","6111","6119","10.1021/jo9011078","","","0.71073","MoKα","","0.1741","0.1104","","","0.222","0.2538","","","","","","1.115","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024775","7.501","0.0001","14.6602","0.0003","21.9638","0.0005","90","","96.394","0.001","90","","2400.25","0.08","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-[rel-(3aR,9bS,10R,14S)-2,3,3a,6,7,8,9,9b,11,12,13,14-Dodecahydro-2,12-diethyl-1,3,11,13-tetraoxo-10H-4,9a[3',4']-endo-pyrrolo-9aH-benz[e]isoindol-4(1H)-yl]benzamide","","- C27 H29 N3 O5 -","- C27 H29 N3 O5 -","- C108 H116 N12 O20 -","4","1","","Krištof Kranjc; Franc Perdih; Marijan Kočevar","Effect of Ring Size on the Exo/Endo Selectivity of a Thermal Double Cycloaddition of Fused Pyran-2-ones","Journal of Organic Chemistry","2009","74","","6303","6306","10.1021/jo9011199","","","0.71073","MoKα","","0.0886","0.0545","","","0.137","0.1563","","","","","","1.049","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024776","9.4804","0.0007","15.2981","0.0011","11.7776","0.0008","90","","93.085","0.001","90","","1705.7","0.2","135","2","135","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C76 H76 N4 O16 S4 -","4","1","","Chan Pil Park; Advait Nagle; Cheol Hwan Yoon; Chiliu Chen; Kyung Woon Jung","Formal Aromatic C-H Insertion for Stereoselective Isoquinolinone Synthesis and Studies on Mechanistic Insights into the C-C Bond Formation","Journal of Organic Chemistry","2009","74","","6231","6236","10.1021/jo9011255","","","0.71073","MoKα","","0.0381","0.0359","","","0.099","0.1012","","","","","","1.047","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024777","7.3048","0.0006","8.26","0.0006","9.2431","0.0008","90","","92.177","0.004","90","","557.3","0.08","113","2","113","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H13 Br N2 O -","- C11 H13 Br N2 O -","- C22 H26 Br2 N4 O2 -","2","1","","Dong-Hui Leng; De-Xiang Wang; Jie Pan; Zhi-Tang Huang; Mei-Xiang Wang","Highly Efficient and Enantioselective Biotransformations of Racemic Azetidine-2-carbonitriles and Their Synthetic Applications","Journal of Organic Chemistry","2009","74","","6077","6082","10.1021/jo9011656","","","0.7107","MoKα","","0.0471","0.0326","","","0.0432","0.0467","","","","","","0.928","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024778","9.6718","0.0003","10.2182","0.0003","19.3697","0.0007","99.513","0.002","94.431","0.002","116.986","0.002","1656.95","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C39 H36 Cl3 I -","- C39 H36 Cl3 I -","- C78 H72 Cl6 I2 -","2","1","","Anupam Mukherjee; Kamalkishore Pati; Rai-Shung Liu","A Convenient Synthesis of Tetrabenzo[de,hi,mn,qr]naphthacene from Readily Available 1,2-Di(phenanthren-4-yl)ethyne","Journal of Organic Chemistry","2009","74","","6311","6314","10.1021/jo901177e","","","0.71073","MoKα","","0.0822","0.0462","","","0.1103","0.123","","","","","","1.047","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024779","14.151","0.0003","18.317","0.0004","21.0453","0.0005","90","","90","","90","","5455","0.2","100","2","100","2","","","","","","","","2","P 21 21 21","P 2ac 2ab","19","","","","- C76 H64 -","- C76 H64 -","- C304 H256 -","4","1","","Anupam Mukherjee; Kamalkishore Pati; Rai-Shung Liu","A Convenient Synthesis of Tetrabenzo[de,hi,mn,qr]naphthacene from Readily Available 1,2-Di(phenanthren-4-yl)ethyne","Journal of Organic Chemistry","2009","74","","6311","6314","10.1021/jo901177e","","","0.71073","MoKα","","0.1409","0.1323","","","0.3158","0.3204","","","","","","1.082","","","","has coordinates,has disorder","178426","2020-10-21","18:00:00",""
"4024780","8.665","","18.998","","11.665","","90","","129.28","","90","","1486.4","","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 Cl N O -","- C17 H17 Cl N O -","- C68 H68 Cl4 N4 O4 -","4","1","","Mariangela Dammacco; Leonardo Degennaro; Saverio Florio; Renzo Luisi; Biagia Musio; Angela Altomare","Lithiation of N-Alkyl-(o-tolyl)aziridine: Stereoselective Synthesis of Isochromans","Journal of Organic Chemistry","2009","74","","6319","6322","10.1021/jo9011943","","","0.71073","MoKα","","0.05","0.05","","0.081","0.081","","","","0.248","0.248","0.248","","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024781","4.6791","0.0006","7.8457","0.0011","16.084","0.002","90","","96.666","0.002","90","","586.45","0.14","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H15 N5 O4 -","- C10 H15 N5 O4 -","- C20 H30 N10 O8 -","2","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0284","0.0267","","","0.0689","0.0699","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024782","7.3242","0.0007","10.7071","0.0011","11.3268","0.0012","96.261","0.002","99.177","0.002","108.178","0.002","821.1","0.14","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H38 N10 O8.5 -","- C32 H38 N10 O8.498 -","- C32 H38 N10 O8.498 -","1","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0467","0.0417","","","0.0931","0.0961","","","","","","1.029","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024783","7.3665","0.0005","10.55","0.0007","11.8151","0.0008","75.807","0.001","73.801","0.001","71.538","0.001","823.9","0.1","110","2","110","2","","","","","","","","4","P 1","P 1","1","","","","- C34 H40 N10 O9 -","- C34 H40 N10 O9 -","- C34 H40 N10 O9 -","1","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0365","0.0346","","","0.0898","0.0912","","","","","","1.022","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024784","7.8036","0.0003","10.1562","0.0003","12.3581","0.0003","93.768","0.002","94.058","0.003","101.822","0.003","953.03","0.05","120","2","120","2","","","","","","","","4","P 1","P 1","1","","","","- C41 H44 N10 O8 -","- C41 H44 N10 O8 -","- C41 H44 N10 O8 -","1","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","1.5418","CuKα","","0.0335","0.0333","","","0.0925","0.0929","","","","","","1.032","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024785","11.53458","0.00017","4.57235","0.00006","15.5302","0.0002","90","","103.458","0.0015","90","","796.57","0.02","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H16 N6 O5 -","- C16 H16 N6 O5 -","- C32 H32 N12 O10 -","2","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","1.5418","CuKα","","0.0363","0.0347","","","0.0935","0.0948","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024786","9.7187","0.0004","9.852","0.0004","18.5662","0.0008","90","","90","","90","","1777.69","0.13","110","2","110","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N5 O5 -","- C17 H21 N5 O5 -","- C68 H84 N20 O20 -","4","1","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0365","0.0347","","","0.0877","0.0889","","","","","","1.106","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024787","9.2539","0.0007","16.3981","0.0012","6.2253","0.0005","90","","103.545","0.001","90","","918.39","0.12","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H32 N2 O6 Pd -","- C14 H32 N2 O6 Pd -","- C28 H64 N4 O12 Pd2 -","2","0.5","","Thomas E. Storr; Christoph G. Baumann; Robert J. Thatcher; Sara De Ornellas; Adrian C. Whitwood; Ian J. S. Fairlamb","Pd(0)/Cu(I)-Mediated Direct Arylation of 2'-Deoxyadenosines: Mechanistic Role of Cu(I) and Reactivity Comparisons with Related Purine Nucleosides","Journal of Organic Chemistry","2009","74","","5810","5821","10.1021/jo9012282","","","0.71073","MoKα","","0.0393","0.0285","","","0.0592","0.0626","","","","","","1.071","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024788","8.663","0.002","9.548","0.003","10.915","0.003","90.92","0.02","94.53","0.02","116.86","0.03","801.5","0.4","150","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H20 O4 -","- C20 H20 O4 -","- C40 H40 O8 -","2","1","","Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M.","Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues","Journal of Organic Chemistry","2009","74","16","6092","6104","10.1021/jo901279g","","","0.71073","MoKα","","0.0397","0.0319","","","0.0823","0.0846","","","","","","1.084","","","","has coordinates","210089","2020-10-21","18:00:00",""
"4024789","8.1475","0.0009","8.2598","0.0017","8.4","0.001","79.263","0.013","70.219","0.01","80.475","0.012","519.41","0.14","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C13 H16 O2 -","- C13 H15 O2 -","- C26 H30 O4 -","2","1","","Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M.","Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues","Journal of Organic Chemistry","2009","74","16","6092","6104","10.1021/jo901279g","","","0.71073","MoKα","","0.0939","0.0629","","","0.1698","0.1912","","","","","","1.077","","","","has coordinates","210089","2020-10-21","18:00:00",""
"4024790","8.424","0.003","23.69","0.05","25.474","0.009","90","","90","","90","","5083","10","150","2","120","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C240 H320 O48 -","16","2","","Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M.","Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues","Journal of Organic Chemistry","2009","74","16","6092","6104","10.1021/jo901279g","","","0.71073","MoKα","","0.0992","0.0346","","","0.0465","0.0526","","","","","","0.71","","","","has coordinates","210089","2020-10-21","18:00:00",""
"4024791","8.174","0.0016","8.424","0.0006","8.571","0.0007","98.169","0.007","100.674","0.01","90.637","0.01","573.66","0.13","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H18 O2 -","- C14 H18 O2 -","- C28 H36 O4 -","2","1","","Singh, Vishwakarma; Sahu, Pramod K.; Sahu, Bharat C.; Mobin, Shaikh M.","Diels‒Alder Cycloaddition and Ring-Closing Metathesis: A Versatile, Stereoselective, and General Route to Embellished Bridged Bicyclic Systems, Carbocyclic Framework of Secoatisanes, and Homologues","Journal of Organic Chemistry","2009","74","16","6092","6104","10.1021/jo901279g","","","0.7093","MoKα","","0.042","0.0347","","","0.0803","0.0853","","","","","","1.079","","","","has coordinates","210089","2020-10-21","18:00:00",""
"4024792","18.27","0.002","16.5555","0.0017","19.663","0.003","90","","101.596","0.006","90","","5826.2","1.2","113","2","113","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C61 H56 Cl8 N3 O5 -","- C61 H56 Cl8 N3 O5 -","- C244 H224 Cl32 N12 O20 -","4","1","","Hualei Qian; Wan Yue; Yonggang Zhen; Simone Di Motta; Eugenio Di Donato; Fabrizia Negri; Jianqiang Qu; Wei Xu; Daoben Zhu; Zhaohui Wang","Heterocyclic Annelated Di(perylene bisimide): Constructing Bowl-Shaped Perylene Bisimides by the Combination of Steric Congestion and Ring Strain","Journal of Organic Chemistry","2009","74","","6275","6282","10.1021/jo901285k","","","0.7107","MoKα","","0.1055","0.0959","","","0.2568","0.2631","","","","","","1.191","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024793","8.3321","0.0014","15.291","0.003","20.134","0.004","73.673","0.004","86.124","0.006","85.033","0.006","2450.1","0.7","113","2","113","2","","","","","","","","6","P -1","-P 1","2","","","","- C54.75 H52.5 Cl1.5 N2 O4 S -","- C54.75 H52.5 Cl1.5 N2 O4 S -","- C109.5 H105 Cl3 N4 O8 S2 -","2","1","","Hualei Qian; Wan Yue; Yonggang Zhen; Simone Di Motta; Eugenio Di Donato; Fabrizia Negri; Jianqiang Qu; Wei Xu; Daoben Zhu; Zhaohui Wang","Heterocyclic Annelated Di(perylene bisimide): Constructing Bowl-Shaped Perylene Bisimides by the Combination of Steric Congestion and Ring Strain","Journal of Organic Chemistry","2009","74","","6275","6282","10.1021/jo901285k","","","0.7107","MoKα","","0.1064","0.0962","","","0.2987","0.3143","","","","","","1.285","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4024794","13.159","0.002","14.135","0.002","13.883","0.003","90","","116.723","0.003","90","","2306.3","0.7","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O3 S -","- C28 H24 O3 S -","- C112 H96 O12 S4 -","4","1","","Zhenqian Fu; Mang Wang; Ying Dong; Jun Liu; Qun Liu","Direct Synthesis of Highly Substituted 2-Cyclohexenones and Sterically Hindered Benzophenones Based on a [5C + 1C] Annulation","Journal of Organic Chemistry","2009","74","","6105","6110","10.1021/jo9013386","","","0.71073","MoKα","","0.132","0.0618","","","0.1112","0.1363","","","","","","0.996","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024795","8.8165","0.0005","11.1574","0.0006","12.4237","0.0007","90","","90","","90","","1222.11","0.12","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","Oxepines","","","- C12 H18 O6 -","- C12 H18 O6 -","- C48 H72 O24 -","4","1","","Vrushali H. Jadhav; Omprakash P. Bande; Rahul V. Pinjari; Shridhar P. Gejji; Vedavati G. Puranik; Dilip D. Dhavale","Synthesis and Conformational Study of Chiral Oxepines: The Baylis-Hillman Reaction and RCM Approach with Sugar Aldehyde","Journal of Organic Chemistry","2009","74","","6486","6494","10.1021/jo900660q","","","0.71073","MoKα","","0.0432","0.0426","","","0.1031","0.1038","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024796","9.3426","0.0007","15.8436","0.0008","17.0456","0.001","90","","90","","90","","2523.1","0.3","293","1","293","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C96 H128 N16 O16 -","8","1","","Guillaume Lessene; Brian J. Smith; Robert W. Gable; Jonathan B. Baell","Characterization of the Two Fundamental Conformations of Benzoylureas and Elucidation of the Factors That Facilitate Their Conformational Interchange","Journal of Organic Chemistry","2009","74","","6511","6525","10.1021/jo900871a","","","1.5418","CuKα","","0.0983","0.0462","","","0.1056","0.1291","","","","","","1.03","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024797","8.6456","0.0005","9.0647","0.0008","10.9868","0.0012","104.918","0.009","92.653","0.007","111.225","0.005","766.22","0.12","293","1","293","1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C30 H44 N4 O4 -","2","1","","Guillaume Lessene; Brian J. Smith; Robert W. Gable; Jonathan B. Baell","Characterization of the Two Fundamental Conformations of Benzoylureas and Elucidation of the Factors That Facilitate Their Conformational Interchange","Journal of Organic Chemistry","2009","74","","6511","6525","10.1021/jo900871a","","","1.5418","CuKα","","0.0524","0.0402","","","0.1071","0.116","","","","","","1.031","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024798","10.43","0.0008","19.336","0.002","8.9636","0.0012","90","","108.426","0.012","90","","1715.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C76 H88 N8 O8 -","4","1","","Guillaume Lessene; Brian J. Smith; Robert W. Gable; Jonathan B. Baell","Characterization of the Two Fundamental Conformations of Benzoylureas and Elucidation of the Factors That Facilitate Their Conformational Interchange","Journal of Organic Chemistry","2009","74","","6511","6525","10.1021/jo900871a","","","1.5418","CuKα","","0.1068","0.0493","","","0.1113","0.1388","","","","","","1.011","","","","has coordinates","178426","2020-10-21","18:00:00",""
"4024799","27.957","0.002","19.8218","0.0014","36.046","0.004","90","","111.639","0.002","90","","18567","3","100","2","100","2","","","","","","","","8","C 1 2/m 1","-C 2y","12","","","","- C93 H96 F45 N21 O24 P4.5 Pd3 S6 -","- C93 H96 F42 N21 O24 P4.5 Pd3 S6 -","- C372 H384 F168 N84 O96 P18 Pd12 S24 -","4","0.5","","Víctor Blanco; Albert Gutiérrez; Carlos Platas-Iglesias; Carlos Peinador; José M. Quintela","Expanding the Cavity Size: Preparation of 2:1 Inclusion Complexes Based on Dinuclear Square Metallocycles","Journal of Organic Chemistry","2009","74","","6577","6583","10.1021/jo901034c","","","0.71073","MoKα","","0.2306","0.1481","","","0.4005","0.4487","","","","","","1.512","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024800","11.98","0.005","16.281","0.005","20.727","0.005","79.839","0.005","84.983","0.005","68.931","0.005","3712","2","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C62 H80 F18 N9 O11 P3 Pd -","- C62 H80 F18 N9 O11 P3 Pd -","- C124 H160 F36 N18 O22 P6 Pd2 -","2","1","","Víctor Blanco; Albert Gutiérrez; Carlos Platas-Iglesias; Carlos Peinador; José M. Quintela","Expanding the Cavity Size: Preparation of 2:1 Inclusion Complexes Based on Dinuclear Square Metallocycles","Journal of Organic Chemistry","2009","74","","6577","6583","10.1021/jo901034c","","","0.71073","MoKα","","0.1341","0.1013","","","0.2568","0.2773","","","","","","1.098","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024801","9.8908","0.0003","12.4381","0.0003","18.2355","0.0005","90","","90","","90","","2243.38","0.11","180","2","180","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C14 H14 Pd -","- C14 H14 Pd -","- C112 H112 Pd8 -","8","1","","Danielle M. Norton; Emily A. Mitchell; Nerine R. Botros; Philip G. Jessop; Michael C. Baird","A Superior Precursor for Palladium(0)-Based Cross-Coupling and Other Catalytic Reactions","Journal of Organic Chemistry","2009","74","","6674","6680","10.1021/jo901121e","","","0.71073","MoKα","","0.0296","0.0227","","","0.0514","0.0557","","","","","","1.045","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024802","9.739","0.002","14.681","0.003","11.462","0.003","90","","92.569","0.004","90","","1637","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N4 O5 -","- C14 H18 N4 O5 -","- C56 H72 N16 O20 -","4","1","","Sean P. McClintock; Nathan Forster; Rainer Herges; Michael M. Haley","Synthesis of α-Ketoester- and α-Hydroxyester-Substituted Isoindazoles via the Thermodynamic Coarctate Cyclization of Ester-Terminated Azo-Ene-Yne Systems","Journal of Organic Chemistry","2009","74","","6631","6636","10.1021/jo9011283","","","0.71073","MoKα","","0.1172","0.0546","","","0.0927","0.1187","","","","","","0.999","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024803","36.9809","0.0013","9.4549","0.0007","21.9873","0.0011","90","","126.232","0.002","90","","6201.3","0.6","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H22 N4 O -","- C17 H22 N4 O -","- C272 H352 N64 O16 -","16","2","","John P. Clare; Anna Statnikov; Vincent Lynch; Andrew L. Sargent; John W. Sibert","""Wurster-Type"" Ureas as Redox-Active Receptors for Anions","Journal of Organic Chemistry","2009","74","","6637","6646","10.1021/jo9011392","","","0.71073","MoKα","","0.1842","0.0767","","","0.1818","0.2281","","","","","","1.126","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024804","9.175","0.005","18.652","0.005","15.823","0.005","90","0.005","100.355","0.005","90","0.005","2663.7","1.8","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H31 N3 O4 S -","- C30 H31 N3 O4 S -","- C120 H124 N12 O16 S4 -","4","1","","Vadakkancheril S. Jisha; Anu J. Thomas; Danaboyina Ramaiah","Fluorescence Ratiometric Selective Recognition of Cu2+ Ions by Dansyl-Naphthalimide Dyads","Journal of Organic Chemistry","2009","74","","6667","6673","10.1021/jo901164w","","","0.71069","MoKα","","0.0694","0.0415","","","0.1099","0.1329","","","","","","1.045","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024805","16.272","0.003","10.2332","0.0019","20.054","0.004","90","","97.509","0.005","90","","3310.7","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H17 N O -","- C22 H17 N O -","- C176 H136 N8 O8 -","8","2","","Hongfeng Li; Jingyu Yang; Yuanhong Liu; Yanzhong Li","Iron-Catalyzed Cascade Arene-Aldehyde Addition/Cyclizations for the Highly Efficient Synthesis of Xanthenes and Its Analogous: Observation of a C-C Bond Cleavage in Indole-Based Triarylmethanes","Journal of Organic Chemistry","2009","74","","6797","6801","10.1021/jo9012354","","","0.71073","MoKα","","0.161","0.1044","","","0.3077","0.3351","","","","","","1.072","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024806","11.675","0.0019","7.9242","0.0013","20.616","0.004","90","","98.181","0.004","90","","1887.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 O3 -","- C25 H20 O3 -","- C100 H80 O12 -","4","1","","Hongfeng Li; Jingyu Yang; Yuanhong Liu; Yanzhong Li","Iron-Catalyzed Cascade Arene-Aldehyde Addition/Cyclizations for the Highly Efficient Synthesis of Xanthenes and Its Analogous: Observation of a C-C Bond Cleavage in Indole-Based Triarylmethanes","Journal of Organic Chemistry","2009","74","","6797","6801","10.1021/jo9012354","","","0.71073","MoKα","","0.0827","0.0473","","","0.106","0.1177","","","","","","0.916","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024807","15.7454","0.0003","6.3368","0.0001","17.3225","0.0004","90","","93.0165","0.001","90","","1725.97","0.06","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N -","- C21 H25 N -","- C84 H100 N4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0723","0.0525","","0.1209","0.1073","0.1016","","","","","","0.8712","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024808","10.0731","0.0002","13.6453","0.0003","14.6931","0.0004","90","","109.818","0.0008","90","","1899.96","0.08","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 Br N -","- C21 H26 Br N -","- C84 H104 Br4 N4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0858","0.0452","","0.1031","0.0876","0.082","","","","","","1.0074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024809","10.7783","0.0002","14.9377","0.0004","11.3867","0.0003","90","","92.8387","0.001","90","","1831.04","0.08","150","","150","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N -","- C22 H27 N -","- C88 H108 N4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1104","0.0699","","0.1744","0.1534","0.1454","","","","","","1.0229","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024810","12.444","0.003","7.8733","0.0016","16.766","0.003","90","","109.74","0.03","90","","1546.1","0.6","150","","150","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","2","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0924","0.0924","","0.2139","0.2139","0.2139","","","","","","0.9083","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024811","8.8068","0.0002","10.2538","0.0002","11.8459","0.0002","106.304","0.0009","91.041","0.0008","95.2761","0.0009","1021.27","0.04","150","","150","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H26 B F4 N O3 -","- C21 H26 B F4 N O3 -","- C42 H52 B2 F8 N2 O6 -","2","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0553","0.0425","","0.054","0.0516","0.0506","","","","","","1.3059","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024812","14.8507","0.0004","14.8824","0.0004","16.6996","0.0004","90","","94.0401","0.0018","90","","3681.67","0.17","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H27 N O -","- C22 H27 N O -","- C176 H216 N8 O8 -","8","2","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.2897","0.1513","","0.2181","0.1332","0.1332","","","","","","0.9976","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024813","9.6786","0.0002","15.6935","0.0004","11.6781","0.0004","90","","92.0417","0.001","90","","1772.67","0.08","150","","150","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H25 N O -","- C21 H25 N O -","- C84 H100 N4 O4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0961","0.0343","","0.092","0.0345","0.0345","","","","","","1.1205","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024814","9.6265","0.0002","7.4403","0.0002","29.2042","0.0007","90","","90.7608","0.0011","90","","2091.54","0.09","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N O5 S -","- C22 H27 N O5 S -","- C88 H108 N4 O20 S4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1319","0.0494","","0.0951","0.0563","0.0563","","","","","","1.051","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024815","8.3807","0.0001","8.5672","0.0002","21.6908","0.0004","90","","90","","90","","1557.38","0.05","150","","150","","","","","","","","","4","P n 21 a","P -2ac -2n","33","","","","- C19 H21 N O -","- C19 H21 N O -","- C76 H84 N4 O4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0436","0.0372","","0.0811","0.0749","0.0721","","","","","","0.9766","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024816","9.2056","0.0002","10.1292","0.0002","14.56","0.0003","93.3862","0.0008","104.328","0.0009","108.791","0.0008","1230.97","0.05","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H30 N2 O7 S -","- C26 H30 N2 O7 S -","- C52 H60 N4 O14 S2 -","2","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.059","0.044","","0.1101","0.102","0.1101","","","","","","0.9545","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024817","9.8999","0.0002","12.314","0.0003","20.6999","0.0006","90","","91.4895","0.0009","90","","2522.62","0.11","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H33 N O4 S -","- C28 H33 N O4 S -","- C112 H132 N4 O16 S4 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1282","0.0654","","0.1667","0.1293","0.1256","","","","","","0.8781","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024818","9.3961","0.0004","14.016","0.0006","18.0227","0.0009","90","","99.271","0.002","90","","2342.51","0.18","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H26 Cl3 N O3 -","- C23 H26 Cl3 N O3 -","- C92 H104 Cl12 N4 O12 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0786","0.0537","","0.0921","0.081","0.0778","","","","","","0.9193","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024819","10.379","0.0001","13.8632","0.0002","18.1137","0.0002","90","","102.135","0.0005","90","","2548.08","0.05","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H27 F4 N O4 -","- C28 H27 F4 N O4 -","- C112 H108 F16 N4 O16 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1104","0.0715","","0.116","0.0757","0.072","","","","","","1.1177","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024820","10.9893","0.0003","13.791","0.0003","12.2178","0.0004","90","","102.402","0.0011","90","","1808.44","0.09","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0948","0.0443","","0.0895","0.0405","0.0369","","","","","","1.1363","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024821","6.1629","0.0004","10.0202","0.0007","16.9326","0.0013","96.357","0.003","93.842","0.002","103.221","0.003","1007.06","0.12","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C46 H58 N2 O6 -","2","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0967","0.0499","","0.0776","0.049","0.049","","","","","","1.1189","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024822","8.7731","0.0002","22.3043","0.0006","10.5826","0.0003","90","","98.2573","0.0011","90","","2049.31","0.09","150","","150","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C23 H29 N O3 -","- C23 H29 N O3 -","- C92 H116 N4 O12 -","4","1","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.1062","0.0493","","0.1124","0.0483","0.0481","","","","","","1.1234","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024823","9.808","0.0001","12.7341","0.0002","15.9205","0.0003","100.782","0.0006","93.3074","0.0007","109.764","0.001","1822.44","0.05","123","","190","","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C84 H108 N4 O8 -","4","2","","Christopher W. Bond; Alexander J. Cresswell; Stephen G. Davies; Ai M. Fletcher; Wataru Kurosawa; James A. Lee; Paul M. Roberts; Angela J. Russell; Andrew D. Smith; James E. Thomson","Ammonium-Directed Oxidation of Cyclic Allylic and Homoallylic Amines","Journal of Organic Chemistry","2009","74","","6735","6748","10.1021/jo9012783","","","0.71073","MoKα","","0.0787","0.0787","","0.114","0.114","0.114","","","","","","0.8911","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024825","13.2502","0.0007","16.0849","0.0008","17.9953","0.001","86.541","0.003","82.282","0.003","82.283","0.003","3762.6","0.3","100","2","100","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C81 H73 Cl3 I4 N8 O6 -","- C75 H59 Cl3 I4 N8 O6 -","- C150 H118 Cl6 I8 N16 O12 -","2","1","","Na Fu; Jeffrey M. Baumes; Easwaran Arunkumar; Bruce C. Noll; Bradley D. Smith","Squaraine Rotaxanes with Boat Conformation Macrocycles","Journal of Organic Chemistry","2009","74","","6462","6468","10.1021/jo901298n","","x-ray","0.71073","MoKα","","0.1045","0.0789","","","0.2017","0.2155","","","","","","1.1","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024826","13.5229","0.0005","16.5761","0.0006","20.5214","0.0008","86.498","0.002","89.086","0.002","74.047","0.002","4414.6","0.3","100","2","100","2","","","","","","","synthesized","6","P -1","-P 1","2","","","","- C84 H76 Br4 Cl12 N8 O7 -","- C84 H76 Br4 Cl12 N8 O7 -","- C168 H152 Br8 Cl24 N16 O14 -","2","1","","Na Fu; Jeffrey M. Baumes; Easwaran Arunkumar; Bruce C. Noll; Bradley D. Smith","Squaraine Rotaxanes with Boat Conformation Macrocycles","Journal of Organic Chemistry","2009","74","","6462","6468","10.1021/jo901298n","","x-ray","0.71073","MoKα","","0.0885","0.0561","","","0.1329","0.1478","","","","","","1.024","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024827","13.3345","0.0003","16.0184","0.0004","18.1152","0.0004","89.207","0.002","82.158","0.002","77.832","0.002","3746.61","0.15","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C79.75 H71.75 Cl5.25 N8 O6 -","- C79 H71 Cl3 N8 O6 -","- C158 H142 Cl6 N16 O12 -","2","1","","Na Fu; Jeffrey M. Baumes; Easwaran Arunkumar; Bruce C. Noll; Bradley D. Smith","Squaraine Rotaxanes with Boat Conformation Macrocycles","Journal of Organic Chemistry","2009","74","","6462","6468","10.1021/jo901298n","","x-ray","0.71073","MoKα","","0.0802","0.0625","","","0.1705","0.1811","","","","","","1.103","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024828","10.5354","0.0004","15.9438","0.0006","18.2433","0.0007","104.095","0.002","100.631","0.002","103.265","0.002","2797.5","0.18","100","2","100","2","","","","","","","synthesis","4","P -1","-P 1","2","rotaxane500nm","","","- C70 H60 N6 O6 -","- C70 H60 N6 O6 -","- C140 H120 N12 O12 -","2","1","","Na Fu; Jeffrey M. Baumes; Easwaran Arunkumar; Bruce C. Noll; Bradley D. Smith","Squaraine Rotaxanes with Boat Conformation Macrocycles","Journal of Organic Chemistry","2009","74","","6462","6468","10.1021/jo901298n","","x-ray","0.71073","MoKα","","0.0624","0.0464","","","0.1123","0.122","","","","","","1.059","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024829","13.5542","0.0007","15.7453","0.0008","16.3164","0.0008","95.972","0.002","105.166","0.002","93.929","0.002","3326","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C81 H73 Cl3 N6 O6 -","- C81 H73 Cl3 N6 O6 -","- C162 H146 Cl6 N12 O12 -","2","1","","Na Fu; Jeffrey M. Baumes; Easwaran Arunkumar; Bruce C. Noll; Bradley D. Smith","Squaraine Rotaxanes with Boat Conformation Macrocycles","Journal of Organic Chemistry","2009","74","","6462","6468","10.1021/jo901298n","","","0.71073","MoKα","","0.0635","0.0453","","","0.1081","0.1193","","","","","","1.023","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024830","9.833","0.0005","10.3533","0.0005","11.6066","0.0006","73.138","0.001","70.864","0.001","74.552","0.001","1048.97","0.09","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C50 H46 N6 O2 -","2","1","","Nian-Yu Huang; Ming-Guo Liu; Ming-Wu Ding","Efficient Regioselective Synthesis of Indole N-Carboximidamides and N-Carboximidoates by a Sequential Aza-Wittig/Ag(I)-Catalyzed Cyclization","Journal of Organic Chemistry","2009","74","","6874","6877","10.1021/jo901362c","","","0.71073","MoKα","","0.0617","0.0489","","","0.1357","0.1451","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024831","10.368","0.01","5.135","0.005","14.763","0.014","90","","99.164","0.017","90","","775.9","1.3","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H18 O3 -","- C20 H18 O3 -","- C40 H36 O6 -","2","1","","Liang Hong; Lei Wang; Wangsheng Sun; Kwokyin Wong; Rui Wang","Organocatalytic Asymmetric Friedel-Crafts Alkylation/Cyclization Cascade Reaction of 1-Naphthols and α,β-Unsaturated Aldehydes: An Enantioselective Synthesis of Chromanes and Dihydrobenzopyranes","Journal of Organic Chemistry","2009","74","","6881","6884","10.1021/jo901409d","","","0.71073","MoKα","","0.0923","0.0612","","","0.1454","0.166","","","","","","1.019","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024832","5.788","0.002","10.571","0.004","23.447","0.01","90","","90","","90","","1434.8","1","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 O2 -","- C19 H18 O2 -","- C76 H72 O8 -","4","1","","Liang Hong; Lei Wang; Wangsheng Sun; Kwokyin Wong; Rui Wang","Organocatalytic Asymmetric Friedel-Crafts Alkylation/Cyclization Cascade Reaction of 1-Naphthols and α,β-Unsaturated Aldehydes: An Enantioselective Synthesis of Chromanes and Dihydrobenzopyranes","Journal of Organic Chemistry","2009","74","","6881","6884","10.1021/jo901409d","","","0.71073","MoKα","","0.0455","0.0365","","","0.0842","0.0897","","","","","","1.023","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024833","17.8857","0.0012","25.3005","0.0012","31.4601","0.0016","90","","90","","90","","14236.2","1.4","90","2","90","2","","","","","","","","4","P b c n","-P 2n 2ab","60","C70(CF3)10C2H4C6H2(MeO)2","C70(CF3)10C2H4C6H2(MeO)2","","- C104 H28 F30 O2 -","- C104 H28 F30 O2 -","- C832 H224 F240 O16 -","8","1","","Yuta Takano; M. Ángeles Herranz; Ivan E. Kareev; Steven H. Strauss; Olga V. Boltalina; Takeshi Akasaka; Nazario Martín","Efficient Regioselective [4+2] Cycloaddition of o-Quinodimethane to C70(CF3)10","Journal of Organic Chemistry","2009","74","","6902","6905","10.1021/jo9014358","","","0.71075","MoKα","","0.0976","0.0553","","","0.113","0.1266","","","","","","1.013","","","","has coordinates,has disorder","288183","2023-12-08","14:42:53",""
"4024834","8.4163","0.0002","13.8017","0.0003","19.2457","0.0005","90","","92.316","0.002","90","","2233.74","0.09","298","2","298","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C20 H26 N2 O5 S Si -","- C20 H26 N2 O5 S Si -","- C80 H104 N8 O20 S4 Si4 -","4","1","","Jian-Hui Liu; Qing-Chuan Yang; Thomas C. W. Mak; Henry N. C. Wong","Correction to Highly Regioselective Synthesis of 2,3,4-Trisubstituted 1H-Pyrroles: A Formal Total Synthesis of Lukianol A","Journal of Organic Chemistry","2009","74","","6906","6906","10.1021/jo901655y","","","0.71073","MoKα","","0.0683","0.0495","","","0.1565","0.171","","","","","","1.169","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024835","10.4182","0.0018","5.0811","0.0007","12.35","0.003","90","","103.834","0.006","90","","634.8","0.19","121","2","121","2","","","","","","","","5","P 1 21 1","P 2yb","4","8d","","","- C14 H13 N O3 S -","- C14 H13 N O3 S -","- C28 H26 N2 O6 S2 -","2","1","","Alan R. Katritzky; Srinivasa R. Tala; Nader E. Abo-Dya; Kapil Gyanda; Bahaa El-Dien M. El-Gendy; Zakaria K. Abdel-Samii; Peter J. Steel","Selective Synthesis and Structural Elucidation of S-Acyl- and N-Acylcysteines","Journal of Organic Chemistry","2009","74","","7165","7167","10.1021/jo900853s","","","0.71073","MoKα","","0.0387","0.0352","","","0.0929","0.0956","","","","","","1.055","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024836","15.1467","0.0016","6.6838","0.0007","12.8779","0.0013","90","","90.948","0.002","90","","1303.5","0.2","155","2","155","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 N2 O Si -","- C13 H16 N2 O Si -","- C52 H64 N8 O4 Si4 -","4","1","","Nicholas M. Leonard; K. A. Woerpel","Formation of Medium-Sized Nitrogen Heterocycles from γ-Silyloxy-γ-Lactams","Journal of Organic Chemistry","2009","74","","6915","6923","10.1021/jo900869k","","","0.71073","MoKα","","0.0519","0.0361","","","0.0918","0.1023","","","","","","1.049","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024837","16.431","0.003","7.8966","0.0013","37.563","0.006","90","","90","","90","","4873.6","1.4","163","2","163","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C24 H34 N2 O3 S Si -","- C24 H34 N2 O3 S Si -","- C192 H272 N16 O24 S8 Si8 -","8","1","","Nicholas M. Leonard; K. A. Woerpel","Formation of Medium-Sized Nitrogen Heterocycles from γ-Silyloxy-γ-Lactams","Journal of Organic Chemistry","2009","74","","6915","6923","10.1021/jo900869k","","","0.71073","MoKα","","0.0481","0.037","","","0.0914","0.0986","","","","","","1.101","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024838","19.3855","0.0016","9.347","0.0008","17.3356","0.0014","90","","90","","90","","3141.1","0.5","158","2","158","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C31 H45 N O6 S Si -","- C31 H45 N O6 S Si -","- C124 H180 N4 O24 S4 Si4 -","4","1","","Nicholas M. Leonard; K. A. Woerpel","Formation of Medium-Sized Nitrogen Heterocycles from γ-Silyloxy-γ-Lactams","Journal of Organic Chemistry","2009","74","","6915","6923","10.1021/jo900869k","","","0.71073","MoKα","","0.0416","0.0301","","","0.0666","0.072","","","","","","1.056","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024839","7.3767","0.0013","6.8003","0.0012","12.369","0.002","90","","91.419","0.003","90","","620.3","0.19","173","2","173","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H10 O4 S2 -","- C13 H10 O4 S2 -","- C26 H20 O8 S4 -","2","0.5","","Neta Shefer; Tal Harel; Shlomo Rozen","Synthesis of Oxygenated Fused Oligothiophenes with HOF.CH3CN","Journal of Organic Chemistry","2009","74","","6993","6998","10.1021/jo901106j","","","0.71073","MoKα","","0.0618","0.0575","","","0.1204","0.1226","","","","","","1.236","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024840","25.299","0.002","7.0931","0.0006","8.7605","0.0008","90","","104.897","0.001","90","","1519.2","0.2","173","1","173","1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H12 O6 S3 -","- C14 H12 O6 S3 -","- C56 H48 O24 S12 -","4","0.5","","Neta Shefer; Tal Harel; Shlomo Rozen","Synthesis of Oxygenated Fused Oligothiophenes with HOF.CH3CN","Journal of Organic Chemistry","2009","74","","6993","6998","10.1021/jo901106j","","","0.71073","MoKα","","0.0278","0.0275","","","0.0766","0.0769","","","","","","1.073","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024841","12.769","0.002","7.2172","0.0013","15.297","0.003","90","","90","","90","","1409.7","0.4","200","1","200","1","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H11 N O4 S3 -","- C12 H11 N O4 S3 -","- C48 H44 N4 O16 S12 -","4","0.5","","Neta Shefer; Tal Harel; Shlomo Rozen","Synthesis of Oxygenated Fused Oligothiophenes with HOF.CH3CN","Journal of Organic Chemistry","2009","74","","6993","6998","10.1021/jo901106j","","","0.71073","MoKα","","0.0632","0.0581","","","0.1273","0.13","","","","","","1.248","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024842","9.245","0.0014","6.063","0.0009","10.2457","0.0016","90","","115.422","0.002","90","","518.69","0.14","158","2","158","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C10 H20 O2 -","- C10 H20 O2 -","- C20 H40 O4 -","2","1","","Laura E. Bourque; Pamela A. Haile; K. A. Woerpel","Silylene-Mediated Ring Contraction of Homoallylic Ethers To Form Allylic Silanes","Journal of Organic Chemistry","2009","74","","7180","7182","10.1021/jo901111j","","","0.71073","MoKα","","0.0363","0.0331","","","0.0845","0.0874","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024843","9.6995","0.001","11.1496","0.0011","29.233","0.003","90","","90","","90","","3161.4","0.6","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H22 O4 -","- C18.0025 H22 O4 -","- C144.02 H176 O32 -","8","2","","Joseph J. Topczewski; Jeffrey D. Neighbors; David F. Wiemer","Total Synthesis of (+)-Schweinfurthins B and E","Journal of Organic Chemistry","2009","74","","6965","6972","10.1021/jo901161m","","","0.71073","MoKα","","0.0705","0.038","","","0.07","0.0796","","","","","","1.022","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024844","8.3448","0.0017","14.71","0.003","17.722","0.004","90","","90","","90","","2175.4","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H21 F3 N2 O4 -","- C23 H23 F3 N2 O4 -","- C92 H92 F12 N8 O16 -","4","1","","Debasis Samanta; Robert B. Kargbo; Gregory R. Cook","Asymmetric Synthesis of Aminochromanes via Intramolecular Indium-Mediated Allylation of Chiral Hydrazones","Journal of Organic Chemistry","2009","74","","7183","7186","10.1021/jo901195g","","","0.71073","mokα","","0.1373","0.0464","","","0.0913","0.1206","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024845","8.508","0.005","10.467","0.005","22.375","0.005","90","","90","","90","","1992.6","1.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H23 N O3 S -","- C23 H23 N O3 S -","- C92 H92 N4 O12 S4 -","4","1","","Manas K. Ghorai; Dipti Shukla; Kalpataru Das","Enantioselective Syntheses of Morpholines and Their Homologues via SN2-Type Ring Opening of Aziridines and Azetidines with Haloalcohols","Journal of Organic Chemistry","2009","74","","7013","7022","10.1021/jo901297d","","x-ray","0.71069","MoKα","","0.0798","0.0557","","","0.1376","0.1789","","","","","","1.091","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024846","9.986","0.005","19.659","0.005","20.658","0.005","90","","90","","90","","4055","2","100","2","100","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C184 H184 N8 O24 S8 -","- C23 H23 N O3 S -","- C184 H184 N8 O24 S8 -","8","1","","Manas K. Ghorai; Dipti Shukla; Kalpataru Das","Enantioselective Syntheses of Morpholines and Their Homologues via SN2-Type Ring Opening of Aziridines and Azetidines with Haloalcohols","Journal of Organic Chemistry","2009","74","","7013","7022","10.1021/jo901297d","","x-ray","0.71069","MoKα","","0.1385","0.0586","","","0.1404","0.1829","","","","","","0.976","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024847","10.054","0.005","10.102","0.005","16.404","0.005","90","0.005","94.674","0.005","90","0.005","1660.5","1.3","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","pyrazolo[3,4-b]indole","3-(4-methoxyphenyl-1-phenylpyrazolo[3,4-b]indole)","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","2","","Sarvesh Kumar; Hiriyakkanavar Ila; Hiriyakkanavar Junjappa","Efficient Routes to Pyrazolo[3,4-b]indoles and Pyrazolo[1,5-a]benzimidazoles via Palladium- and Copper-Catalyzed Intramolecular C-C and C-N Bond Formation","Journal of Organic Chemistry","2009","74","","7046","7051","10.1021/jo901309t","","","0.71069","MoKα","","0.0911","0.0612","","","0.1176","0.1453","","","","","","1.049","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024848","7.5838","0.0011","15.5338","0.0018","11.9932","0.0014","90","","105.222","0.001","90","","1363.3","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C68 H56 N8 O4 -","4","1","","Shaojin Gu; Chao Chen; Wanzhi Chen","Ortho-Functionalization of 2-Phenoxypyrimidines via Palladium-Catalyzed C-H Bond Activation","Journal of Organic Chemistry","2009","74","","7203","7206","10.1021/jo901316b","","","0.71073","MoKα","","0.1552","0.0898","","","0.1744","0.1961","","","","","","1.248","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024849","10.5637","0.0002","19.8815","0.0006","11.3971","0.0003","90","","117.489","0.0014","90","","2123.41","0.09","293","","","","","","","","","","Local laboratory","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 Br2 N2 O5 -","- C22 H18 Br2 N2 O5 -","- C88 H72 Br8 N8 O20 -","4","1","","Ilga Mutule; Edgars Suna; Kristofer Olofsson; Benjamin Pelcman","Catalytic Direct Acetoxylation of Indoles","Journal of Organic Chemistry","2009","74","","7195","7198","10.1021/jo901321b","","","0.71073","MoKα","","0.091","0.042","","0.117","0.071","0.071","","","1.924","1.706","1.706","1.693","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4024850","5.3328","0.0004","11.7263","0.0011","13.0644","0.0014","88.691","0.003","78.853","0.003","83.799","0.006","796.87","0.13","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H12 Br N O5 S -","- C16 H12 Br N O5 S -","- C32 H24 Br2 N2 O10 S2 -","2","1","","Ilga Mutule; Edgars Suna; Kristofer Olofsson; Benjamin Pelcman","Catalytic Direct Acetoxylation of Indoles","Journal of Organic Chemistry","2009","74","","7195","7198","10.1021/jo901321b","","","0.71073","MoKα","","0.1258","0.0723","","","0.1898","0.2369","","","","","","1.081","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024851","15.5715","0.0003","14.5131","0.0004","25.4337","0.0004","90","","99.93","0.0012","90","","5661.7","0.2","150","1","150","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C109 H162 O11 P8 Pt4 -","- C109 H162 O11 P8 Pt4 -","- C218 H324 O22 P16 Pt8 -","2","1","","Hai-Bo Yang; Brian H. Northrop; Yao-Rong Zheng; Koushik Ghosh; Peter J. Stang","Facile Self-Assembly of Neutral Dendritic Metallocycles via Oxygen-to-Platinum Coordination","Journal of Organic Chemistry","2009","74","","7067","7074","10.1021/jo9013589","","","0.71073","MoKα","","0.0753","0.0531","","","0.1051","0.1162","","","","","","1.035","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024852","15.6185","0.0002","16.1923","0.0002","29.9377","0.0004","81.5975","0.0008","81.9972","0.0007","72.5629","0.0008","7109.15","0.16","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C143 H198 O17 P8 Pt4 -","- C143 H198 O17 P8 Pt4 -","- C286 H396 O34 P16 Pt8 -","2","1","","Hai-Bo Yang; Brian H. Northrop; Yao-Rong Zheng; Koushik Ghosh; Peter J. Stang","Facile Self-Assembly of Neutral Dendritic Metallocycles via Oxygen-to-Platinum Coordination","Journal of Organic Chemistry","2009","74","","7067","7074","10.1021/jo9013589","","","0.71073","MoKα","","0.153","0.0788","","","0.1488","0.1801","","","","","","1.04","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024853","9.332","0.003","20.815","0.007","4.4127","0.0014","90","","90","","90","","857.2","0.5","93","2","93","2","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C7 H11 F5 O2 -","- C7 H11 F5 O2 -","- C28 H44 F20 O8 -","4","0.5","","Daniel Farran; Alexandra M. Z. Slawin; Peer Kirsch; David O'Hagan","Diastereoselective Synthesis of 2,3,4,5,6-Pentafluoroheptanes","Journal of Organic Chemistry","2009","74","","7168","7171","10.1021/jo901360e","","","0.71073","MoKα","","0.2049","0.1595","","","0.3786","0.4403","","","","","","1.926","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024854","6.363","0.003","7.681","0.003","23.808","0.009","90","","95.68","0.03","90","","1157.8","0.8","93","2","93","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H23 F5 O6 S2 -","- C21 H23 F5 O6 S2 -","- C42 H46 F10 O12 S4 -","2","1","","Daniel Farran; Alexandra M. Z. Slawin; Peer Kirsch; David O'Hagan","Diastereoselective Synthesis of 2,3,4,5,6-Pentafluoroheptanes","Journal of Organic Chemistry","2009","74","","7168","7171","10.1021/jo901360e","","","0.71073","MoKα","","0.245","0.194","","","0.4657","0.4947","","","","","","1.61","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024855","12.544","0.004","6.009","0.002","30.39","0.009","90","","93.885","0.01","90","","2285.4","1.3","93","2","93","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 F5 O6 S2 -","- C21 H23 F5 O6 S2 -","- C84 H92 F20 O24 S8 -","4","1","","Daniel Farran; Alexandra M. Z. Slawin; Peer Kirsch; David O'Hagan","Diastereoselective Synthesis of 2,3,4,5,6-Pentafluoroheptanes","Journal of Organic Chemistry","2009","74","","7168","7171","10.1021/jo901360e","","","0.71073","MoKα","","0.1948","0.1507","","","0.4221","0.4478","","","","","","1.133","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024856","10.1109","0.0012","14.683","0.0018","20.472","0.003","90","","99.815","0.002","90","","2994.8","0.6","123","2","123","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C60 H75 Br5 O5 -","- C60 H75 Br5 O5 -","- C120 H150 Br10 O10 -","2","1","","Katerina Kogan; Silvio E. Biali","Incorporation of Substituents at the Methylene Linkages of the Calix[5]arene Skeleton","Journal of Organic Chemistry","2009","74","","7172","7175","10.1021/jo901450x","","","0.71073","MoKα","","0.0572","0.0399","","","0.0853","0.0902","","","","","","0.993","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024857","15.4464","0.0011","16.094","0.0012","16.5413","0.0012","90.307","0.001","102.042","0.001","115.366","0.001","3612.9","0.5","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C75 H110 O10 -","- C75 H110 O10 -","- C150 H220 O20 -","2","1","","Katerina Kogan; Silvio E. Biali","Incorporation of Substituents at the Methylene Linkages of the Calix[5]arene Skeleton","Journal of Organic Chemistry","2009","74","","7172","7175","10.1021/jo901450x","","","0.71073","MoKα","","0.0846","0.0704","","","0.1911","0.2008","","","","","","1.036","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024858","14.479","0.002","10.3508","0.0015","8.772","0.0013","90","","94.713","0.003","90","","1310.2","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N O2 -","- C14 H14 Cl N O2 -","- C56 H56 Cl4 N4 O8 -","4","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.0473","0.0399","","","0.1106","0.1343","","","","","","1.171","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024859","9.1464","0.0013","29.614","0.004","9.9453","0.0014","90","","90.732","0.003","90","","2693.6","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Cl N O2 -","- C14 H14 Cl N O2 -","- C112 H112 Cl8 N8 O16 -","8","2","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.1068","0.081","","","0.1866","0.2074","","","","","","1.178","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024860","14.654","0.003","10.349","0.002","8.7921","0.0017","90","","94.599","0.003","90","","1329.1","0.5","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 Br N O2 -","- C14 H14 Br N O2 -","- C56 H56 Br4 N4 O8 -","4","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.071","0.0555","","","0.1559","0.179","","","","","","1.077","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024861","8.567","0.005","22.285","0.012","6.976","0.004","90","","90.694","0.01","90","","1331.7","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.0398","0.0333","","","0.0876","0.0975","","","","","","1.088","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024862","6.225","0.002","10.639","0.004","21.229","0.007","90","","90","","90","","1405.8","0.8","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C56 H56 N8 O16 -","4","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.1086","0.0946","","","0.1978","0.2038","","","","","","1.309","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024863","10.2065","0.0019","9.2995","0.0017","28.631","0.005","90","","90","","90","","2717.5","0.9","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C112 H112 N16 O32 -","8","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.0584","0.0414","","","0.116","0.1318","","","","","","1.069","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024864","13.327","0.003","6.6298","0.0014","15.688","0.003","90","","100.725","0.002","90","","1361.9","0.5","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O2 -","- C15 H17 N O2 -","- C60 H68 N4 O8 -","4","1","","Uttam Kumar Das; Darshak R Trivedi; N. N. Adarsh; Parthasarathi Dastidar","Supramolecular Synthons in Noncovalent Synthesis of a Class of Gelators Derived from Simple Organic Salts: Instant Gelation of Organic Fluids at Room Temperature via in Situ Synthesis of the Gelators","Journal of Organic Chemistry","2009","74","","7111","7121","10.1021/jo901463k","","","0.71073","MoKα","","0.0624","0.0503","","","0.1405","0.1532","","","","","","1.03","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024865","10.0278","0.0002","7.7271","0.0002","12.667","0.0002","90","","92.688","0.001","90","","980.43","0.04","273","2","273","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 N O9 -","- C20 H23 N O9 -","- C40 H46 N2 O18 -","2","1","","Madhuri Manpadi; Artem S. Kireev; Igor V. Magedov; Jeff Altig; Paul Tongwa; Mikhail Yu. Antipin; Antonio Evidente; Willem A. L. van Otterlo; Alexander Kornienko","Synthesis of Structurally Simplified Analogues of Pancratistatin: Truncation of the Cyclitol Ring","Journal of Organic Chemistry","2009","74","","7122","7131","10.1021/jo901494r","","","1.54178","CuKα","","0.0475","0.0404","","","0.1021","0.1077","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024866","10.1897","0.0006","10.7592","0.0007","10.8037","0.0006","96.225","0.002","106.497","0.002","117.853","0.002","962.65","0.1","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N O2 S -","- C23 H25 N O2 S -","- C46 H50 N2 O4 S2 -","2","1","","Jennifer A. Kozak; Jennifer M. Dodd; Tyler J. Harrison; Katherine J. Jardine; Brian O. Patrick; Gregory R. Dake","Enamides and Enesulfonamides as Nucleophiles: Formation of Complex Ring Systems through a Platinum(II)-Catalyzed Addition/Friedel-Crafts Pathway","Journal of Organic Chemistry","2009","74","","6929","6935","10.1021/jo901512m","","","0.71073","MoKα","","0.0544","0.0449","","","0.1219","0.1301","","","","","","1.042","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024867","9.2986","0.001","9.4653","0.001","9.7386","0.001","109.869","0.005","106.046","0.005","97.731","0.005","749.55","0.14","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 F3 N O -","- C18 H18 F2.997 N O -","- C36 H36 F5.994 N2 O2 -","2","1","","Jennifer A. Kozak; Jennifer M. Dodd; Tyler J. Harrison; Katherine J. Jardine; Brian O. Patrick; Gregory R. Dake","Enamides and Enesulfonamides as Nucleophiles: Formation of Complex Ring Systems through a Platinum(II)-Catalyzed Addition/Friedel-Crafts Pathway","Journal of Organic Chemistry","2009","74","","6929","6935","10.1021/jo901512m","","","0.71073","MoKα","","0.0633","0.0521","","","0.1385","0.148","","","","","","1.03","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024868","9.6061","0.0003","26.6832","0.0009","8.2419","0.0003","90","","107.54","0.002","90","","2014.36","0.12","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H27 N O3 -","- C25 H27 N O3 -","- C100 H108 N4 O12 -","4","1","","Jennifer A. Kozak; Jennifer M. Dodd; Tyler J. Harrison; Katherine J. Jardine; Brian O. Patrick; Gregory R. Dake","Enamides and Enesulfonamides as Nucleophiles: Formation of Complex Ring Systems through a Platinum(II)-Catalyzed Addition/Friedel-Crafts Pathway","Journal of Organic Chemistry","2009","74","","6929","6935","10.1021/jo901512m","","","0.71073","MoKα","","0.0508","0.041","","","0.1029","0.1105","","","","","","1.021","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024869","9.1983","0.0001","9.1983","0.0001","51.2454","0.0011","90","","90","","90","","4335.81","0.11","150","2","","","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C22.5 H23.5 Cl1.5 F3 O3 -","- C22.5 H23.5 Cl1.5 F3 O3 -","- C180 H188 Cl12 F24 O24 -","8","1","","Changho Han; Francis J. Barrios; Mark V. Riofski; David A. Colby","Semisynthetic Derivatives of Sesquiterpene Lactones by Palladium-Catalyzed Arylation of the α-Methylene-γ-lactone Substructure","Journal of Organic Chemistry","2009","74","","7176","7179","10.1021/jo901533e","","","1.54184","CU-Kα","","0.046","0.046","","","0.118","0.118","","","","","","1.033","","","","has coordinates","288189","2023-12-08","15:49:02",""
"4024870","8.4424","0.0004","13.3817","0.0006","16.9812","0.0008","90","","90","","90","","1918.43","0.15","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H23 F3 O3 -","- C22 H23 F3 O3 -","- C88 H92 F12 O12 -","4","1","","Changho Han; Francis J. Barrios; Mark V. Riofski; David A. Colby","Semisynthetic Derivatives of Sesquiterpene Lactones by Palladium-Catalyzed Arylation of the α-Methylene-γ-lactone Substructure","Journal of Organic Chemistry","2009","74","","7176","7179","10.1021/jo901533e","","","1.54184","CU-Kα","","0.051","0.038","","","0.076","0.087","","","","","","1.007","","","","has coordinates","288533","2023-12-23","23:49:11",""
"4024871","7.67","0.0004","10.6575","0.0005","10.9645","0.0006","90.973","0.003","99.975","0.003","100.225","0.004","867.65","0.08","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H17 N O7 -","- C18 H17 N O7 -","- C36 H34 N2 O14 -","2","1","","Szilvia Hajdok; Jürgen Conrad; Heiko Leutbecher; Sabine Strobel; Thomas Schleid; Uwe Beifuss","The Laccase-Catalyzed Domino Reaction between Catechols and Heterocyclic 1,3-Dicarbonyls and the Unambiguous Structure Elucidation of the Products by NMR Spectroscopy and X-ray Crystal Structure Analysis","Journal of Organic Chemistry","2009","74","","7230","7237","10.1021/jo9011915","","","0.71073","MoKα","","0.1165","0.0652","","","0.1279","0.1496","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024872","10.8269","0.0001","11.0467","0.0002","13.603","0.0002","90","","110.481","0.001","90","","1524.1","0.04","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 S -","- C19 H16 S -","- C76 H64 S4 -","4","1","","P. C. Ravikumar; Lihua Yao; Fraser F. Fleming","Allylic and Allenic Halide Synthesis via NbCl5- and NbBr5-Mediated Alkoxide Rearrangements","Journal of Organic Chemistry","2009","74","","7294","7299","10.1021/jo901287f","","","0.71073","MoKα","","0.0849","0.0484","","","0.125","0.15","","","","","","1.04","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024873","12.442","0.0003","11.8819","0.0003","21.2719","0.0007","90","","103.131","0.002","90","","3062.5","0.15","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H24 O4 S -","- C14 H24 O4 S -","- C112 H192 O32 S8 -","8","4","","Paweł Chochrek; Jadwiga Frelek; Marcin Kwit; Jerzy Wicha","New Insight into Chiroptical Properties of 1,2-Diols Cyclic Sulfites.","Journal of Organic Chemistry","2009","74","","7300","7308","10.1021/jo9012964","","","0.71073","MoKα","","0.0582","0.0343","","","0.062","0.0651","","","","","","0.876","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024874","8.02","0.0008","10.4318","0.0012","11.598","0.0015","75.684","0.007","75.833","0.006","87.738","0.006","911.37","0.18","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H25.93 Br0.07 N2 O3 -","- C21 H25.93 Br0.07 N2 O3 -","- C42 H51.86 Br0.14 N4 O6 -","2","1","","Drew R. Bobeck; Hyoung Ik Lee; Andrew C. Flick; Albert Padwa","Application of Cross-Conjugated Heteroaromatic Betaines to the Synthesis of the Schizozygane Alkaloid (\±)-Strempeliopine","Journal of Organic Chemistry","2009","74","","7389","7402","10.1021/jo901336z","","","1.54178","CuKα","","0.0998","0.0893","","","0.2834","0.2911","","","","","","1.131","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024875","12.645","0.0018","11.5032","0.0016","13.9685","0.0019","90","","109.305","0.002","90","","1917.6","0.5","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H21 N O4 -","- C22 H21 N O4 -","- C88 H84 N4 O16 -","4","1","","Qi-Fang Wang; Hong Hou; Li Hui; Chao-Guo Yan","Diastereoselective Synthesis oftrans-2,3-Dihydrofurans with Pyridinium Ylide Assisted Tandem Reaction","Journal of Organic Chemistry","2009","74","","7403","7406","10.1021/jo901379h","","","0.71073","MoKα","","0.0882","0.0482","","","0.1119","0.1304","","","","","","1.039","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024877","8.698","0.0011","9.5228","0.0012","20.257","0.003","90","","90","","90","","1677.9","0.4","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 O3 -","- C21 H18 O3 -","- C84 H72 O12 -","4","1","","Qi-Fang Wang; Hong Hou; Li Hui; Chao-Guo Yan","Diastereoselective Synthesis oftrans-2,3-Dihydrofurans with Pyridinium Ylide Assisted Tandem Reaction","Journal of Organic Chemistry","2009","74","","7403","7406","10.1021/jo901379h","","","0.71073","MoKα","","0.0636","0.0553","","","0.1519","0.1599","","","","","","1.083","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024878","16.693","0.002","19.397","0.003","18.801","0.002","90","","115.585","0.002","90","","5490.7","1.2","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H16 O4 -","- C24 H16 O4 -","- C288 H192 O48 -","12","3","","Qi-Fang Wang; Hong Hou; Li Hui; Chao-Guo Yan","Diastereoselective Synthesis oftrans-2,3-Dihydrofurans with Pyridinium Ylide Assisted Tandem Reaction","Journal of Organic Chemistry","2009","74","","7403","7406","10.1021/jo901379h","","","0.71073","MoKα","","0.0917","0.0511","","","0.1372","0.1709","","","","","","1.024","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024879","7.4759","0.0015","9.3116","0.0019","10.642","0.002","76.16","0.03","74.69","0.03","81.38","0.03","690.8","0.2","173","2","173","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H11 N3 -","- C20 H11 N3 -","- C40 H22 N6 -","2","1","","Chunyan Du; Jianming Chen; Yunlong Guo; Kun Lu; Shanghui Ye; Jian Zheng; Yunqi Liu; Zhigang Shuai; Gui Yu","Dicyanovinyl Heterotetracenes: Synthesis, Solid-State Structures, and Photophysical Properties","Journal of Organic Chemistry","2009","74","","7322","7327","10.1021/jo901381f","","","0.71073","MoKα","","0.0526","0.0454","","","0.1009","0.105","","","","","","1.121","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024880","10.9729","0.0017","13.258","0.002","13.822","0.002","90","","105.06","0.002","90","","1941.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 B F2 N2 O2 -","- C21 H21 B F2 N2 O2 -","- C84 H84 B4 F8 N8 O8 -","4","1","","Lijuan Jiao; Changjiang Yu; Jilong Li; Zhaoyun Wang; Min Wu; Erhong Hao","β-Formyl-BODIPYs from the Vilsmeier-Haack Reaction","Journal of Organic Chemistry","2009","74","","7525","7528","10.1021/jo901407h","","","0.71073","MoKα","","0.0627","0.0431","","","0.1173","0.1295","","","","","","1.234","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024881","6.8054","0.001","17.464","0.003","16.883","0.003","90","","96.101","0.002","90","","1995.2","0.5","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H19 B F2 N4 -","- C23 H19 B F2 N4 -","- C92 H76 B4 F8 N16 -","4","1","","Lijuan Jiao; Changjiang Yu; Jilong Li; Zhaoyun Wang; Min Wu; Erhong Hao","β-Formyl-BODIPYs from the Vilsmeier-Haack Reaction","Journal of Organic Chemistry","2009","74","","7525","7528","10.1021/jo901407h","","","0.71073","MoKα","","0.1335","0.0512","","","0.106","0.1414","","","","","","1.001","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024882","13.1824","0.0008","14.2832","0.0009","17.092","0.001","91.782","0.005","109.531","0.005","115.968","0.006","2666.3","0.3","150","","150","","","","","","","","","6","P 1","P 1","1","","","","- C78 H148 Br4 N20 O37 P6 -","- C78 H130 Br4 N20 O37 P6 -","- C78 H130 Br4 N20 O37 P6 -","1","1","","Carla Bazzicalupi; Andrea Bencini; Silvia Biagini; Enrico Faggi; Stefano Meini; Claudia Giorgi; Alessio Spepi; Barbara Valtancoli","Exploring the Binding Ability of Phenanthroline-Based Polyammonium Receptors for Anions: Hints for Design of Selective Chemosensors for Nucleotides","Journal of Organic Chemistry","2009","74","","7349","7363","10.1021/jo901423m","","","0.71073","MoKα","","0.1686","0.0777","","","0.1769","0.218","","","","","","0.899","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024883","13.4214","0.0014","13.9761","0.0014","15.4338","0.0016","90","","90","","90","","2895.1","0.5","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H18 N2 O3 -","- C17 H18 N2 O3 -","- C136 H144 N16 O24 -","8","1","","Pinhong Chen; Lidong Cao; Chaozhong Li","Protecting-Group-Free Total Synthesis of (\±)-Subincanadine F","Journal of Organic Chemistry","2009","74","","7533","7535","10.1021/jo901444e","","","0.71073","MoKα","","0.0954","0.046","","","0.0847","0.0961","","","","","","0.862","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024884","14.311","0.001","18.352","0.001","21.109","0.001","90","","125.61","0.003","90","","4507.2","0.5","150","0.1","150","0.1","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C49 H41 B Cl4 F4 O P2 -","- C49 H41 B Cl4 F4 O P2 -","- C196 H164 B4 Cl16 F16 O4 P8 -","4","1","","Aurélie Escalle; Xavier F. Le Goff; Pascal Le Floch","Protonation of a Xantphos-Phosphole Ligand. Intramolecular Trapping of a P-H Phospholium Salt","Journal of Organic Chemistry","2009","74","","7540","7543","10.1021/jo9014485","","","0.71069","MoKα","","0.0933","0.058","","","0.1537","0.1706","","","","","","1.066","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024885","20.5543","0.0015","10.3895","0.0008","10.2119","0.0008","90","","100.464","0.001","90","","2144.5","0.3","173","2","173","2","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O2 -","- C28 H26 O2 -","- C112 H104 O8 -","4","1","","David Franz; Steven J. Robbins; René T. Boeré; Peter W. Dibble","Synthesis and Characterization of 2,7-Di(tert-butyl)pyreno[4,5-c:9,10-c']difuran and Derived Pyrenophanes","Journal of Organic Chemistry","2009","74","","7544","7547","10.1021/jo901482y","","","0.71073","MoKα","","0.0733","0.0579","","","0.1538","0.1638","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024886","20.4461","0.0012","20.4461","0.0012","16.7061","0.0019","90","","90","","90","","6983.9","1","100","2","100","2","","","101","","","","","4","I 4/m","-I 4","87","","","","- C39 H36 N2 O6 -","- C39 H37.6 N2 O6 -","- C312 H300.8 N16 O48 -","8","0.5","","David Franz; Steven J. Robbins; René T. Boeré; Peter W. Dibble","Synthesis and Characterization of 2,7-Di(tert-butyl)pyreno[4,5-c:9,10-c']difuran and Derived Pyrenophanes","Journal of Organic Chemistry","2009","74","","7544","7547","10.1021/jo901482y","","x-ray","0.71073","MoKα","","0.0735","0.0584","","","0.1603","0.1722","","","","","","1.069","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024887","11.4259","0.0005","13.7896","0.0006","15.1392","0.0007","109.741","0.0009","103.847","0.0008","101.42","0.001","2075.93","0.16","173","2","173","2","","","101","","","","","5","P -1","-P 1","2","","","","- C43 H42 Cl6 N2 O6 -","- C43 H42 Cl6 N2 O6 -","- C86 H84 Cl12 N4 O12 -","2","1","","David Franz; Steven J. Robbins; René T. Boeré; Peter W. Dibble","Synthesis and Characterization of 2,7-Di(tert-butyl)pyreno[4,5-c:9,10-c']difuran and Derived Pyrenophanes","Journal of Organic Chemistry","2009","74","","7544","7547","10.1021/jo901482y","","x-ray","0.71073","MoKα","","0.0649","0.0539","","","0.1406","0.1501","","","","","","1.051","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024888","6.7519","0.0008","11.0762","0.0014","24.916","0.004","90","","90","","90","","1863.4","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 Cl2 N2 O -","- C19 H26 Cl2 N2 O -","- C76 H104 Cl8 N8 O4 -","4","1","","Renzhong Fu; Baoguo Zhao; Yian Shi","Synthesis of (+)-CP-99,994 via Pd(0)-Catalyzed Asymmetric Allylic and Homoallylic C-H Diamination of Terminal Olefin","Journal of Organic Chemistry","2009","74","","7577","7580","10.1021/jo9015584","","","0.71073","MoKα","","0.2057","0.0764","","","0.144","0.198","","","","","","0.888","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024889","10.375","0.002","11.449","0.003","15.153","0.004","90","","90","","90","","1799.9","0.8","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H26 O4 -","- C20 H26 O4 -","- C80 H104 O16 -","4","1","","Ileana I. Rodríguez; Abimael D. Rodríguez; Hong Zhao","Aberrarone: A Gorgonian-Derived Diterpene from Pseudopterogorgia elisabethae","Journal of Organic Chemistry","2009","74","","7581","7584","10.1021/jo901578r","","","0.71073","MoKα","","0.0468","0.0344","","","0.0802","0.0849","","","","","","1.046","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024890","11.564","0.002","16.918","0.003","15.223","0.003","90","","109.86","0.03","90","","2801.1","1","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C128 H136 N8 O24 -","8","2","","Yu Sung Chun; Ka Yeon Ryu; Young Ok Ko; Joo Yeon Hong; Jongki Hong; Hyunik Shin; Sang-gi Lee","One-Pot Synthesis of 2-Pyridones via Chemo- and Regioselective Tandem Blaise Reaction of Nitriles with Propiolates","Journal of Organic Chemistry","2009","74","","7556","7558","10.1021/jo901642t","","","0.71073","MoKα","","0.0979","0.0511","","","0.1057","0.1194","","","","","","1.021","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024891","10.059","0.005","10.511","0.005","10.888","0.006","101.811","0.005","114.01","0.006","90.459","0.005","1024","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","azomethine","","","- C25 H10 B F10 N -","- C25 H10 B F10 N -","- C50 H20 B2 F20 N2 -","2","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0357","0.0322","","","0.0819","0.0843","","","","","","1.045","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024892","9.938","0.003","15.835","0.005","14.742","0.005","90","","104.326","0.0011","90","","2247.7","1.3","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C26 H12 B F10 N O -","- C26 H12 B F10 N O -","- C104 H48 B4 F40 N4 O4 -","4","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0342","0.0311","","","0.0819","0.0846","","","","","","1.056","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024893","10.685","0.002","10.787","0.002","12.386","0.0018","102.499","0.003","99.863","0.003","116.313","0.004","1189.6","0.4","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H15 B F10 N2 -","- C27 H15 B F10 N2 -","- C54 H30 B2 F20 N4 -","2","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0372","0.0316","","","0.0828","0.0872","","","","","","1.039","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024894","7.023","0.003","18.157","0.008","33.402","0.013","90","","90","","90","","4259","3","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H14 B F10 N -","- C23 H14 B F10 N -","- C184 H112 B8 F80 N8 -","8","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0665","0.0461","","","0.0972","0.1093","","","","","","0.96","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024895","12.668","0.007","14.219","0.008","16.583","0.01","90","","90.515","0.003","90","","2987","3","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C34 H16 B Cl2 F10 N -","- C34 H16 B Cl2 F10 N -","- C136 H64 B4 Cl8 F40 N4 -","4","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0904","0.046","","","0.0888","0.1076","","","","","","0.967","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024896","6.725","0.005","9.16","0.008","15.492","0.013","96.728","0.012","98.789","0.012","97.675","0.012","925.4","1.3","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H8 B F10 N O -","- C20 H8 B F10 N O -","- C40 H16 B2 F20 N2 O2 -","2","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0452","0.0387","","","0.0977","0.1016","","","","","","0.995","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024897","46.257","0.014","14.155","0.004","14.734","0.004","90","","106.447","0.0011","90","","9252","5","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C27 H11 B F10 N2 -","- C27 H11 B F10 N2 -","- C432 H176 B16 F160 N32 -","16","2","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.0357","0.0321","","","0.0768","0.0794","","","","","","1.047","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024898","10.028","0.003","10.847","0.004","12.469","0.004","72.988","0.013","74.807","0.013","77.869","0.014","1238.5","0.7","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C31 H13 B F10 N2 -","- C31 H13 B F10 N2 -","- C62 H26 B2 F20 N4 -","2","1","","Junro Yoshino; Naokazu Kano; Takayuki Kawashima","Fluorescence Properties of Simple N-Substituted Aldimines with a B-N Interaction and Their Fluorescence Quenching by a Cyanide Ion","Journal of Organic Chemistry","2009","74","","7496","7503","10.1021/jo901733b","","","0.7107","MoKα","","0.059","0.0367","","","0.0765","0.0862","","","","","","0.948","","","","has coordinates","178427","2020-10-21","18:00:00",""
"4024899","9.9503","0.0011","12.8178","0.0015","18.659","0.002","86.056","0.003","78.703","0.003","80.682","0.003","2301.2","0.5","95","2","95","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H62 Br2 S5 -","- C48 H62 Br2 S5 -","- C96 H124 Br4 S10 -","2","1","","Andrzej Rajca; Maren Pink; Shuzhang Xiao; Makoto Miyasaka; Suchada Rajca; Kausik Das; Kristin Plessel","Functionalized Thiophene-Based [7]Helicene: Chirooptical Properties versus Electron Delocalization","Journal of Organic Chemistry","2009","74","","7504","7513","10.1021/jo901769c","","","0.48595","synchrotron","","0.1161","0.0966","","","0.2632","0.2802","","","","","","1.065","","","","has coordinates,has disorder","178427","2020-10-21","18:00:00",""
"4024900","14.646","0.0012","4.7274","0.0004","18.0088","0.0014","90","","104.994","0.002","90","","1204.43","0.17","130","2","130","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H32 Br2 S2 -","- C24 H32 Br2 S2 -","- C48 H64 Br4 S4 -","2","1","","Andrzej Rajca; Maren Pink; Shuzhang Xiao; Makoto Miyasaka; Suchada Rajca; Kausik Das; Kristin Plessel","Functionalized Thiophene-Based [7]Helicene: Chirooptical Properties versus Electron Delocalization","Journal of Organic Chemistry","2009","74","","7504","7513","10.1021/jo901769c","","","0.71073","MoKα","","0.0473","0.037","","","0.0865","0.0906","","","","","","0.989","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024901","9.4168","0.0003","9.8111","0.0002","11.9374","0.0004","96.779","0.002","101.894","0.002","97.749","0.002","1057.19","0.05","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H23 N2 S2 -","- C26 H23 N2 S2 -","- C52 H46 N4 S4 -","2","1","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Dissecting Competitive Mechanisms: Thionation vs. Cycloaddition in the Reaction of Thioisomünchnones with Isothiocyanates under Microwave Irradiation","Journal of Organic Chemistry","2009","74","","7644","7650","10.1021/jo900960a","","","0.71073","MoKα","","0.0701","0.046","","","0.1073","0.121","","","","","","0.941","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024902","18.879","0.0011","24.9139","0.0015","9.4495","0.0005","90","","90","","90","","4444.6","0.4","120","2","120","2","","","","","","","","5","P c c n","-P 2ab 2ac","56","","","","- C24 H22 N2 O S2 -","- C24 H22 N2 O S2 -","- C192 H176 N16 O8 S16 -","8","1","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Dissecting Competitive Mechanisms: Thionation vs. Cycloaddition in the Reaction of Thioisomünchnones with Isothiocyanates under Microwave Irradiation","Journal of Organic Chemistry","2009","74","","7644","7650","10.1021/jo900960a","","","0.71073","MoKα","","0.1467","0.1041","","","0.2098","0.2317","","","","","","1.165","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024903","9.5042","0.0002","10.2182","0.0003","12.0526","0.0004","91.851","0.002","102.12","0.002","102.469","0.002","1113.71","0.05","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H22 N3 O2 S2 -","- C26 H22 N3 O2 S2 -","- C52 H44 N6 O4 S4 -","2","1","","David Cantillo; Martín Ávalos; Reyes Babiano; Pedro Cintas; José L. Jiménez; Mark E. Light; Juan C. Palacios","Dissecting Competitive Mechanisms: Thionation vs. Cycloaddition in the Reaction of Thioisomünchnones with Isothiocyanates under Microwave Irradiation","Journal of Organic Chemistry","2009","74","","7644","7650","10.1021/jo900960a","","","0.71073","MoKα","","0.0611","0.0436","","","0.1113","0.1216","","","","","","1.038","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024904","24.413","0.003","5.8853","0.0009","19.075","0.002","90","","126.069","0.002","90","","2215.3","0.5","173.1","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C24 H20 F3 N O3 S -","- C24 H20 F3 N O3 S -","- C96 H80 F12 N4 O12 S4 -","4","1","","Gaku Hattori; Akiko Yoshida; Yoshihiro Miyake; Yoshiaki Nishibayashi","Enantioselective Ring-Opening Reactions of Racemic Ethynyl Epoxides via Copper-Allenylidene Intermediates: Efficient Approach to Chiral β-Amino Alcohols","Journal of Organic Chemistry","2009","74","","7603","7607","10.1021/jo901064n","","","0.71075","MoKα","","","0.0517","","","","0.1203","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024905","6.614","0.004","9.211","0.006","13.474","0.009","89.016","0.009","89.595","0.008","83.854","0.009","816","0.9","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H14 B F2 N3 O4 -","- C16 H14 B F2 N3 O4 -","- C32 H28 B2 F4 N6 O8 -","2","1","","Dongchuan Wang; Jiangli Fan; Xinqin Gao; Bingshuai Wang; Shiguo Sun; Xiaojun Peng","Carboxyl BODIPY Dyes from Bicarboxylic Anhydrides: One-Pot Preparation, Spectral Properties, Photostability, and Biolabeling","Journal of Organic Chemistry","2009","74","","7675","7683","10.1021/jo901149y","","","0.71073","MoKα","","0.0662","0.0471","","","0.1197","0.1622","","","","","","1.181","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4024906","7.2069","0.0006","13.5133","0.0011","15.0135","0.0012","90","","95.028","0.006","90","","1456.5","0.2","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H11 B F2 N2 O2 -","- C16 H11 B F2 N2 O2 -","- C64 H44 B4 F8 N8 O8 -","4","1","","Dongchuan Wang; Jiangli Fan; Xinqin Gao; Bingshuai Wang; Shiguo Sun; Xiaojun Peng","Carboxyl BODIPY Dyes from Bicarboxylic Anhydrides: One-Pot Preparation, Spectral Properties, Photostability, and Biolabeling","Journal of Organic Chemistry","2009","74","","7675","7683","10.1021/jo901149y","","","0.71073","MoKα","","0.1186","0.0463","","","0.0878","0.105","","","","","","0.909","","","","has coordinates","211196","2020-10-21","18:00:00",""
"4024907","12.8153","0.0018","17.4849","0.0018","14.9184","0.0018","90","","115.128","0.003","90","","3026.5","0.6","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H28 F6 N4 O4 Zn -","- C30 H28 F6 N4 O4 Zn -","- C120 H112 F24 N16 O16 Zn4 -","4","0.5","","Jian-Ping Qu; Chao Deng; Jian Zhou; Xiu-Li Sun; Yong Tang","Switchable Reactions of Cyclopropanes with Enol Silyl Ethers. Controllable Synthesis of Cyclopentanes and 1,6-Dicarbonyl Compounds","Journal of Organic Chemistry","2009","74","","7684","7689","10.1021/jo901340v","","","0.71073","MoKα","","0.067","0.0532","","","0.1387","0.1463","","","","","","0.962","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024908","10.4978","0.0009","20.863","0.0018","12.9367","0.0012","90","","109.675","0.002","90","","2667.9","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H36 O5 Si -","- C27 H36 O5 Si -","- C108 H144 O20 Si4 -","4","1","","Jian-Ping Qu; Chao Deng; Jian Zhou; Xiu-Li Sun; Yong Tang","Switchable Reactions of Cyclopropanes with Enol Silyl Ethers. Controllable Synthesis of Cyclopentanes and 1,6-Dicarbonyl Compounds","Journal of Organic Chemistry","2009","74","","7684","7689","10.1021/jo901340v","","","0.71073","MoKα","","0.0898","0.053","","","0.1212","0.1342","","","","","","0.919","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024909","36.211","0.003","6.18","0.0004","9.3704","0.0006","90","","93.604","0.003","90","","2092.8","0.2","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C22 H18 Cl2 F4 N2 O2 -","- C22 H18 Cl2 F4 N2 O2 -","- C88 H72 Cl8 F16 N8 O8 -","4","0.5","","Santos Fustero; Paula Bello; Begoña Fernández; Carlos del Pozo; Gerald B. Hammond","AuX3-Mediated Selective Head-to-Head Dimerization of Difluoropropargyl Amides","Journal of Organic Chemistry","2009","74","","7690","7696","10.1021/jo9013436","","","1.54178","CuKα","","0.0478","0.0377","","","0.095","0.1038","","","","","","1.049","","","","has coordinates","287905","2023-11-30","18:01:52",""
"4024910","12.404","0.002","6.0569","0.001","19.995","0.003","90","","96.491","0.003","90","","1492.6","0.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C60 H56 N16 O16 -","4","1","","Manoj K. Agrawal; Pushpito K. Ghosh","Halonium Ion-Assisted Deiodination of Styrene-Based Vicinal Iodohydrins Followed by Rearrangement through Phenyl Migration","Journal of Organic Chemistry","2009","74","","7947","7950","10.1021/jo9013707","","","0.71073","MoKα","","0.1072","0.0834","","","0.1747","0.186","","","","","","1.198","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024911","16.1007","0.0018","4.9477","0.0005","19.26","0.002","90","","103.527","0.002","90","","1491.7","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C60 H56 N16 O16 -","4","1","","Manoj K. Agrawal; Pushpito K. Ghosh","Halonium Ion-Assisted Deiodination of Styrene-Based Vicinal Iodohydrins Followed by Rearrangement through Phenyl Migration","Journal of Organic Chemistry","2009","74","","7947","7950","10.1021/jo9013707","","","0.71073","MoKα","","0.1336","0.1092","","","0.2106","0.2217","","","","","","1.277","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024912","7.703","0.004","9.545","0.005","10.342","0.005","99.212","0.01","94.034","0.009","96.202","0.01","743.2","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C15 H14 N4 O4 -","- C15 H14 N4 O4 -","- C30 H28 N8 O8 -","2","1","","Manoj K. Agrawal; Pushpito K. Ghosh","Halonium Ion-Assisted Deiodination of Styrene-Based Vicinal Iodohydrins Followed by Rearrangement through Phenyl Migration","Journal of Organic Chemistry","2009","74","","7947","7950","10.1021/jo9013707","","","0.71073","MoKα","","0.1584","0.1072","","","0.1866","0.2086","","","","","","1.152","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024913","7.5749","0.0012","25.133","0.004","10.4138","0.0016","90","","94.329","0.003","90","","1976.9","0.6","273","2","273","2","","","","","","","","5","C 1 c 1","C -2yc","9","","","","- C18 H23 N O3 S3 -","- C18 H23 N O3 S3 -","- C72 H92 N4 O12 S12 -","4","1","","Devarajulu Sureshkumar; Venkataraman Ganesh; Ravindran Sasitha Vidyarini; Srinivasan Chandrasekaran","Direct Synthesis of Functionalized Unsymmetrical β-Sulfonamido Disulfides by Tetrathiomolybdate Mediated Aziridine Ring-Opening Reactions","Journal of Organic Chemistry","2009","74","","7958","7961","10.1021/jo901528e","","","0.71073","MoKα","","0.041","0.0367","","","0.0901","0.0928","","","","","","1.015","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024914","6.1238","0.0005","11.6675","0.0009","11.9189","0.0009","92.441","0.001","103.293","0.001","101.566","0.001","808.43","0.11","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H21 Br O3 -","- C18 H21 Br O3 -","- C36 H42 Br2 O6 -","2","1","","Paul A. Clarke; Andrew P. Cridland; Gabriele A. Rolla; Mudassar Iqbal; Nigel P. Bainbridge; Adrian C. Whitwood; Claire Wilson","Studies on the Synthesis of the ABC Rings of (\±)-Hexacyclinic Acid","Journal of Organic Chemistry","2009","74","","7812","7821","10.1021/jo901547k","","","0.71073","MoKα","","0.0258","0.0236","","","0.0603","0.0615","","","","","","1.043","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024915","10.1833","0.0008","16.714","0.0013","20.099","0.0015","90","","90","","90","","3420.9","0.5","110","2","110","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C32 H53 Br O3 Si2 -","- C32 H53 Br O3 Si2 -","- C128 H212 Br4 O12 Si8 -","4","1","","Paul A. Clarke; Andrew P. Cridland; Gabriele A. Rolla; Mudassar Iqbal; Nigel P. Bainbridge; Adrian C. Whitwood; Claire Wilson","Studies on the Synthesis of the ABC Rings of (\±)-Hexacyclinic Acid","Journal of Organic Chemistry","2009","74","","7812","7821","10.1021/jo901547k","","","0.71073","MoKα","","0.0365","0.0285","","","0.0559","0.0577","","","","","","0.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024916","10.3703","0.0002","17.3085","0.0003","16.8815","0.0003","90","","90.497","0.001","90","","3030.02","0.1","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 Br2 -","- C18 H14 Br2 -","- C144 H112 Br16 -","8","2","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.0703","0.0466","","","0.1083","0.1192","","","","","","1.036","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024917","8.1087","0.0002","11.577","0.0003","32.9287","0.0007","90","","90","","90","","3091.16","0.13","200","2","200","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C18 H14 Br2 -","- C18 H14 Br2 -","- C144 H112 Br16 -","8","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.0571","0.0389","","","0.1025","0.1271","","","","","","1.136","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024918","7.903","0.0001","11.57","0.0002","32.895","0.0007","90","","90","","90","","3007.84","0.09","150","2","150","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C18 H12 Br2 -","- C18 H12 Br2 -","- C144 H96 Br16 -","8","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.0606","0.0368","","","0.0767","0.0851","","","","","","0.985","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024919","8.065","0.0003","20.727","0.0008","9.305","0.0004","90","","112.974","0.002","90","","1432.08","0.1","200","2","200","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C18 H15 Br -","- C18 H15 Br -","- C72 H60 Br4 -","4","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.1284","0.0802","","","0.1782","0.1981","","","","","","1.08","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024920","7.273","0.0002","9.704","0.0003","10.507","0.0004","84.253","0.002","79.546","0.002","77.971","0.002","711.73","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H13 Br -","- C18 H13 Br -","- C36 H26 Br2 -","2","1","","Gon-Ann Lee; Wen-Chieh Wang; Shih-Fen Jiang; Chih-Yi Chang; Ru-Ting Tsai","The Crossed [2+2] Cycloaddition of 1-Phenylcyclopropene and 1-Bromo-2-phenylcyclopropene","Journal of Organic Chemistry","2009","74","","7994","7997","10.1021/jo901636k","","","0.71073","MoKα","","0.099","0.0609","","","0.1595","0.1945","","","","","","1.067","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024921","11.5859","0.0008","8.2975","0.0005","33.119","0.002","90","","99.063","0.004","90","","3144.1","0.3","150","","150","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 N2 O4 -","- C18 H18 N2 O4 -","- C144 H144 N16 O32 -","8","2","","Benoit Gourdet; Mairi E. Rudkin; Ciorsdaidh A. Watts; Hon Wai Lam","Preparation of Multisubstituted Enamides via Rhodium-Catalyzed Carbozincation and Hydrozincation of Ynamides","Journal of Organic Chemistry","2009","74","","7849","7858","10.1021/jo901658v","","","0.71073","MoKα","","0.0859","0.0799","","0.1569","0.1516","0.1569","","","","","","1.1176","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024922","9.6153","0.0004","9.6328","0.0004","10.123","0.0004","89.578","0.002","67.59","0.002","69.602","0.002","803.88","0.06","150","2","150","2","","","","","","","Ciorsdaidh Watts","4","P -1","-P 1","2","","","","- C20 H21 N O3 -","- C20 H21 N O3 -","- C40 H42 N2 O6 -","2","1","","Benoit Gourdet; Mairi E. Rudkin; Ciorsdaidh A. Watts; Hon Wai Lam","Preparation of Multisubstituted Enamides via Rhodium-Catalyzed Carbozincation and Hydrozincation of Ynamides","Journal of Organic Chemistry","2009","74","","7849","7858","10.1021/jo901658v","","","0.71073","MoKα","","0.046","0.0431","","","0.1097","0.1124","","","","","","1.069","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024923","10.7308","0.0005","16.4002","0.0007","18.9778","0.0008","90","","90","","90","","3339.9","0.3","150","2","150","2","","","","","","","Mairi Rudkin","4","P b c a","-P 2ac 2ab","61","","","","- C20 H19 N O4 -","- C20 H19 N O4 -","- C160 H152 N8 O32 -","8","1","","Benoit Gourdet; Mairi E. Rudkin; Ciorsdaidh A. Watts; Hon Wai Lam","Preparation of Multisubstituted Enamides via Rhodium-Catalyzed Carbozincation and Hydrozincation of Ynamides","Journal of Organic Chemistry","2009","74","","7849","7858","10.1021/jo901658v","","","0.71073","MoKα","","0.0476","0.0452","","","0.1059","0.1074","","","","","","1.133","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024924","11.862","0.004","5.908","0.002","12.677","0.005","90","","102.405","0.008","90","","867.7","0.6","297","1","297","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C32 H50 N2 O6 S2 -","2","1","","Mohamed Medjahdi; José C. González-Gómez; Francisco Foubelo; Miguel Yus","Stereoselective Synthesis of Azetidines and Pyrrolidines from N-tert-Butylsulfonyl(2-aminoalkyl)oxiranes","Journal of Organic Chemistry","2009","74","","7859","7865","10.1021/jo9016666","","","0.71073","MoKα","","0.1007","0.0565","","","0.1112","0.1271","","","","","","1.03","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024925","11.613","0.003","5.8224","0.0016","12.483","0.004","90","","102.266","0.006","90","","824.8","0.4","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C32 H50 N2 O6 S2 -","2","1","","Mohamed Medjahdi; José C. González-Gómez; Francisco Foubelo; Miguel Yus","Stereoselective Synthesis of Azetidines and Pyrrolidines from N-tert-Butylsulfonyl(2-aminoalkyl)oxiranes","Journal of Organic Chemistry","2009","74","","7859","7865","10.1021/jo9016666","","","0.71073","MoKα","","0.1374","0.0697","","","0.1434","0.1695","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024926","12.375","0.002","5.7906","0.001","12.893","0.002","90","","115.43","0.003","90","","834.4","0.2","294","1","294","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H25 N O3 S -","- C16 H25 N O3 S -","- C32 H50 N2 O6 S2 -","2","1","","Mohamed Medjahdi; José C. González-Gómez; Francisco Foubelo; Miguel Yus","Stereoselective Synthesis of Azetidines and Pyrrolidines from N-tert-Butylsulfonyl(2-aminoalkyl)oxiranes","Journal of Organic Chemistry","2009","74","","7859","7865","10.1021/jo9016666","","","0.71073","MoKα","","0.0841","0.0587","","","0.1372","0.1514","","","","","","1.026","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024927","22.973","0.0019","9.0132","0.0007","23.6517","0.0018","90","","115.689","0.002","90","","4413.3","0.6","296","2","296","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C19 H28 N2 O5 P S -","- C19 H28 N2 O5 P S -","- C152 H224 N16 O40 P8 S8 -","8","1","","Chuan-Cheng Liao; Jia-Liang Zhu","Investigation on Lewis Acid Mediated Diels-Alder Reactions of 2-Phosphono-2-alkenoates. Application to Total Synthesis of (\±)-α-Alasken-8-one via Reductive Alkylation of Resulting Adduct","Journal of Organic Chemistry","2009","74","","7873","7884","10.1021/jo9017292","","","0.71073","MoKα","","0.0856","0.0544","","","0.1494","0.1779","","","","","","1.011","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024928","9.045","0.0005","10.6569","0.0005","12.6186","0.0004","108.664","0.004","96.593","0.004","100.843","0.004","1111.59","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H31 N2 O5 P S -","- C20 H31 N2 O5 P S -","- C40 H62 N4 O10 P2 S2 -","2","1","","Chuan-Cheng Liao; Jia-Liang Zhu","Investigation on Lewis Acid Mediated Diels-Alder Reactions of 2-Phosphono-2-alkenoates. Application to Total Synthesis of (\±)-α-Alasken-8-one via Reductive Alkylation of Resulting Adduct","Journal of Organic Chemistry","2009","74","","7873","7884","10.1021/jo9017292","","x-ray","1.54184","CuKα","","0.0356","0.0332","","","0.0869","0.0884","","","","","","1.047","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4024929","8.259","0.002","9.835","0.003","15.008","0.006","97.156","0.009","93.314","0.009","113.986","0.006","1097.2","0.6","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H30 N2 O4 S -","- C21 H30 N2 O4 S -","- C42 H60 N4 O8 S2 -","2","1","","Chuan-Cheng Liao; Jia-Liang Zhu","Investigation on Lewis Acid Mediated Diels-Alder Reactions of 2-Phosphono-2-alkenoates. Application to Total Synthesis of (\±)-α-Alasken-8-one via Reductive Alkylation of Resulting Adduct","Journal of Organic Chemistry","2009","74","","7873","7884","10.1021/jo9017292","","","0.71073","MoKα","","0.114","0.0785","","","0.1868","0.198","","","","","","1.004","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024930","15.063","0.004","16.8","0.004","7.1328","0.0018","90","","90.619","0.005","90","","1804.9","0.8","297","2","297","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 N2 O6 -","- C18 H22 N2 O6 -","- C72 H88 N8 O24 -","4","1","","Chuan-Cheng Liao; Jia-Liang Zhu","Investigation on Lewis Acid Mediated Diels-Alder Reactions of 2-Phosphono-2-alkenoates. Application to Total Synthesis of (\±)-α-Alasken-8-one via Reductive Alkylation of Resulting Adduct","Journal of Organic Chemistry","2009","74","","7873","7884","10.1021/jo9017292","","x-ray","0.71073","MoKα","","0.0786","0.0564","","","0.1591","0.1759","","","","","","1.166","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4024931","10.5108","0.0003","20.412","0.0006","11.4447","0.0003","90","","92.583","0.002","90","","2452.93","0.12","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 Br4 Cl2 Si2 -","- C50 H44 Br4 Cl2 Si2 -","- C100 H88 Br8 Cl4 Si4 -","2","0.5","","Michael D. Weller; Benson M. Kariuki; Liam R. Cox","Synthesis of Hybrid Masked Triyne-Phenylene Axial Rods Containing (E)-β-Chlorovinylsilanes in the π-Conjugated Framework","Journal of Organic Chemistry","2009","74","","7898","7907","10.1021/jo901766p","","","1.54178","CuKα","","0.0674","0.0545","","","0.1441","0.1542","","","","","","1.049","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024932","16.3914","0.0003","9.8562","0.0002","17.5824","0.0004","90","","116.384","0.001","90","","2544.67","0.09","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C48 H61 Cl2 O6 Si2 -","- C48 H46 Cl2 O6 Si2 -","- C96 H92 Cl4 O12 Si4 -","2","0.5","","Michael D. Weller; Benson M. Kariuki; Liam R. Cox","Synthesis of Hybrid Masked Triyne-Phenylene Axial Rods Containing (E)-β-Chlorovinylsilanes in the π-Conjugated Framework","Journal of Organic Chemistry","2009","74","","7898","7907","10.1021/jo901766p","","","1.54178","CuKα","","0.0607","0.0473","","","0.1337","0.1469","","","","","","1.018","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024933","26.8036","0.0007","6.1821","0.0002","24.8527","0.0008","90","","110.146","0.002","90","","3866.2","0.2","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C20.5 H20 Cl N O3 S -","- C20.5 H20 Cl N O3 S -","- C164 H160 Cl8 N8 O24 S8 -","8","1","","Young Tak Lee; Youn Kyung Kang; Young Keun Chung","Au(I)-Catalyzed Cycloisomerization Reaction of Amide- or Ester-Tethered 1,6-Enynes to Bicyclo[3.2.0]hept-6-en-2-ones","Journal of Organic Chemistry","2009","74","","7922","7934","10.1021/jo901771p","","","0.71073","MoK-alpha","","0.0762","0.0466","","","0.1116","0.1247","","","","","","1.043","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024934","5.5358","0.0006","15.504","0.003","19.766","0.002","90","","90","","90","","1696.5","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O3 S -","- C19 H21 N O3 S -","- C76 H84 N4 O12 S4 -","4","1","","Sezgin Kiren; Albert Padwa","A Benzannulation Protocol To Prepare Substituted Aryl Amines Using a Michael-Aldol Reaction of β-Keto Sulfones","Journal of Organic Chemistry","2009","74","","7781","7789","10.1021/jo9017793","","","1.54178","CuKα","","0.0627","0.0473","","","0.0967","0.1022","","","","","","1.029","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024935","6.1093","0.0001","6.1093","0.0001","22.3025","0.0007","90","","90","","90","","832.41","0.03","150","1","150","1","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C8 H12 N2 O2 -","- C8 H12 N2 O2 -","- C32 H48 N8 O8 -","4","0.5","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0382","0.0346","","","0.0858","0.0883","","","","","","1.078","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024936","18.7559","0.0003","18.7559","0.0003","16.2998","0.0003","90","","90","","120","","4965.79","0.14","150","1","150","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C10.67 H17 N2.33 O2 -","- C10.6667 H17 N2.33333 O2 -","- C192 H306 N42 O36 -","18","1","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0466","0.0386","","","0.0936","0.0986","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024937","14.6394","0.0004","14.6394","0.0004","18.0698","0.0004","90","","90","","90","","3872.58","0.17","150","1","150","1","","","","","","","","4","P 41","P 4w","76","","","","- C20 H28 N2 O2 -","- C20 H28 N2 O2 -","- C160 H224 N16 O16 -","8","2","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0929","0.0599","","","0.1188","0.1357","","","","","","1.071","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024938","12.41","0.0002","16.4677","0.0002","13.3409","0.0003","90","","102.877","0.0009","90","","2657.83","0.08","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C30 H40 N2 O2 -","- C30 H40 N2 O2 -","- C120 H160 N8 O8 -","4","1","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0667","0.0411","","","0.0946","0.1065","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024939","13.0159","0.0004","16.1571","0.0005","14.0635","0.0003","90","","110.029","0.0017","90","","2778.67","0.13","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H41 N3 O2 -","- C30 H41 N3 O2 -","- C120 H164 N12 O8 -","4","1","","Bret R. Van Ausdall; Jeremy L. Glass; Kelly M. Wiggins; Atta M. Aarif; Janis Louie","A Systematic Investigation of Factors Influencing the Decarboxylation of Imidazolium Carboxylates","Journal of Organic Chemistry","2009","74","","7935","7942","10.1021/jo901791k","","","0.71073","MoKα","","0.0947","0.0503","","","0.1096","0.1296","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024940","11.2331","0.001","14.3356","0.0012","9.022","0.0008","90","","90.67","0.002","90","","1452.7","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H27 N O2 -","- C15 H27 N O2 -","- C60 H108 N4 O8 -","4","1","","Chan Woo Huh; Gagandeep K. Somal; Christopher E. Katz; Huaxing Pei; Yibin Zeng; Justin T. Douglas; Jeffrey Aubé","One-Pot Synthesis of Lactams Using Domino Reactions: Combination of Schmidt Reaction with Sakurai and Aldol Reactions","Journal of Organic Chemistry","2009","74","","7618","7626","10.1021/jo901843w","","","0.71073","MoKα","","0.0697","0.0535","","","0.1312","0.1399","","","","","","1.03","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024941","31.564","0.004","4.7098","0.0006","15.1845","0.0018","90","","101.074","0.003","90","","2215.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C96 H152 N8 O16 -","8","1","","Chan Woo Huh; Gagandeep K. Somal; Christopher E. Katz; Huaxing Pei; Yibin Zeng; Justin T. Douglas; Jeffrey Aubé","One-Pot Synthesis of Lactams Using Domino Reactions: Combination of Schmidt Reaction with Sakurai and Aldol Reactions","Journal of Organic Chemistry","2009","74","","7618","7626","10.1021/jo901843w","","","0.71073","MoKα","","0.0442","0.0407","","","0.1085","0.1117","","","","","","1.001","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024942","25.633","0.005","8.8841","0.0017","15.847","0.003","90","","107.075","0.004","90","","3449.8","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H31 N O2 -","- C18 H31 N O2 -","- C144 H248 N8 O16 -","8","2","","Chan Woo Huh; Gagandeep K. Somal; Christopher E. Katz; Huaxing Pei; Yibin Zeng; Justin T. Douglas; Jeffrey Aubé","One-Pot Synthesis of Lactams Using Domino Reactions: Combination of Schmidt Reaction with Sakurai and Aldol Reactions","Journal of Organic Chemistry","2009","74","","7618","7626","10.1021/jo901843w","","","0.71073","MoKα","","0.1036","0.087","","","0.2315","0.2372","","","","","","1.059","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024943","9.5311","0.0005","15.1592","0.0009","18.926","0.0011","90","","90","","90","","2734.5","0.3","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C112 H184 N8 O16 -","8","1","","Chan Woo Huh; Gagandeep K. Somal; Christopher E. Katz; Huaxing Pei; Yibin Zeng; Justin T. Douglas; Jeffrey Aubé","One-Pot Synthesis of Lactams Using Domino Reactions: Combination of Schmidt Reaction with Sakurai and Aldol Reactions","Journal of Organic Chemistry","2009","74","","7618","7626","10.1021/jo901843w","","","0.71073","MoKα","","0.0581","0.0509","","","0.1235","0.1284","","","","","","1.097","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024944","10.018","","26.454","","29.788","","90","","90","","90","","7894.3","","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C74.5 H11 N O S -","- C74.5 H11 N O S -","- C596 H88 N8 O8 S8 -","8","1","","Fang-Fang Li; Wei-Wei Yang; Guo-Bao He; Xiang Gao","Formation of Fullerooxazoles from C61HPh3-: The Regioselectivity of Heteroatom Additions","Journal of Organic Chemistry","2009","74","","8071","8077","10.1021/jo9012207","","","0.71073","MoKα","","0.206","0.0816","","","0.1736","0.233","","","","","","0.926","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4024945","6.5176","0.0002","11.669","0.0005","23.919","0.0009","90","","90","","90","","1819.13","0.12","123","","123","","","","","","","","see text","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H20 N2 O5 -","- C21 H20 N2 O5 -","- C84 H80 N8 O20 -","4","1","","Karine Guitot; Stefano Carboni; Oliver Reiser; Umberto Piarulli","Synthesis of (S)- and (R)-5-Oxo-piperazine-2-Carboxylic Acid and Its Application to Peptidomimetics","Journal of Organic Chemistry","2009","74","","8433","8436","10.1021/jo901389q","","x-ray","1.54184","CuKα","","0.0305","0.0283","","","0.0713","0.0723","","","","","","1.077","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024946","9.8547","0.0014","10.3222","0.0014","21.131","0.003","90","","90","","90","","2149.5","0.5","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H31 N3 O4 -","- C21 H31 N3 O4 -","- C84 H124 N12 O16 -","4","1","","Giordano Lesma; Nicola Landoni; Tullio Pilati; Alessandro Sacchetti; Alessandra Silvani","Tetrahydroisoquinoline-Based Spirocyclic Lactam as a Type II' β-Turn Inducing Peptide Mimetic","Journal of Organic Chemistry","2009","74","","8098","8105","10.1021/jo901480d","","","0.71073","MoKα","","0.0599","0.0436","","","0.1116","0.1218","","","","","","1.025","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024947","8.6461","0.0018","7.1193","0.0014","15.751","0.003","90","","102.406","0.018","90","","946.9","0.3","100","2","110","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C16 H26 N2 O8 -","- C16 H26 N2 O8 -","- C32 H52 N4 O16 -","2","1","","Gérald Enderlin; Claude Taillefumier; Claude Didierjean; Yves Chapleur","An Efficient Route to Acyclic C-Nucleosides and Fused-Ring Analogues of Uridine fromexo-Glycals","Journal of Organic Chemistry","2009","74","","8388","8391","10.1021/jo901604w","","x-ray","0.71073","MoKα","","0.1096","0.0745","","","0.185","0.1961","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024948","7.1811","0.0004","5.3996","0.0003","15.6994","0.001","90","","91.705","0.003","90","","608.48","0.06","293","2","293","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C11 H14 N2 O5 -","- C11 H14 N2 O5 -","- C22 H28 N4 O10 -","2","1","","Gérald Enderlin; Claude Taillefumier; Claude Didierjean; Yves Chapleur","An Efficient Route to Acyclic C-Nucleosides and Fused-Ring Analogues of Uridine fromexo-Glycals","Journal of Organic Chemistry","2009","74","","8388","8391","10.1021/jo901604w","","x-ray","0.71073","MoKα","","0.0445","0.0365","","","0.0945","0.1","","","","","","1.078","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024949","7.8862","0.0002","39.4824","0.0012","10.0829","0.0003","90","","93.878","0.002","90","","3132.29","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H17 F N2 -","- C21 H17 F N2 -","- C168 H136 F8 N16 -","8","2","","Craig J. Richmond; Roslyn M. Eadie; Alexis D. C. Parenty; Leroy Cronin","Fine Tuning Reactivity: Synthesis and Isolation of 1,2,3,12b-Tetrahydroimidazo[1,2-f]phenanthridines","Journal of Organic Chemistry","2009","74","","8196","8202","10.1021/jo901622e","","","0.71073","MoKα","","0.1018","0.0485","","","0.0912","0.1161","","","","","","0.957","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024950","8.9242","0.0003","9.0229","0.0003","19.8217","0.0008","91.739","0.002","92.412","0.002","117.762","0.002","1408.85","0.09","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H40 N4 O4 Pd -","- C28 H40 N4 O4 Pd -","- C56 H80 N8 O8 Pd2 -","2","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.0319","0.0269","","","0.0633","0.0639","","","","","","1.541","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4024951","12.1919","0.0005","13.4354","0.0006","25.0193","0.0011","90","","90","","90","","4098.2","0.3","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C17.5 H31 N4 O4.5 Pd -","- C17.5 H31 N4 O4.5 Pd -","- C140 H248 N32 O36 Pd8 -","8","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.0491","0.0321","","","0.0686","0.07","","","","","","2.106","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4024952","23.8516","0.0008","12.797","0.0004","24.0205","0.0008","90","","90","","90","","7331.8","0.4","100","2","100","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C32 H46 Cl4 N2 O4 Pd -","- C32 H46 Cl4 N2 O4 Pd -","- C256 H368 Cl32 N16 O32 Pd8 -","8","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.0624","0.0319","","","0.053","0.055","","","","","","1.441","","","","has coordinates,has disorder","211332","2020-10-21","18:00:00",""
"4024953","13.9802","0.0006","13.117","0.0006","17.1335","0.0007","90","","91.484","0.002","90","","3140.9","0.2","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 F6 N2 O4 Pd -","- C30 H36 F6 N2 O4 Pd -","- C120 H144 F24 N8 O16 Pd4 -","4","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.0746","0.0476","","","0.0851","0.0891","","","","","","1.637","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4024954","8.7011","0.0004","10.9491","0.0004","18.5054","0.0007","90","","90","","90","","1762.99","0.12","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H29 N3 O4 Pd -","- C17 H29 N3 O4 Pd -","- C68 H116 N12 O16 Pd4 -","4","1","","Suzanne R. Golisz; Nilay Hazari; Jay A. Labinger; John E. Bercaw","Activation of the C-N Bond in Nitromethane by Palladium α-Diimine Complexes","Journal of Organic Chemistry","2009","74","","8441","8443","10.1021/jo901635g","","","0.71073","MoKα","","0.041","0.0283","","","0.0372","0.0383","","","","","","1.624","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4024955","25.253","0.003","8.3071","0.0011","16.289","0.002","90","","117.351","0.002","90","","3035.1","0.7","173","","173","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 I N O4 S -","- C14 H14 I N O4 S -","- C112 H112 I8 N8 O32 S8 -","8","1","","Artur K. Mailyan; Ivan M. Geraskin; Victor N. Nemykin; Viktor V. Zhdankin","Preparation, X-ray Structure, and Oxidative Reactivity of N-(2-Iodylphenyl)tosylamides and 2-Iodylphenyl Tosylate: Iodylarenes Stabilized by Ortho-Substitution with a Sulfonyl Group","Journal of Organic Chemistry","2009","74","","8444","8447","10.1021/jo901638f","","","0.71073","MoKα","","0.0433","0.0232","","0.0492","0.0405","0.0376","","","","","","0.8979","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4024956","12.081","0.003","12.384","0.002","23.637","0.003","105.044","0.014","91.322","0.014","95.205","0.016","3397.1","1.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C74 H89 N6 O8 -","- C74 H89 N6 O8 -","- C148 H178 N12 O16 -","2","1","","Roymon Joseph; Balaji Ramanujam; Amitabha Acharya; Chebrolu P. Rao","Lower Rim 1,3-Di{bis(2-picolyl)}amide Derivative of Calix[4]arene (L) as Ratiometric Primary Sensor toward Ag+ and the Complex of Ag+ as Secondary Sensor toward Cys: Experimental, Computational, and Microscopy Studies and INHIBIT Logic Gate Properties of L","Journal of Organic Chemistry","2009","74","","8181","8190","10.1021/jo901676s","","","0.71073","MoKα","","0.1948","0.0956","","","0.252","0.2961","","","","","","0.992","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024957","12.022","0.002","9.727","0.002","18.519","0.002","90","","96.59","0.01","90","","2151.3","0.6","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","Compound JB236","","","- C20 H31 N3 O4 -","- C40 H44 N6 O8 -","- C80 H88 N12 O16 -","2","1","","José Luis Baeza; Guillermo Gerona-Navarro; Kevin Thompson; M. Jesús Pérez de Vega; Lourdes Infantes; M. Teresa García-López; Rosario González-Muñiz; Mercedes Martín-Martínez","Further Evidence for 2-Alkyl-2-carboxyazetidines as γ-Turn Inducers","Journal of Organic Chemistry","2009","74","","8203","8211","10.1021/jo901712x","","x-ray","1.5418","CuKα","","0.0642","0.058","","","0.1532","0.1586","","","","","","1.048","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024958","7.2022","0.0009","10.808","0.0013","15.863","0.002","90","","99.586","0.002","90","","1217.5","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C12 H13 Br2 N -","- C12 H13 Br2 N -","- C48 H52 Br8 N4 -","4","1","","Grant R. Krow; Ram Edupuganti; Deepa Gandla; Amit Choudhary; Guoliang Lin; Philip E. Sonnet; Charles DeBrosse; Charles W. Ross; Kevin C. Cannon; Ronald T. Raines","5(6)-anti-Substituted-2-azabicyclo[2.1.1]hexanes: A Nucleophilic Displacement Route","Journal of Organic Chemistry","2009","74","","8232","8242","10.1021/jo901725k","","","0.71073","MoKα","","0.0343","0.0286","","","0.0717","0.0759","","","","","","1.067","","","","has coordinates","287935","2023-12-01","15:07:07",""
"4024959","9.482","0.005","15.891","0.008","14.949","0.008","90","","91.943","0.008","90","","2251","2","150","2","150","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C40 H57 F3 N7 O13 S -","- C40 H57 F3 N7 O13 S -","- C80 H114 F6 N14 O26 S2 -","2","1","","Maximillian E. Mahoney; Allen Oliver; Ólöf Einarsdóttir; Joseph P. Konopelski","Synthesis of a Cyclic Pentapeptide Mimic of the Active Site His-Tyr Cofactor of Cytochrome c Oxidase","Journal of Organic Chemistry","2009","74","","8212","8218","10.1021/jo901744y","","","0.7749","synchrotron","","0.1504","0.0845","","","0.1995","0.2432","","","","","","0.983","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024960","9.6761","0.0008","10.4335","0.0008","14.268","0.0006","90","","90","","90","","1440.43","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C76 H84 N4 O8 -","4","1","","Margareta Horvat; Helmut Görner; Klaus-Dieter Warzecha; Jörg Neudörfl; Axel G. Griesbeck; Kata Mlinarić-Majerski; Nikola Basarić","Photoinitiated Domino Reactions: N-(Adamantyl)phthalimides and N-(Adamantylalkyl)phthalimides","Journal of Organic Chemistry","2009","74","","8219","8231","10.1021/jo901753z","","","0.71073","MoKα","","0.0403","0.0327","","","0.0744","0.0765","","","","","","1.037","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024961","7.3253","0.0007","11.185","0.003","11.3358","0.0018","113.131","0.006","99.921","0.007","106.091","0.009","778","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C40 H46 N2 O4 -","2","1","","Margareta Horvat; Helmut Görner; Klaus-Dieter Warzecha; Jörg Neudörfl; Axel G. Griesbeck; Kata Mlinarić-Majerski; Nikola Basarić","Photoinitiated Domino Reactions: N-(Adamantyl)phthalimides and N-(Adamantylalkyl)phthalimides","Journal of Organic Chemistry","2009","74","","8219","8231","10.1021/jo901753z","","","0.71073","MoKα","","0.0758","0.0445","","","0.0961","0.1048","","","","","","0.988","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024962","9.8165","0.0007","9.4087","0.0007","32.345","0.002","90","","97.08","0.003","90","","2964.6","0.4","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C19 H21 N O2 -","- C19 H21 N O2 -","- C152 H168 N8 O16 -","8","1","","Margareta Horvat; Helmut Görner; Klaus-Dieter Warzecha; Jörg Neudörfl; Axel G. Griesbeck; Kata Mlinarić-Majerski; Nikola Basarić","Photoinitiated Domino Reactions: N-(Adamantyl)phthalimides and N-(Adamantylalkyl)phthalimides","Journal of Organic Chemistry","2009","74","","8219","8231","10.1021/jo901753z","","","0.71073","MoKα","","0.1111","0.0418","","","0.0732","0.085","","","","","","0.829","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024963","7.0765","0.0004","8.2352","0.0003","14.3819","0.0007","76.319","0.003","83.423","0.002","88.469","0.002","808.99","0.07","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H25 N O3 -","- C20 H25 N O3 -","- C40 H50 N2 O6 -","2","1","","Margareta Horvat; Helmut Görner; Klaus-Dieter Warzecha; Jörg Neudörfl; Axel G. Griesbeck; Kata Mlinarić-Majerski; Nikola Basarić","Photoinitiated Domino Reactions: N-(Adamantyl)phthalimides and N-(Adamantylalkyl)phthalimides","Journal of Organic Chemistry","2009","74","","8219","8231","10.1021/jo901753z","","","0.71073","MoKα","","0.0639","0.041","","","0.0975","0.1071","","","","","","1.063","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024964","19.205","0.015","5.6691","0.0007","14.706","0.01","90","","109.68","0.03","90","","1507.6","1.5","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O -","- C19 H14 N2 O -","- C76 H56 N8 O4 -","4","1","","Ines Bergner; Christine Wiebe; Nino Meyer; Till Opatz","Cyclocondensation of α-Aminonitriles and Enones: A Short Access to 3,4-Dihydro-2H-pyrrole 2-carbonitriles and 2,3,5-Trisubstituted Pyrroles","Journal of Organic Chemistry","2009","74","","8243","8253","10.1021/jo901759u","","","1.54178","CuKα","","0.1392","0.072","","","0.1714","0.2071","","","","","","1.031","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024965","12.4226","0.0004","8.2183","0.0003","33.1768","0.0011","90","","92.5643","0.0015","90","","3383.7","0.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H15 Br N2 -","- C21 H15 Br N2 -","- C168 H120 Br8 N16 -","8","2","","Ines Bergner; Christine Wiebe; Nino Meyer; Till Opatz","Cyclocondensation of α-Aminonitriles and Enones: A Short Access to 3,4-Dihydro-2H-pyrrole 2-carbonitriles and 2,3,5-Trisubstituted Pyrroles","Journal of Organic Chemistry","2009","74","","8243","8253","10.1021/jo901759u","","","0.71073","MoKα","","0.0648","0.0419","","","0.0947","0.1058","","","","","","1.017","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024966","8.8072","0.0011","9.2438","0.0016","12.3485","0.0018","105.775","0.014","101.242","0.012","92.776","0.012","943.4","0.3","108","2","108","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H20 -","- C30 H20 -","- C60 H40 -","2","1","","Marcus Pillekamp; Wasim Alachraf; Iris M. Oppel; Gerald Dyker","Cage Hydrocarbons Derived from Dibenzosuberenone","Journal of Organic Chemistry","2009","74","","8355","8358","10.1021/jo9018057","","","0.71073","MoKα","","0.0603","0.0387","","","0.0892","0.0944","","","","","","0.933","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024967","8.384","0.004","19.596","0.011","11.798","0.007","90","","90","","90","","1938.4","1.7","108","2","108","2","","","","","","","","2","P n m a","-P 2ac 2n","62","","","","- C30 H22 -","- C30 H22 -","- C120 H88 -","4","0.5","","Marcus Pillekamp; Wasim Alachraf; Iris M. Oppel; Gerald Dyker","Cage Hydrocarbons Derived from Dibenzosuberenone","Journal of Organic Chemistry","2009","74","","8355","8358","10.1021/jo9018057","","","0.71073","MoKα","","0.1029","0.0416","","","0.0689","0.0774","","","","","","0.829","","","","has coordinates","288183","2023-12-08","14:42:53",""
"4024968","8.9075","0.0006","15.35","0.001","31.4301","0.0019","90","","94.193","0.005","90","","4285.9","0.5","108","2","108","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C30 H20 Cl2 -","- C30 H20 Cl2 -","- C240 H160 Cl16 -","8","2","","Marcus Pillekamp; Wasim Alachraf; Iris M. Oppel; Gerald Dyker","Cage Hydrocarbons Derived from Dibenzosuberenone","Journal of Organic Chemistry","2009","74","","8355","8358","10.1021/jo9018057","","","0.71073","MoKα","","0.0739","0.0548","","","0.1319","0.1395","","","","","","1.013","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024969","7.8454","0.0002","9.7552","0.0003","11.3075","0.0003","81.061","0.002","75.932","0.002","89.738","0.002","828.75","0.04","293","2","293","2","","","","","","","","3","P 1","P 1","1","","9β,11β-epoxy-16β-methylandrost-1,4-diene-3,17-dione","","- C20 H24 O3 -","- C20 H24 O3 -","- C40 H48 O6 -","2","2","","Rui M. A. Pinto; Jorge A. R. Salvador; Christophe Le Roux; José A. Paixão","Bismuth(III) Triflate-Catalyzed Direct Conversion of Corticosteroids into Highly Functionalized 17-Ketosteroids by Cleavage of the C17-Dihydroxyacetone Side Chain","Journal of Organic Chemistry","2009","74","","8488","8491","10.1021/jo9018478","","","0.71073","MoKα","","0.0864","0.0668","","","0.1395","0.1493","","","","","","1.109","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024970","9.2178","0.001","10.9974","0.0012","12.3831","0.0013","79.964","0.002","71.839","0.002","89.979","0.002","1172.6","0.2","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H29 N O6 -","- C24 H29 N O6 -","- C48 H58 N2 O12 -","2","1","","Benito Alcaide; Pedro Almendros; Cristina Aragoncillo; Ricardo Callejo; M. Pilar Ruiz; M. Rosario Torres","Rhodium-Catalyzed Synthesis of 3-Hydroxy-β-lactams via Oxonium Ylide Generation: Three-Component Reaction between Azetidine-2,3-diones, Ethyl Diazoacetate, and Alcohols","Journal of Organic Chemistry","2009","74","","8421","8424","10.1021/jo9019013","","","0.71073","MoKα","","0.1113","0.0558","","","0.1507","0.1764","","","","","","1.005","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024971","5.5776","0.0007","13.9511","0.0017","25.656","0.003","90","","90","","90","","1996.4","0.4","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H25 N O7 -","- C19 H25 N O7 -","- C76 H100 N4 O28 -","4","1","","Benito Alcaide; Pedro Almendros; Cristina Aragoncillo; Ricardo Callejo; M. Pilar Ruiz; M. Rosario Torres","Rhodium-Catalyzed Synthesis of 3-Hydroxy-β-lactams via Oxonium Ylide Generation: Three-Component Reaction between Azetidine-2,3-diones, Ethyl Diazoacetate, and Alcohols","Journal of Organic Chemistry","2009","74","","8421","8424","10.1021/jo9019013","","","0.71073","MoKα","","0.1735","0.0464","","","0.0832","0.106","","","","","","0.882","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024972","14.6494","0.0014","6.6182","0.0006","17.2122","0.0016","90","","99.662","0.001","90","","1645.1","0.3","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H16 F N O2 -","- C20 H16 F N O2 -","- C80 H64 F4 N4 O8 -","4","1","","Ramakrishna R. Pidaparthi; Christopher S. Junker; Mark E. Welker; Cynthia S. Day; Marcus W. Wright","Preparation of 2-Silicon-Substituted 1,3-Dienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2009","74","","8290","8297","10.1021/jo901919m","","","0.71073","MoKα","","0.0775","0.0587","","","0.1539","0.169","","","","","","1.047","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024973","10.141","0.008","12.072","0.01","21.29","0.014","90","","95.56","0.02","90","","2594","3","213","2","213","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H23 K N2 O6 Si -","- C28 H23 K N2 O6 Si -","- C112 H92 K4 N8 O24 Si4 -","4","1","","Ramakrishna R. Pidaparthi; Christopher S. Junker; Mark E. Welker; Cynthia S. Day; Marcus W. Wright","Preparation of 2-Silicon-Substituted 1,3-Dienes and Their Diels-Alder/Cross-Coupling Reactions","Journal of Organic Chemistry","2009","74","","8290","8297","10.1021/jo901919m","","","0.71073","MoKα","","0.1146","0.0749","","","0.1407","0.157","","","","","","1.085","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024974","14.9852","0.0008","5.7581","0.0003","26.3143","0.0012","90","","90","","90","","2270.6","0.2","296","2","296","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","5-methoxy-2-phenylbenzofuran","","- C15 H12 O2 -","- C15 H12 O2 -","- C120 H96 O16 -","8","1","","Ikyon Kim; Kyungsun Kim; Jungeun Choi","A Direct Approach to 5-Hydroxybenzofurans via a Platinum-Catalyzed Domino Rearrangement/5-endo-dig Cyclization Reaction of Quinols","Journal of Organic Chemistry","2009","74","","8492","8495","10.1021/jo901937u","","","0.71073","MoKα","","0.0892","0.0408","","","0.0951","0.1135","","","","","","1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024975","13.6138","0.0002","15.0083","0.0003","5.7777","0.0001","90","","101.381","0.001","90","","1157.29","0.04","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(3-fluorophenyl)-5-methoxybenzofuran ?","","- C15 H11 F O2 -","- C15 H11 F O2 -","- C60 H44 F4 O8 -","4","1","","Ikyon Kim; Kyungsun Kim; Jungeun Choi","A Direct Approach to 5-Hydroxybenzofurans via a Platinum-Catalyzed Domino Rearrangement/5-endo-dig Cyclization Reaction of Quinols","Journal of Organic Chemistry","2009","74","","8492","8495","10.1021/jo901937u","","","0.71073","MoKα","","0.0853","0.0445","","","0.1057","0.1234","","","","","","1.017","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024976","8.593","0.003","9.357","0.003","13.962","0.004","77.432","0.003","79.852","0.003","74.786","0.002","1048.8","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","2,5-Bis(3,3,3-triphenylpropynyl)pyridine","","- C55 H49 N O2 -","- C55 H49 N O2 -","- C55 H49 N O2 -","1","0.5","","Braulio Rodriguez-Molina; Ma. Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Miguel A. García-Garibay","Synthesis, Characterization, and Rotational Dynamics of Crystalline Molecular Compasses with N-Heterocyclic Rotators","Journal of Organic Chemistry","2009","74","","8554","8565","10.1021/jo901261j","","","0.71073","MoKα","","0.0929","0.0599","","","0.1527","0.1729","","","","","","1.064","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024977","9.0114","0.0001","15.1195","0.0002","24.9752","0.0005","90","","95.069","0.001","90","","3389.51","0.09","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","3,6-Bis(3,3,3-triphenylpropynyl)pyridazine","","- C46 H32 N2 -","- C46 H32 N2 -","- C184 H128 N8 -","4","1","","Braulio Rodriguez-Molina; Ma. Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Miguel A. García-Garibay","Synthesis, Characterization, and Rotational Dynamics of Crystalline Molecular Compasses with N-Heterocyclic Rotators","Journal of Organic Chemistry","2009","74","","8554","8565","10.1021/jo901261j","","x-ray","0.71073","MoKα","","0.1403","0.0531","","","0.1219","0.152","","","","","","0.977","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024978","14.4478","0.0003","18.0104","0.0003","14.8609","0.0004","90","","100.879","0.001","90","","3797.47","0.14","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","3,6-Bis(3,3,3-triphenylpropynyl)pyridazine","","- C47 H33 Cl3 N2 -","- C47 H33 Cl3 N2 -","- C188 H132 Cl12 N8 -","4","1","","Braulio Rodriguez-Molina; Ma. Eugenia Ochoa; Norberto Farfán; Rosa Santillan; Miguel A. García-Garibay","Synthesis, Characterization, and Rotational Dynamics of Crystalline Molecular Compasses with N-Heterocyclic Rotators","Journal of Organic Chemistry","2009","74","","8554","8565","10.1021/jo901261j","","x-ray","0.71073","MoKα","","0.133","0.0543","","","0.1268","0.1534","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4024979","13.737","0.006","17.351","0.007","18.478","0.007","77.142","0.006","80.899","0.006","79.827","0.007","4194","3","172","2","172","2","","","","","","","","5","P -1","-P 1","2","","","","- C38.38 H28.77 Cl0.77 Co4 O16 -","- C38.385 H28.77 Cl0.77 Co4 O16 -","- C153.54 H115.08 Cl3.08 Co16 O64 -","4","2","","Gagik G. Melikyan; Ryan Spencer; Edwin Abedi","Stereoselective Synthesis of meso-1,5-Cyclodecadiynes","Journal of Organic Chemistry","2009","74","","8541","8546","10.1021/jo901404f","","","0.71073","MoKα","","0.2961","0.0995","","","0.1591","0.2065","","","","","","1.064","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024980","13.9575","0.0007","10.1923","0.0005","30.3753","0.0015","90","","90","","90","","4321.2","0.4","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C26 H28 O4 -","- C26 H28 O4 -","- C208 H224 O32 -","8","1","","Gagik G. Melikyan; Ryan Spencer; Edwin Abedi","Stereoselective Synthesis of meso-1,5-Cyclodecadiynes","Journal of Organic Chemistry","2009","74","","8541","8546","10.1021/jo901404f","","","1.54178","CuKα","","0.0369","0.0327","","","0.0919","0.0952","","","","","","1.026","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024981","15.2986","0.0013","16.151","0.0014","16.5026","0.0014","81.776","0.002","72.796","0.002","86.114","0.002","3853.7","0.6","100","2","100","2","","","","","","","","2","P -1","-P 1","2","tetra(2,4,6-trimethylphenyl)pyrene","tetra(2,4,6-trimethylphenyl)pyrene","","- C94 H127 -","- C94 H127 -","- C188 H254 -","2","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1683","0.0941","","","0.2214","0.2619","","","","","","1.062","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024982","12.0829","0.001","15.8966","0.0014","15.9811","0.0014","107.21","0.002","102.618","0.002","92.657","0.002","2841","0.4","100","2","100","2","","","","","","","","2","P -1","-P 1","2","tetra(2,4,6-trimethylphenyl)pyrene","tetra(2,4,6-trimethylphenyl)pyrene","","- C72 H86 -","- C72 H86 -","- C144 H172 -","2","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1623","0.0942","","","0.2309","0.2097","","","","","","1.07","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024983","14.0028","0.0012","16.0352","0.0014","20.1183","0.0018","84.479","0.002","76.184","0.002","87.802","0.002","4365.7","0.7","100","2","100","2","","","","","","","","2","P -1","-P 1","2","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C227 H207 -","- C227 H207 -","- C227 H207 -","1","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1109","0.082","","","0.2339","0.2558","","","","","","1.047","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024984","27.309","0.002","16.35","0.0013","39.232","0.003","90","","100.78","0.002","90","","17208","3","100","2","100","2","","","","","","","","2","P 1 2/n 1","-P 2yac","13","tetra(2,4,6-trimethylphenyl)pyrene","tetra(2,4,6-trimethylphenyl)pyrene","","- C113 H112 -","- C113 H112 -","- C904 H896 -","8","2","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1304","0.0849","","","0.0938","0.1073","","","","","","1.031","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024985","12.2951","0.0012","17.3523","0.0017","11.3956","0.001","90","","100.255","0.002","90","","2392.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C56 H62 O4 S2 -","- C56 H62 O4 S2 -","- C112 H124 O8 S4 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0652","0.046","","","0.1138","0.1229","","","","","","1.044","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024986","17.706","0.008","11.613","0.005","25.186","0.011","90","","90","","90","","5179","4","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C54 H52 Cl6 O4 -","- C54.002 H52.002 Cl6.006 O4 -","- C216.008 H208.008 Cl24.024 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.156","0.0895","","","0.2471","0.2879","","","","","","1.061","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024987","17.6358","0.0012","11.6978","0.0008","25.0919","0.0018","90","","90","","90","","5176.5","0.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C54 H50 Cl8 O4 -","- C54 H50 Cl8 O4 -","- C216 H200 Cl32 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.072","0.0584","","","0.1573","0.1693","","","","","","1.048","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4024988","7.8862","0.0019","21.289","0.005","15.369","0.004","90","","95.306","0.005","90","","2569.3","1.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C56 H58 Cl4 O4 -","- C56 H58 Cl4 O4 -","- C112 H116 Cl8 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1202","0.0615","","","0.147","0.1694","","","","","","1.023","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024989","12.0718","0.0014","14.7862","0.0016","14.424","0.0017","90","","95.414","0.002","90","","2563.1","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C62 H66 O8 -","- C62 H66 O8 -","- C124 H132 O16 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0781","0.0545","","","0.1281","0.1394","","","","","","1.032","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024990","11.613","0.004","12.944","0.004","15.986","0.005","91.282","0.006","90.183","0.006","97.556","0.005","2381.5","1.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C60 H66 O6 -","- C60 H66 O6 -","- C120 H132 O12 -","2","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0856","0.0687","","","0.2072","0.25","","","","","","1.06","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024991","35.02","0.009","10.61","0.002","21.237","0.007","90","","120.837","0.008","90","","6775","3","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C76 H94 Cl4 O4 -","- C76 H94 Cl4 O4 -","- C304 H376 Cl16 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1246","0.0791","","","0.1931","0.2149","","","","","","1.044","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024992","34.929","0.005","10.6781","0.0014","21.169","0.004","90","","120.491","0.006","90","","6803.6","1.9","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C76 H94 Br4 O4 -","- C76 H94 Br4 O4 -","- C304 H376 Br16 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1625","0.0867","","","0.2166","0.2524","","","","","","1.048","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024993","20.317","0.004","21.978","0.004","22.803","0.004","90","","108.346","0.006","90","","9665","3","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C64 H66 O6 -","- C64 H66 O6 -","- C512 H528 O48 -","8","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1362","0.0848","","","0.2056","0.2332","","","","","","1.033","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024994","36.839","0.007","10.4561","0.0018","21.481","0.005","90","","122.196","0.006","90","","7002","2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C84 H114 O4 -","- C84 H114 O4 -","- C336 H456 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.115","0.0787","","","0.2022","0.2265","","","","","","1.046","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024995","7.3439","0.0007","14.2407","0.0013","24.072","0.002","90","","98.076","0.002","90","","2492.5","0.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C62 H70 O4 -","- C62 H70 O4 -","- C124 H140 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0647","0.0488","","","0.1227","0.132","","","","","","1.054","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024996","7.6191","0.0011","20.742","0.003","19.84","0.003","90","","97.506","0.003","90","","3108.6","0.8","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C76 H94 O4 -","- C76 H94 O4 -","- C152 H188 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1102","0.0765","","","0.2005","0.2282","","","","","","1.055","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024997","15.5223","0.0015","10.7914","0.001","19.2348","0.0018","90","","100.249","0.002","90","","3170.6","0.5","298","2","298","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C41 H43 O2 -","- C41 H43 O2 -","- C164 H172 O8 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.146","0.0869","","","0.225","0.2607","","","","","","1.051","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4024998","7.3082","0.0008","14.4393","0.0016","23.831","0.003","90","","97.946","0.002","90","","2490.6","0.5","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C62 H68 O4 -","- C62 H68 O4 -","- C124 H136 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.111","0.0744","","","0.1873","0.2118","","","","","","1.034","","","","has coordinates","178428","2020-10-21","18:00:00",""
"4024999","7.437","0.005","14.667","0.01","24.193","0.017","90","","98.246","0.015","90","","2612","3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C61 H57 N O4 -","- C61 H67 N O4 -","- C122 H134 N2 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1855","0.0814","","","0.1742","0.2133","","","","","","1.066","","","","has coordinates,has disorder","178428","2020-10-21","18:00:00",""
"4025000","11.413","0.004","15.265","0.005","14.72","0.005","90","","92.546","0.006","90","","2561.9","1.4","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C64 H62 O4 -","- C64 H62 O4 -","- C128 H124 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0932","0.0575","","","0.1415","0.1567","","","","","","1.035","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025001","23.454","0.003","15.33","0.002","14.843","0.002","90","","103.795","0.003","90","","5182.8","1.2","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C66 H66 O4 -","- C66 H66 O4 -","- C264 H264 O16 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1174","0.0613","","","0.1175","0.1338","","","","","","1.021","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025002","14.211","0.003","14.819","0.004","14.633","0.004","90","","116.688","0.004","90","","2753.3","1.2","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C68 H62 O4 -","- C68 H62 O4 -","- C136 H124 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0992","0.0579","","","0.1394","0.1567","","","","","","1.053","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025003","20.637","0.003","21.858","0.003","22.694","0.003","90","","108.444","0.004","90","","9711","2","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C119 H109 Cl3 N2 O8 -","- C118 H108 N2 O8 -","- C472 H432 N8 O32 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1131","0.0794","","","0.1976","0.2167","","","","","","1.019","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025004","12.193","0.004","15.237","0.004","14.271","0.004","90","","94.515","0.006","90","","2643.1","1.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C64 H60 N2 O8 -","- C64 H60 N2 O8 -","- C128 H120 N4 O16 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0921","0.0564","","","0.1302","0.1463","","","","","","1.038","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4025005","19.6","0.002","9.8101","0.0012","28.475","0.004","90","","90","","90","","5475","1.2","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C70 H64 N2 O4 -","- C70 H64 N2 O4 -","- C280 H256 N8 O16 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0672","0.0528","","","0.1217","0.1309","","","","","","1.035","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025006","14.829","0.004","15.582","0.005","23.732","0.007","90","","90","","90","","5484","3","298","2","298","2","","","","","","","","3","P c a 21","P 2c -2ac","29","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C68 H70 O4 -","- C68 H70 O4 -","- C272 H280 O16 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1476","0.0793","","","0.1535","0.1791","","","","","","1.033","","","","has coordinates,has disorder","201982","2020-10-21","18:00:00",""
"4025007","13.591","0.0019","15.234","0.002","13.934","0.002","90","","114.081","0.002","90","","2634","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C24 H24 O1.6 -","- C24 H24 O1.6 -","- C120 H120 O8 -","5","1.25","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.086","0.0563","","","0.1534","0.1833","","","","","","1.032","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025008","12.918","0.0014","15.7692","0.0018","14.2495","0.0015","90","","106.017","0.002","90","","2790","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C70 H74 O4 -","- C70 H74 O4 -","- C140 H148 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0751","0.0546","","","0.1282","0.1377","","","","","","1.03","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025009","33.366","0.007","14.944","0.003","14.68","0.003","90","","92.348","0.006","90","","7314","3","298","2","298","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C94 H85 O4 -","- C94 H85 O4 -","- C376 H340 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1342","0.0769","","","0.1848","0.2121","","","","","","1.06","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025010","9.7575","0.0008","22.8431","0.0017","22.4357","0.0017","90","","98.817","0.002","90","","4941.6","0.7","100","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C64 H60 O5 -","- C64 H60 O5 -","- C256 H240 O20 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1138","0.0629","","","0.1286","0.1459","","","","","","1.029","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025011","14.227","0.002","14.854","0.003","14.478","0.003","90","","117.304","0.003","90","","2718.8","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C72 H66 O4 -","- C72 H66 O4 -","- C144 H132 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1138","0.0896","","","0.2413","0.2678","","","","","","1.087","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025012","13.591","0.0019","15.234","0.002","13.934","0.002","90","","114.081","0.002","90","","2634","0.7","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C70 H64 O4 -","- C70 H64 O4 -","- C140 H128 O8 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1175","0.0874","","","0.2193","0.2401","","","","","","1.014","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025013","20.1544","0.0014","15.6127","0.0011","13.6631","0.001","90","","100.848","0.001","90","","4222.5","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","tetra(2,6-dimethyl-4-methoxyphenyl)pyrene","","- C26 H25 O2 -","- C26 H25 O2 -","- C208 H200 O16 -","8","2","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1011","0.0672","","","0.1666","0.1838","","","","","","1.053","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025014","12.243","0.002","14.796","0.003","20.319","0.004","83.209","0.003","78.06","0.003","71.036","0.003","3400.6","1","100","2","100","2","","","","","","","","3","P -1","-P 1","2","tetra(2,6-dimethyl-4-isopropylphenyl)pyrene","tetra(2,6-dimethyl-4-isopropylphenyl)pyrene","","- C84 H96 O4 -","- C84 H96 O4 -","- C168 H192 O8 -","2","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1225","0.0672","","","0.1328","0.1534","","","","","","1.024","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025015","9.9824","0.0019","21.14","0.004","21.342","0.004","90","","98.342","0.004","90","","4455.9","1.4","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tet(2,6-dimethyl-4-methoxymethylph)pyrene","tet(2,6-dimethyl-4-methoxymethylph)pyrene","","- C24.89 H24 O1.78 -","- C24.8889 H24 O1.77778 -","- C224 H216 O16 -","9","2.25","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1169","0.0697","","","0.2073","0.2095","","","","","","1.055","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025016","17.038","0.001","22.0085","0.0013","21.7584","0.0012","90","","110.527","0.001","90","","7640.9","0.8","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","tetra(2,6-dimethyl-4-methoxybenzyl)pyrene","tetra(2,6-dimethyl-4-methoxybenzyl)pyrene","","- C92 H124 O4 -","- C92 H124 O4 -","- C368 H496 O16 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.174","0.0929","","","0.2008","0.2349","","","","","","1.065","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025017","29.225","0.002","11.0806","0.0009","21.7721","0.0017","90","","90","","90","","7050.5","1","100","2","100","2","","","","","","","","3","P c c a","-P 2a 2ac","54","tet(2,6-dimethyl-4-methoxymethylph)pyrene","tet(2,6-dimethyl-4-methoxymethylph)pyrene","","- C86 H112 O4 -","- C86 H112 O4 -","- C344 H448 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1458","0.083","","","0.207","0.2388","","","","","","1.055","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025018","14.388","0.002","18.329","0.002","20.827","0.003","90","","110.205","0.003","90","","5154.8","1.2","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","tet(2,6-dimethyl-4-methoxymethylph)pyrene","tet(2,6-dimethyl-4-methoxymethylph)pyrene","","- C63 H65 Cl3 O4 -","- C62 H64 O4 -","- C248 H256 O16 -","4","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1814","0.106","","","0.2804","0.3315","","","","","","1.117","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025019","19.747","0.006","16.708","0.005","16.419","0.005","90","","105.485","0.007","90","","5220","3","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","tetra(2,6-dimethyl-4-methoxybenzyl)pyrene","tetra(2,6-dimethyl-4-methoxybenzyl)pyrene","","- C126 H124 N2 O8 -","- C126 H124 N2 O8 -","- C252 H248 N4 O16 -","2","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.1911","0.0901","","","0.2438","0.3005","","","","","","0.947","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025020","8.4846","0.0011","11.1538","0.0015","15.236","0.002","69.813","0.002","82.882","0.002","83.346","0.003","1338.7","0.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","tet(2,6-dimethyl-4-methoxymethylph)pyrene","tet(2,6-dimethyl-4-methoxymethylph)pyrene","","- C72 H68 O4 -","- C72 H68 O4 -","- C72 H68 O4 -","1","0.5","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0844","0.0596","","","0.1519","0.1696","","","","","","1.053","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025021","7.2689","0.0008","24.51","0.003","11.8999","0.0013","90","","103.818","0.002","90","","2058.7","0.4","298","2","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","2,4-bis(mesityl)m-xylene","2,4-bis(mesityl)m-xylene","","- C26 H30 -","- C26 H30 -","- C104 H120 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0795","0.0579","","","0.1246","0.1339","","","","","","1.043","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025022","8.005","0.0014","24.057","0.004","12.01","0.002","90","","98.904","0.003","90","","2285","0.7","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","dimethylresorcinol","bis(2,6-dimethyl-4-methoxyphenyl)dimethylresorcinol","","- C26 H30 O4 -","- C26 H30 O4 -","- C104 H120 O16 -","4","1","","Jarugu Narasimha Moorthy; Palani Natarajan; Paloth Venugopalan","Abundant Lattice Inclusion Phenomenon with Sterically Hindered and Inherently Shape-Selective Tetraarylpyrenes","Journal of Organic Chemistry","2009","74","","8566","8577","10.1021/jo901465f","","","0.71073","MoKα","","0.0782","0.0623","","","0.1555","0.173","","","","","","1.005","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025023","9.964","0.002","14.502","0.003","16.876","0.003","75.86","0.03","79.25","0.03","75.07","0.03","2264.9","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C56 H55 N5 -","- C56 H41 N5 -","- C112 H82 N10 -","2","1","","Norbert Grzegorzek; Miłosz Pawlicki; Lechosław Latos-Grażyński","Regioselective Amination of Carbaporpholactone and N-Confused Porphyrin","Journal of Organic Chemistry","2009","74","","8547","8553","10.1021/jo901508v","","","1.54178","CuKα","","0.1106","0.0567","","","0.1506","0.169","","","","","","1.075","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025024","5.577","0.0003","16.9946","0.001","13.0891","0.0008","90","","92.842","0.001","90","","1239.04","0.12","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 O4 -","- C14 H14 O4 -","- C56 H56 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0593","0.0492","","","0.0863","0.0878","","","","","","1.932","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025025","17.9005","0.0011","5.8609","0.0004","25.563","0.0016","90","","90","","90","","2681.9","0.3","180","1","180","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H13 Cl O4 -","- C14 H13 Cl O4 -","- C112 H104 Cl8 O32 -","8","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.055","0.0452","","","0.0796","0.081","","","","","","1.964","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025026","10.4867","0.0004","25.6129","0.0009","12.1381","0.0005","90","","90.252","0.001","90","","3260.2","0.2","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C144 H176 O32 -","8","2","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0894","0.0685","","","0.1347","0.1381","","","","","","1.949","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025027","6.9919","0.0003","7.435","0.0003","13.1352","0.0005","81.573","0.001","74.927","0.001","86.963","0.001","652.14","0.05","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 Cl O4 -","- C14 H13 Cl O4 -","- C28 H26 Cl2 O8 -","2","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0436","0.0406","","","0.114","0.1148","","","","","","2.257","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025028","7.3779","0.0004","22.607","0.0012","7.9039","0.0004","90","","90","","90","","1318.31","0.12","180","1","180","1","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C14 H13 Cl O4 -","- C14 H13 Cl O4 -","- C56 H52 Cl4 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0345","0.0333","","","0.0703","0.0705","","","","","","1.957","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025029","12.6729","0.0006","17.6509","0.0008","5.9633","0.0003","90","","90","","90","","1333.92","0.11","180","1","180","1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.043","0.0393","","","0.0687","0.069","","","","","","1.751","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025030","7.065","0.0004","26.7547","0.0014","8.9248","0.0005","90","","92.108","0.001","90","","1685.84","0.16","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O4 -","- C18 H22 O4 -","- C72 H88 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0637","0.0499","","","0.0825","0.0841","","","","","","1.768","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025031","17.6881","0.0009","5.8655","0.0003","27.0846","0.0015","90","","90","","90","","2810","0.3","180","1","180","1","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 Cl2 O4 -","- C14 H12 Cl2 O4 -","- C112 H96 Cl16 O32 -","8","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0425","0.0364","","","0.0745","0.0759","","","","","","1.907","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025032","7.5024","0.0003","7.9694","0.0003","12.8485","0.0004","74.347","0.001","77.51","0.001","77.066","0.001","710.94","0.04","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C14 H12 Cl2 O4 -","- C14 H12 Cl2 O4 -","- C28 H24 Cl4 O8 -","2","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0405","0.0367","","","0.1012","0.1024","","","","","","1.938","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025033","12.4109","0.0005","7.3211","0.0003","14.74","0.0005","90","","111.371","0.001","90","","1247.21","0.08","180","1","180","1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C15 H14 O4 -","- C15 H14 O4 -","- C60 H56 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0488","0.0443","","","0.1081","0.1093","","","","","","1.982","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025034","7.1614","0.0003","7.8727","0.0003","12.7902","0.0005","76.021","0.001","74.192","0.001","78.317","0.001","666.03","0.05","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0399","0.0375","","","0.1183","0.1198","","","","","","1.944","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025035","7.2743","0.0004","7.3437","0.0004","12.4759","0.0006","84.893","0.001","77.594","0.001","86.905","0.001","647.9","0.06","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0462","0.0391","","","0.0761","0.0771","","","","","","1.835","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025036","8.0094","0.0004","9.2974","0.0005","10.0005","0.0005","101.999","0.001","105.978","0.001","106.012","0.001","654.89","0.06","180","1","180","1","","","","","","","","4","P -1","-P 1","2","","","","- C15 H13 Cl O4 -","- C15 H13 Cl O4 -","- C30 H26 Cl2 O8 -","2","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0408","0.0382","","","0.1076","0.1085","","","","","","1.919","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025037","7.7985","0.0005","23.3395","0.0014","7.5683","0.0005","90","","93.53","0.001","90","","1374.92","0.15","180","1","180","1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0552","0.0405","","","0.0679","0.0695","","","","","","1.471","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025038","6.0602","0.0002","13.2865","0.0009","18.6571","0.001","90","","90","","90","","1502.25","0.14","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H19 Cl O4 -","- C16 H19 Cl O4 -","- C64 H76 Cl4 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0976","0.0587","","","0.1311","0.1545","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025039","6.3016","0.0001","13.5401","0.0005","18.7259","0.0007","90","","90","","90","","1597.77","0.09","150","1","150","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H19 Cl O4 -","- C17 H19 Cl O4 -","- C68 H76 Cl4 O16 -","4","1","","Ashraf Wilsily; Eric Fillion","Asymmetric Synthesis of All-Carbon Benzylic Quaternary Stereocenters via Conjugate Addition to Alkylidene and Indenylidene Meldrum's Acids","Journal of Organic Chemistry","2009","74","","8583","8594","10.1021/jo901559d","","","0.71073","MoKα","","0.0686","0.0464","","","0.1074","0.1207","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025040","9.856","0.002","7.3947","0.0018","11.096","0.002","90","","101.068","0.018","90","","793.7","0.3","298","2","298","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C19 H19 N O2 -","- C19 H19 N O2 -","- C38 H38 N2 O4 -","2","0.5","","Jui-Chi Tsai; Sie-Rong Li; Michael Y. Chiang; Lian-Yeu Chen; Po-Yuan Chen; Yi-Fang Lo; Chen-Hao Wang; Chun-Nan Lin; Eng-Chi Wang","Synthesis of 3-Alkoxymethylcoumarin from 3-Cyanochromene via a Novel Intermediate 2-Phenylimino-3-alkoxymethylchromene","Journal of Organic Chemistry","2009","74","","8798","8801","10.1021/jo9015634","","","0.71073","MoKα","","0.0536","0.0409","","","0.1224","0.1332","","","","","","1.069","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025041","20.763","0.004","10.506","0.002","19.102","0.004","90","","90","","90","","4167","1.4","293","2","173","2","","","","","","","","3","P c c n","-P 2ab 2ac","56","","","","- C23 H22 N8 -","- C23 H22 N8 -","- C184 H176 N64 -","8","1","","En-Xuan Zhang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis of (NH)m(NMe)4-m-Bridged Calix[4]pyridines and the Effect of NH Bridge on Structure and Properties","Journal of Organic Chemistry","2009","74","","8595","8603","10.1021/jo901609u","","","0.71073","MoKα","","0.0758","0.0446","","","0.0993","0.1102","","","","","","1.043","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025042","22.734","0.005","10.295","0.002","17.953","0.004","90","","112.86","0.03","90","","3871.7","1.3","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H20 N8 -","- C22 H20 N8 -","- C176 H160 N64 -","8","1","","En-Xuan Zhang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis of (NH)m(NMe)4-m-Bridged Calix[4]pyridines and the Effect of NH Bridge on Structure and Properties","Journal of Organic Chemistry","2009","74","","8595","8603","10.1021/jo901609u","","","0.71073","MoKα","","0.0903","0.0716","","","0.1489","0.1569","","","","","","1.202","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025043","13.971","0.003","9.757","0.002","17.757","0.004","90","","102.14","0.03","90","","2366.5","0.8","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N8 O3 -","- C23 H28 N8 O3 -","- C92 H112 N32 O12 -","4","1","","En-Xuan Zhang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis of (NH)m(NMe)4-m-Bridged Calix[4]pyridines and the Effect of NH Bridge on Structure and Properties","Journal of Organic Chemistry","2009","74","","8595","8603","10.1021/jo901609u","","","0.71073","MoKα","","0.0622","0.0545","","","0.1199","0.125","","","","","","1.1","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025044","9.0201","0.0018","11.398","0.002","25.984","0.006","90","","108.07","0.03","90","","2539.7","0.9","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C24 H32 N8 O4 -","- C24 H32 N8 O4 -","- C96 H128 N32 O16 -","4","1","","En-Xuan Zhang; De-Xian Wang; Zhi-Tang Huang; Mei-Xiang Wang","Synthesis of (NH)m(NMe)4-m-Bridged Calix[4]pyridines and the Effect of NH Bridge on Structure and Properties","Journal of Organic Chemistry","2009","74","","8595","8603","10.1021/jo901609u","","","0.71073","MoKα","","0.0946","0.0842","","","0.1854","0.1908","","","","","","1.245","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025045","12.17","0.02","17.79","0.03","29.23","0.05","90","","90","","90","","6328","18","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C51 H89 N15 O25 -","- C51 H75 N15 O25 -","- C204 H300 N60 O100 -","4","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Polyaza Cryptand Receptor Selective for Dihydrogen Phosphate","Journal of Organic Chemistry","2009","74","","8638","8646","10.1021/jo901742d","","","0.71073","MoKα","","0.124","0.0729","","","0.1847","0.2109","","","","","","1.021","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025046","13.1972","0.0004","15.0825","0.0005","19.0406","0.0005","84.423","0.002","79.896","0.002","79.271","0.002","3657.8","0.19","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H93 N9 O34 P4 -","- C51 H75 N9 O34 P4 -","- C102 H150 N18 O68 P8 -","2","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Polyaza Cryptand Receptor Selective for Dihydrogen Phosphate","Journal of Organic Chemistry","2009","74","","8638","8646","10.1021/jo901742d","","","0.71073","MoKα","","0.1185","0.0745","","","0.1895","0.2211","","","","","","1.038","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025047","12.8516","0.0017","15.2203","0.0019","33.144","0.004","90","","91.517","0.006","90","","6480.9","1.4","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C51 H95 N9 O26 S4 -","- C51 H95 N9 O26 S4 -","- C204 H380 N36 O104 S16 -","4","1","","Pedro Mateus; Rita Delgado; Paula Brandão; Vítor Félix","Polyaza Cryptand Receptor Selective for Dihydrogen Phosphate","Journal of Organic Chemistry","2009","74","","8638","8646","10.1021/jo901742d","","","0.71073","MoKα","","0.0741","0.0494","","","0.136","0.1553","","","","","","1.05","","","","has coordinates","198633","2020-10-21","18:00:00",""
"4025048","11.1345","0.0001","18.9292","0.0002","15.6921","0.0002","90","","90","","90","","3307.38","0.06","150","2","150","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","Hart 1731","","","- C16 H26 O3 Si -","- C16 H26 O3 Si -","- C128 H208 O24 Si8 -","8","1","","Dexi Yang; Valerie Cwynar; Matthew G. Donahue; David J. Hart; Grace Mbogo","Two Approaches to Diverting the Course of a Free-Radical Cyclization: Application of Cyclopropylcarbinyl Radical Fragmentations and Allenes as Radical Acceptors","Journal of Organic Chemistry","2009","74","","8726","8732","10.1021/jo901834q","","x-ray","0.71073","MoKα","","0.0561","0.037","","","0.0919","0.0993","","","","","","1.044","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025049","12.786","0.0004","6.0794","0.0002","14.2698","0.0004","90","","99.934","0.002","90","","1092.58","0.06","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H13 Br O -","- C13 H13 Br O -","- C52 H52 Br4 O4 -","4","1","","Jing Li; Wangqing Kong; Yihua Yu; Chunling Fu; Shengming Ma","Studies on Electrophilic Reaction of Tertiary 2,3-Allenols with NBS in H2O or Aqueous MeCN: An Efficient Selective Synthesis of 2-Bromoallylic Ketones, 1,2-Allenyl Ketones, or 3-Bromo-2,5-dihydrofurans","Journal of Organic Chemistry","2009","74","","8733","8738","10.1021/jo9018717","","","0.71073","MoKα","","0.0216","0.0204","","","0.0516","0.0524","","","","","","1.041","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025050","7.5594","0.0003","13.6697","0.0005","9.4364","0.0003","90","","93.73","0.001","90","","973.04","0.06","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 O -","- C12 H12 O -","- C48 H48 O4 -","4","1","","Jing Li; Wangqing Kong; Yihua Yu; Chunling Fu; Shengming Ma","Studies on Electrophilic Reaction of Tertiary 2,3-Allenols with NBS in H2O or Aqueous MeCN: An Efficient Selective Synthesis of 2-Bromoallylic Ketones, 1,2-Allenyl Ketones, or 3-Bromo-2,5-dihydrofurans","Journal of Organic Chemistry","2009","74","","8733","8738","10.1021/jo9018717","","","0.71073","MoKα","","0.0411","0.0373","","","0.0997","0.1044","","","","","","1.073","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025051","14.371","0.003","33.097","0.006","16.454","0.003","90","","98.486","0.002","90","","7740","2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C82 H77 N9 O30 -","- C82 H77 N9 O30 -","- C328 H308 N36 O120 -","4","1","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.1314","0.0633","","","0.1462","0.1848","","","","","","0.981","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025052","11.0982","0.0007","15.2542","0.001","29.06","0.0019","102.749","0.001","96.537","0.001","97.012","0.001","4711.9","0.5","150","","150","","","","","","","","","5","P -1","-P 1","2","","","","- C103 H106 Cl3 N3 O24 -","- C103 H106 Cl3 N3 O24 -","- C206 H212 Cl6 N6 O48 -","2","1","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.1128","0.0826","","","0.237","0.2641","","","","","","1.045","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025053","11.4996","0.0007","54.937","0.003","12.8226","0.0008","90","","90","","90","","8100.7","0.8","120","","120","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C96 H102 O18 -","- C96 H102 O18 -","- C384 H408 O72 -","4","0.5","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.0742","0.0522","","","0.1195","0.1305","","","","","","1.02","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025054","10.7454","0.0012","11.3338","0.0013","14.0895","0.0016","66.501","0.001","78.233","0.001","87.074","0.001","1539.7","0.3","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C66 H70 Cl6 O12 -","- C66 H70 Cl6 O12 -","- C66 H70 Cl6 O12 -","1","0.5","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.0955","0.0684","","","0.1855","0.207","","","","","","1.061","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025055","11.1208","0.0011","27.95","0.003","29.147","0.003","90","","90.863","0.001","90","","9058.6","1.6","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C92 H89 N3 O24 -","- C92 H88.97 N3 O24 -","- C368 H355.88 N12 O96 -","4","0.5","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.1","0.0726","","","0.2157","0.233","","","","","","1.079","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025056","20.852","0.003","14.75","0.0019","30.387","0.004","90","","92.455","0.002","90","","9337","2","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C93 H96 Cl12 O18 -","- C93 H96 Cl12 O18 -","- C372 H384 Cl48 O72 -","4","1","","Masahide Tominaga; Hyuma Masu; Isao Azumaya","Construction and Charge-Transfer Complexation of Adamantane-Based Macrocycles and a Cage with Aromatic Ring Moieties","Journal of Organic Chemistry","2009","74","","8754","8760","10.1021/jo9018842","","","0.71073","MoKα","","0.1417","0.0765","","","0.2053","0.2352","","","","","","1.03","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025057","7.3834","0.0008","22.903","0.003","8.4719","0.0009","90","","90.116","0.002","90","","1432.6","0.3","153","2","153","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 N3 -","- C18 H17 N3 -","- C72 H68 N12 -","4","1","","Ali H. Younes; Lu Zhang; Ronald J. Clark; Lei Zhu","Fluorescence of 5-Arylvinyl-5'-Methyl-2,2'-Bipyridyl Ligands and Their Zinc Complexes","Journal of Organic Chemistry","2009","74","","8761","8772","10.1021/jo901889y","","","0.71073","MoKα","","0.0471","0.0432","","","0.109","0.112","","","","","","0.981","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025058","8.681","0.006","16.982","0.012","11.343","0.008","90","","90.511","0.013","90","","1672","2","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","spirobisaminoester HCl salt","","","- C11 H20 Cl2 N2 O4 -","- C11 H20 Cl2 N2 O4 -","- C44 H80 Cl8 N8 O16 -","4","1","","Robin A. Weatherhead; Michael D. Carducci; Eugene A. Mash","Synthesis of Conformationally Constrained Diaminodicarboxylic Acid Derivatives","Journal of Organic Chemistry","2009","74","","8773","8778","10.1021/jo901892d","","","0.71073","MoKα","","0.2342","0.0643","","","0.0953","0.131","","","","","","0.774","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4025059","10.2758","0.0006","7.1597","0.0004","16.6143","0.001","90","","92.775","0.001","90","","1220.91","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","trans 1,4 bis-N-CBZ-1,4-dimethyl ester","trans 1,4-bis-phenoxycarbonylamino-cyclohexane-1,4-dicarboxylic acid dimethyl ester","","- C26 H30 N2 O8 -","- C26 H30 N2 O8 -","- C52 H60 N4 O16 -","2","0.5","","Robin A. Weatherhead; Michael D. Carducci; Eugene A. Mash","Synthesis of Conformationally Constrained Diaminodicarboxylic Acid Derivatives","Journal of Organic Chemistry","2009","74","","8773","8778","10.1021/jo901892d","","","0.71073","MoKα","","0.0734","0.0393","","","0.088","0.1043","","","","","","0.997","","","","has coordinates","192777","2020-10-21","18:00:00",""
"4025060","10.7517","0.0011","36.694","0.004","9.4807","0.001","90","","115.835","0.002","90","","3366.5","0.6","170","2","170","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","UNGIII30","","","- C31 H47 N3 O9 -","- C31 H47 N3 O9 -","- C124 H188 N12 O36 -","4","1","","Robin A. Weatherhead; Michael D. Carducci; Eugene A. Mash","Synthesis of Conformationally Constrained Diaminodicarboxylic Acid Derivatives","Journal of Organic Chemistry","2009","74","","8773","8778","10.1021/jo901892d","","","0.71073","MoKα","","0.199","0.0678","","","0.1701","0.2258","","","","","","0.895","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025061","7.7824","0.0008","9.1091","0.0009","11.1134","0.0011","98.037","0.002","106.442","0.002","100.826","0.002","726.43","0.13","170","2","170","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H36 N2 O8 -","- C34 H36 N2 O8 -","- C34 H36 N2 O8 -","1","0.5","","Robin A. Weatherhead; Michael D. Carducci; Eugene A. Mash","Synthesis of Conformationally Constrained Diaminodicarboxylic Acid Derivatives","Journal of Organic Chemistry","2009","74","","8773","8778","10.1021/jo901892d","","","0.71073","MoKα","","0.0794","0.0418","","","0.0787","0.0864","","","","","","0.867","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025062","15.592","0.003","5.6985","0.0011","16.475","0.003","90","","101.865","0.003","90","","1432.5","0.5","100","","100","","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","","","- C32 H36 O7 -","- C32 H36 O7 -","- C64 H72 O14 -","2","1","","Christian Brand; Gesche Rauch; Michele Zanoni; Birger Dittrich; Daniel B. Werz","Synthesis of [n,5]-Spiroketals by Ring Enlargement of Donor-Acceptor-Substituted Cyclopropane Derivatives","Journal of Organic Chemistry","2009","74","","8779","8786","10.1021/jo901902g","","","0.71073","","","0.1469","0.0475","","","","0.0254","","","","","","1.7993","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025063","9.462","0.002","10.521","0.002","11.851","0.002","90","","113.029","0.003","90","","1085.8","0.4","100","","100","","","","","","","","synthesis","3","P 1 21 1","P 2yb","4","","","","- C22 H32 O8 -","- C22 H32 O8 -","- C44 H64 O16 -","2","1","","Christian Brand; Gesche Rauch; Michele Zanoni; Birger Dittrich; Daniel B. Werz","Synthesis of [n,5]-Spiroketals by Ring Enlargement of Donor-Acceptor-Substituted Cyclopropane Derivatives","Journal of Organic Chemistry","2009","74","","8779","8786","10.1021/jo901902g","","","0.71073","","","0.0621","0.0352","","","","0.0303","","","","","","2.0481","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025064","26.262","0.003","26.262","0.003","5.8835","0.0007","90","","90","","90","","4057.8","0.8","100","","100","","","","","","","","synthesis","3","I 41/a :2","-I 4ad","88","","","","- C12 H14 O2 -","- C12 H14 O2 -","- C192 H224 O32 -","16","1","","Christian Brand; Gesche Rauch; Michele Zanoni; Birger Dittrich; Daniel B. Werz","Synthesis of [n,5]-Spiroketals by Ring Enlargement of Donor-Acceptor-Substituted Cyclopropane Derivatives","Journal of Organic Chemistry","2009","74","","8779","8786","10.1021/jo901902g","","","0.71073","","","0.0731","0.0304","","","","0.0288","","","","","","1.8176","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025065","9.6195","0.0006","9.2017","0.0006","15.6271","0.001","90","","93.652","0.001","90","","1380.44","0.15","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C28 H42 O6 -","- C28 H42 O6 -","- C56 H84 O12 -","2","1","","J. S. Yadav; Sk. Samad Hossain; Madasu Madhu; Debendra K. Mohapatra","Formal Total Synthesis of (-)-Saliniketals","Journal of Organic Chemistry","2009","74","","8822","8825","10.1021/jo901913h","","","0.71073","MoKα","","0.0341","0.0326","","","0.0869","0.0885","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025066","7.5161","0.0014","10.5364","0.0015","18.313","0.003","90","","90","","90","","1450.2","0.4","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Rodney A. Fernandes; Asim K. Chowdhury","Total Syntheses of All Stereoisomers of Phenatic Acid B","Journal of Organic Chemistry","2009","74","","8826","8829","10.1021/jo901927w","","","0.71073","MoKα","","0.103","0.0578","","","0.0858","0.098","","","","","","0.979","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025067","8.2341","0.0017","9.967","0.003","18.314","0.004","90","","90","","90","","1503","0.6","150","2","150","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O4 -","- C16 H20 O4 -","- C64 H80 O16 -","4","1","","Rodney A. Fernandes; Asim K. Chowdhury","Total Syntheses of All Stereoisomers of Phenatic Acid B","Journal of Organic Chemistry","2009","74","","8826","8829","10.1021/jo901927w","","","0.71073","MoKα","","0.0819","0.0514","","","0.1355","0.1582","","","","","","1.007","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025068","29.549","0.01","5.6866","0.0018","15.507","0.005","90","","109.502","0.007","90","","2456.2","1.4","298","2","298","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","2","","Tao-Shan Jiang; Ri-Yuan Tang; Xing-Guo Zhang; Xin-Hua Li; Jin-Heng Li","Palladium-Catalyzed Intramolecular 5-exo-dig Hydroarylations of N-Arylpropiolamides: Thermodynamics-Controlled Stereoselective Synthesis of 3-Methyleneoxindoles","Journal of Organic Chemistry","2009","74","","8834","8837","10.1021/jo901963g","","","0.71073","MoKα","","0.103","0.0724","","","0.1283","0.1433","","","","","","1.043","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025069","29.549","0.01","5.6866","0.0018","15.507","0.005","90","","109.502","0.007","90","","2456.2","1.4","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H13 N O -","- C16 H13 N O -","- C128 H104 N8 O8 -","8","1","","Tao-Shan Jiang; Ri-Yuan Tang; Xing-Guo Zhang; Xin-Hua Li; Jin-Heng Li","Palladium-Catalyzed Intramolecular 5-exo-dig Hydroarylations of N-Arylpropiolamides: Thermodynamics-Controlled Stereoselective Synthesis of 3-Methyleneoxindoles","Journal of Organic Chemistry","2009","74","","8834","8837","10.1021/jo901963g","","","0.71073","MoKα","","0.1304","0.1013","","","0.1966","0.2101","","","","","","1.256","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025070","8.801","0.003","27.259","0.009","13.646","0.005","90","","94.24","0.006","90","","3264.7","1.9","193","2","193","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H61 Cl P2 Pd2 -","- C28 H61 Cl P2 Pd2 -","- C112 H244 Cl4 P8 Pd8 -","4","1","","Aaron D. Finke; Eric C. Elleby; Michael J. Boyd; Haim Weissman; Jeffrey S. Moore","Zinc Chloride-Promoted Aryl Bromide-Alkyne Cross-Coupling Reactions at Room Temperature","Journal of Organic Chemistry","2009","74","","8897","8900","10.1021/jo902015w","","","0.71073","MoKα","","0.0994","0.0476","","","0.0677","0.0754","","","","","","1.119","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4025071","9.7878","0.0014","11.0201","0.0015","12.8268","0.0017","78.217","0.003","77.396","0.003","75.968","0.002","1293.1","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C33 H30 O3 -","- C33 H30 O3 -","- C66 H60 O6 -","2","1","","Zhi-Long Hu; Wen-Jian Qian; Sheng Wang; Shaozhong Wang; Zhu-Jun Yao","Construction of Multiring Frameworks by Metal-Free Cascade Reactions of Stable Isochromenylium Tetrafluoroborate","Journal of Organic Chemistry","2009","74","","8787","8793","10.1021/jo902051g","","","0.71073","MoKα","","0.0936","0.0622","","","0.1489","0.1659","","","","","","0.894","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025072","9.7649","0.001","21.734","0.002","12.0813","0.0012","90","","95.058","0.002","90","","2554","0.4","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C33 H30 O3 -","- C33 H30 O3 -","- C132 H120 O12 -","4","1","","Zhi-Long Hu; Wen-Jian Qian; Sheng Wang; Shaozhong Wang; Zhu-Jun Yao","Construction of Multiring Frameworks by Metal-Free Cascade Reactions of Stable Isochromenylium Tetrafluoroborate","Journal of Organic Chemistry","2009","74","","8787","8793","10.1021/jo902051g","","","0.71073","MoKα","","0.0818","0.0475","","","0.1183","0.1309","","","","","","0.927","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025073","14.2746","0.0013","15.1428","0.0015","10.7242","0.001","90","","111.083","0.002","90","","2162.9","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 O4 -","- C27 H26 O4 -","- C108 H104 O16 -","4","1","","Zhi-Long Hu; Wen-Jian Qian; Sheng Wang; Shaozhong Wang; Zhu-Jun Yao","Construction of Multiring Frameworks by Metal-Free Cascade Reactions of Stable Isochromenylium Tetrafluoroborate","Journal of Organic Chemistry","2009","74","","8787","8793","10.1021/jo902051g","","","0.71073","MoKα","","0.1095","0.0585","","","0.1252","0.1444","","","","","","0.929","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025074","7.9151","0.0005","13.3763","0.0008","11.229","0.0007","90","","107.127","0.005","90","","1136.15","0.12","110","1","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H12 O3 -","- C14 H12 O3 -","- C56 H48 O12 -","4","1","","Julie Moreau; Claudie Hubert; Jessika Batany; Loic Toupet; Thierry Roisnel; Jean-Pierre Hurvois; Jean-Luc Renaud","Metal-Free Brønsted Acid Catalyzed Formal [3 + 3] Annulation. Straightforward Synthesis of Dihydro-2H-Chromenones, Pyranones, and Tetrahydroquinolinones","Journal of Organic Chemistry","2009","74","","8963","8973","10.1021/jo901238y","","","0.71069","MoKα","","0.0457","0.0349","","","0.1068","0.1111","","","","","","1.036","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025075","6.0871","0.0003","8.8078","0.0005","24.0887","0.0011","90","","90","","90","","1291.49","0.11","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 O2 -","- C16 H20 O2 -","- C64 H80 O8 -","4","1","","Julie Moreau; Claudie Hubert; Jessika Batany; Loic Toupet; Thierry Roisnel; Jean-Pierre Hurvois; Jean-Luc Renaud","Metal-Free Brønsted Acid Catalyzed Formal [3 + 3] Annulation. Straightforward Synthesis of Dihydro-2H-Chromenones, Pyranones, and Tetrahydroquinolinones","Journal of Organic Chemistry","2009","74","","8963","8973","10.1021/jo901238y","","x-ray","0.71073","MoKα","","0.0334","0.0327","","","0.0828","0.0831","","","","","","1.114","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025076","22.379","0.004","5.8742","0.001","12.425","0.002","90","","111.065","0.003","90","","1524.2","0.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Cl4 N2 O4 -","- C12 H12 Cl4 N2 O4 -","- C48 H48 Cl16 N8 O16 -","4","0.5","","Piron, Flavia; Vanthuyne, Nicolas; Joulin, Bérangère; Naubron, Jean-Valère; Cismaş, Crina; Terec, Anamaria; Varga, Richard Attila; Roussel, Christian; Roncali, Jean; Grosu, Ion","Synthesis, Structural Analysis, and Chiral Investigations of Some Atropisomers with EE-Tetrahalogeno-1,3-butadiene Core","Journal of Organic Chemistry","2009","74","23","9062","9070","10.1021/jo901762j","","","0.71073","MoKα","","0.0657","0.0554","","","0.1088","0.1133","","","","","","1.137","","","","has coordinates","210088","2020-10-21","18:00:00",""
"4025077","22.162","0.004","6.3307","0.001","12.776","0.002","90","","113.885","0.002","90","","1639","0.5","297","2","297","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H12 Br4 N2 O4 -","- C12 H12 Br4 N2 O4 -","- C48 H48 Br16 N8 O16 -","4","0.5","","Piron, Flavia; Vanthuyne, Nicolas; Joulin, Bérangère; Naubron, Jean-Valère; Cismaş, Crina; Terec, Anamaria; Varga, Richard Attila; Roussel, Christian; Roncali, Jean; Grosu, Ion","Synthesis, Structural Analysis, and Chiral Investigations of Some Atropisomers with EE-Tetrahalogeno-1,3-butadiene Core","Journal of Organic Chemistry","2009","74","23","9062","9070","10.1021/jo901762j","","","0.71073","MoKα","","0.0722","0.0585","","","0.1403","0.1486","","","","","","1.041","","","","has coordinates","210088","2020-10-21","18:00:00",""
"4025078","17.1722","0.001","11.5894","0.0007","19.7178","0.0012","90","","103.073","0.001","90","","3822.4","0.4","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H12 I4 N2 O4 -","- C12 H11.5 I4 N2 O4 -","- C96 H92 I32 N16 O32 -","8","2","","Piron, Flavia; Vanthuyne, Nicolas; Joulin, Bérangère; Naubron, Jean-Valère; Cismaş, Crina; Terec, Anamaria; Varga, Richard Attila; Roussel, Christian; Roncali, Jean; Grosu, Ion","Synthesis, Structural Analysis, and Chiral Investigations of Some Atropisomers with EE-Tetrahalogeno-1,3-butadiene Core","Journal of Organic Chemistry","2009","74","23","9062","9070","10.1021/jo901762j","","","0.71073","MoKα","","0.0639","0.0554","","","0.1142","0.1181","","","","","","1.103","","","","has coordinates","210088","2020-10-21","18:00:00",""
"4025079","7.0073","0.0004","13.0187","0.0009","12.0229","0.0007","90","","105.946","0.004","90","","1054.6","0.11","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","ESMedin_cmpd1","","","- C25 H28 O5 -","- C25 H28 O5 -","- C50 H56 O10 -","2","1","","MinJin Kang; Brian D. Jones; Alexander L. Mandel; Justin C. Hammons; Antonio G. DiPasquale; Arnold L. Rheingold; James J. La Clair; Michael D. Burkart","Isolation, Structure Elucidation, and Antitumor Activity of Spirohexenolides A and B","Journal of Organic Chemistry","2009","74","","9054","9061","10.1021/jo901826d","","","1.54178","CuKα","","0.057","0.046","","","0.1062","0.1114","","","","","","1.048","","","","has coordinates","204147","2020-10-21","18:00:00",""
"4025080","6.9077","0.0003","13.0543","0.0006","23.0708","0.001","90","","93.289","0.003","90","","2076.99","0.16","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C25 H28 O4 -","- C25 H28 O4 -","- C100 H112 O16 -","4","2","","MinJin Kang; Brian D. Jones; Alexander L. Mandel; Justin C. Hammons; Antonio G. DiPasquale; Arnold L. Rheingold; James J. La Clair; Michael D. Burkart","Isolation, Structure Elucidation, and Antitumor Activity of Spirohexenolides A and B","Journal of Organic Chemistry","2009","74","","9054","9061","10.1021/jo901826d","","","1.54178","CuKα","","0.0493","0.0398","","","0.097","0.1039","","","","","","1.011","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025081","9.0585","0.0018","6.9906","0.0014","25.138","0.005","90","","92.14","0.03","90","","1590.7","0.5","160","2","160","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C20 H10 N6 -","- C20 H10 N6 -","- C80 H40 N24 -","4","1","","Gary J. Richards; Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis D'Souza; Paul A. Karr; Mark R. J. Elsegood; Simon J. Teat; Toshiyuki Mori; Katsuhiko Ariga","Pyrazinacenes: Aza Analogues of Acenes","Journal of Organic Chemistry","2009","74","","8914","8923","10.1021/jo901832n","","","0.71073","MoKα","","0.0628","0.0413","","","0.102","0.1203","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025082","19.105","0.0016","38.439","0.003","13.545","0.0011","90","","132.782","0.002","90","","7300.6","1","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H10 N8 -","- C22 H10 N8 -","- C352 H160 N128 -","16","2","","Gary J. Richards; Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis D'Souza; Paul A. Karr; Mark R. J. Elsegood; Simon J. Teat; Toshiyuki Mori; Katsuhiko Ariga","Pyrazinacenes: Aza Analogues of Acenes","Journal of Organic Chemistry","2009","74","","8914","8923","10.1021/jo901832n","","","0.7749","synchrotron","","0.0724","0.0415","","","0.1025","0.1213","","","","","","1.001","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025083","17.6352","0.0009","16.8426","0.0008","6.6854","0.0003","90","","107.786","0.003","90","","1890.81","0.16","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 N6 O2 -","- C22 H16 N6 O2 -","- C88 H64 N24 O8 -","4","0.5","","Gary J. Richards; Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis D'Souza; Paul A. Karr; Mark R. J. Elsegood; Simon J. Teat; Toshiyuki Mori; Katsuhiko Ariga","Pyrazinacenes: Aza Analogues of Acenes","Journal of Organic Chemistry","2009","74","","8914","8923","10.1021/jo901832n","","","0.7749","synchrotron","","0.0673","0.0406","","","0.0997","0.1126","","","","","","1.021","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025084","16.414","0.003","24.064","0.005","7.5344","0.0015","90","","108.78","0.03","90","","2817.7","1","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H28 N10 O2 -","- C32 H28 N10 O2 -","- C128 H112 N40 O8 -","4","0.5","","Gary J. Richards; Jonathan P. Hill; Navaneetha K. Subbaiyan; Francis D'Souza; Paul A. Karr; Mark R. J. Elsegood; Simon J. Teat; Toshiyuki Mori; Katsuhiko Ariga","Pyrazinacenes: Aza Analogues of Acenes","Journal of Organic Chemistry","2009","74","","8914","8923","10.1021/jo901832n","","","0.71073","MoKα","","0.1066","0.0538","","","0.1237","0.1667","","","","","","0.999","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025085","10.3554","0.0019","32.575","0.005","10.4974","0.0018","90","","100.23","0.01","90","","3484.8","1","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","C37H34N6O7","","","- C37 H34 N6 O7 -","- C37 H34 N6 O7 -","- C148 H136 N24 O28 -","4","1","","Hemraj Juwarker; Jeremy M. Lenhardt; José C. Castillo; Emily Zhao; Sibi Krishnamurthy; Ryan M. Jamiolkowski; Ki-Hyon Kim; Stephen L. Craig","Anion Binding of Short, Flexible Aryl Triazole Oligomers","Journal of Organic Chemistry","2009","74","","8924","8934","10.1021/jo901966f","","","0.71073","MoKα","","0.0971","0.0593","","","0.1405","0.1595","","","","","","1.023","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025086","5.03","0.003","18.056","0.01","23.87","0.015","105.74","0.02","95.84","0.02","92.598","0.017","2070","2","95","2","95","2","","","","","","","","3","P -1","-P 1","2","","","","- C48 H62 S5 -","- C48 H62 S5 -","- C96 H124 S10 -","2","1","","Andrzej Rajca; Makoto Miyasaka; Shuzhang Xiao; Przemysław J. Boratyński; Maren Pink; Suchada Rajca","Intramolecular Cyclization of Thiophene-Based [7]Helicenes to Quasi-[8]Circulenes","Journal of Organic Chemistry","2009","74","","9105","9111","10.1021/jo902030u","","","0.43321","synchrotron","","0.2941","0.1451","","","0.341","0.3898","","","","","","1.358","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025087","9.629","0.0019","10.042","0.002","25.85","0.005","90","","90","","90","","2499.5","0.9","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O3 S -","- C26 H28 N2 O3 S -","- C104 H112 N8 O12 S4 -","4","1","","Tommy Bui; Mar Borregan; Carlos F. Barbas","Expanding the Scope of Cinchona Alkaloid-Catalyzed Enantioselective α-Aminations of Oxindoles: A Versatile Approach to Optically Active 3-Amino-2-oxindole Derivatives","Journal of Organic Chemistry","2009","74","","8935","8938","10.1021/jo902039a","","","0.71073","MoKα","","0.0813","0.0684","","","0.1515","0.1583","","","","","","1.177","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025088","14.195","0.0002","5.9546","0.0001","17.0522","0.0003","90","","95.036","0.001","90","","1435.78","0.04","100","","100","","","","","","","","Synthesized by the authors. See text","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H16 O3 -","- C18 H16 O3 -","- C72 H64 O12 -","4","1","","David Marcoux; Sébastien R. Goudreau; André B. Charette","trans-Directing Ability of the Amide Group: Enabling the Enantiocontrol in the Synthesis of 1,1-Dicarboxy Cyclopropanes. Reaction Development, Scope, and Synthetic Applications","Journal of Organic Chemistry","2009","74","","8939","8955","10.1021/jo902066y","","","1.54178","CuKα","","0.041","0.0355","","","0.0977","0.101","","","","","","1.033","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025089","11.1535","0.0006","15.5488","0.0008","10.3661","0.0006","90","","90","","90","","1797.73","0.17","150","","150","","","","","","","","Synthesized by the authors. See text","4","P n a 21","P 2c -2n","33","","","","- C19 H26 N2 O3 -","- C19 H26 N2 O3 -","- C76 H104 N8 O12 -","4","1","","David Marcoux; Sébastien R. Goudreau; André B. Charette","trans-Directing Ability of the Amide Group: Enabling the Enantiocontrol in the Synthesis of 1,1-Dicarboxy Cyclopropanes. Reaction Development, Scope, and Synthetic Applications","Journal of Organic Chemistry","2009","74","","8939","8955","10.1021/jo902066y","","","1.54178","CuKα","","0.0296","0.0295","","","0.082","0.082","","","","","","1.056","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025090","15.752","0.005","17.354","0.005","11.609","0.005","90","0.005","99.716","0.005","90","0.005","3127.9","1.9","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H24 I2 N4 O2 -","- C36 I2 N4 O2 -","- C144 I8 N16 O8 -","4","1","","Christophe Laroche; Sean M. Kerwin","Efficient, Regioselective Access to Bicyclic Imidazo[1,2-x]- Heterocycles via Gold- and Base-Promoted Cyclization of 1-Alkynylimidazoles","Journal of Organic Chemistry","2009","74","","9229","9232","10.1021/jo902073m","","","0.7107","MoKα","","0.1098","0.0605","","","0.1112","0.1167","","","","","","1.805","","","","has coordinates,has disorder","178429","2020-10-21","18:00:00",""
"4025091","8.1","0.003","8.189","0.003","24.65","0.008","90","","90","","90","","1635","1","123.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O4 S -","- C16 H20 N2 O4 S -","- C64 H80 N8 O16 S4 -","4","1","","Tetsuya Tsujihara; Toshio Shinohara; Kazuhiro Takenaka; Shinobu Takizawa; Kiyotaka Onitsuka; Minoru Hatanaka; Hiroaki Sasai","Enantioselective Intramolecular Oxidative Aminocarbonylation of Alkenylureas Catalyzed by Palladium-Spiro Bis(isoxazoline) Complexes","Journal of Organic Chemistry","2009","74","","9274","9279","10.1021/jo901778a","","","0.71069","MoKα","","","0.0249","","","","0.0686","","","","","","0.737","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025092","6.996","0.006","26.305","0.004","11.977","0.006","90","","90","","90","","2204","2","198.1","","","","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C23 H38 N2 O2 -","- C23 H38 N2 O2 -","- C92 H152 N8 O8 -","4","0.5","","Tetsuya Tsujihara; Toshio Shinohara; Kazuhiro Takenaka; Shinobu Takizawa; Kiyotaka Onitsuka; Minoru Hatanaka; Hiroaki Sasai","Enantioselective Intramolecular Oxidative Aminocarbonylation of Alkenylureas Catalyzed by Palladium-Spiro Bis(isoxazoline) Complexes","Journal of Organic Chemistry","2009","74","","9274","9279","10.1021/jo901778a","","","0.71069","MoKα","","","0.0652","","","","0.0852","","","","","","1.109","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025093","21.325","0.009","15.977","0.004","61.3","0.03","90","","96.74","0.03","90","","20742","14","143.1","","","","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C46 H76 B2 F8 N4 O4 Pd -","- C46 H76 B2 F8 N4 O4 Pd -","- C736 H1216 B32 F128 N64 O64 Pd16 -","16","2","","Tetsuya Tsujihara; Toshio Shinohara; Kazuhiro Takenaka; Shinobu Takizawa; Kiyotaka Onitsuka; Minoru Hatanaka; Hiroaki Sasai","Enantioselective Intramolecular Oxidative Aminocarbonylation of Alkenylureas Catalyzed by Palladium-Spiro Bis(isoxazoline) Complexes","Journal of Organic Chemistry","2009","74","","9274","9279","10.1021/jo901778a","","","0.71069","MoKα","","","0.0944","","","","0.0974","","","","","","1.157","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025094","11.405","0.001","14.664","0.001","13.714","0.001","90","","107.231","0.001","90","","2190.6","0.3","150","0.1","150","0.1","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C24 H38 O5 -","- C24 H38 O5 -","- C96 H152 O20 -","4","1","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0566","0.0411","","","0.109","0.1173","","","","","","1.064","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025095","17.88","0.001","9.248","0.001","13.031","0.001","90","","98.493","0.001","90","","2131.1","0.3","150","0.1","150","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H40 O3 -","- C23 H40 O3 -","- C92 H160 O12 -","4","1","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0669","0.0415","","","0.0993","0.1098","","","","","","1.009","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025096","9.457","0.001","13.107","0.001","28.175","0.001","90","","90","","90","","3492.4","0.5","150","0.1","150","0.1","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H36 O3 -","- C20 H36 O3 -","- C160 H288 O24 -","8","1","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0932","0.0449","","","0.1","0.1134","","","","","","1.006","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025097","32.566","0.001","8.215","0.001","18.22","0.001","90","","118.655","0.001","90","","4277.4","0.6","150","0.1","150","0.1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H40 O4 -","- C23 H40 O4 -","- C184 H320 O32 -","8","1","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0679","0.0454","","","0.1258","0.1374","","","","","","1.087","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025098","21.298","0.001","10.326","0.001","19.407","0.001","90","","90","","90","","4268","0.5","150","0.1","150","0.1","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C23 H40 O4 -","- C23 H40 O4 -","- C184 H320 O32 -","8","2","","Lionel Gentric; Xavier Le Goff; Louis Ricard; Issam Hanna","Toward the Total Synthesis of Vinigrol: Synthesis of epi-C-8-Dihydrovinigrol","Journal of Organic Chemistry","2009","74","","9337","9344","10.1021/jo901971f","","","0.71069","MoKα","","0.0681","0.0469","","","0.1096","0.1191","","","","","","1.02","","","","has coordinates","178429","2020-10-21","18:00:00",""
"4025099","9.124","0.0017","12.179","0.002","11.372","0.002","90","","98.493","0.015","90","","1249.8","0.4","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C34 H25 O P -","- C34 H25 O P -","- C68 H50 O2 P2 -","2","1","","Elena D. Matveeva; Tatyana A. Podrugina; Anna S. Pavlova; Andrey V. Mironov; Anatoliy A. Borisenko; Rolf Gleiter; Nikolay S. Zefirov","Heterocycles from Phosphonium-Iodonium Ylides. Photochemical Synthesis of λ5-Phosphinolines","Journal of Organic Chemistry","2009","74","","9428","9432","10.1021/jo901984q","","","0.71069","MoKα","","0.0343","0.0343","","","0.0429","0.0429","","","","1.15","1.15","1.15","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025100","37.312","0.006","37.312","0.006","10.224","0.003","90","","90","","120","","12327","5","293","","293","","","","","","","","","4","R -3 :H","-R 3","148","","","","- C35 H33 O P -","- C35.0033 H32.392 O P -","- C630.06 H583.056 O18 P18 -","18","1","","Elena D. Matveeva; Tatyana A. Podrugina; Anna S. Pavlova; Andrey V. Mironov; Anatoliy A. Borisenko; Rolf Gleiter; Nikolay S. Zefirov","Heterocycles from Phosphonium-Iodonium Ylides. Photochemical Synthesis of λ5-Phosphinolines","Journal of Organic Chemistry","2009","74","","9428","9432","10.1021/jo901984q","","","0.71069","MoKα","","0.0361","0.0361","","","0.0457","0.0457","","","","1.14","1.14","1.14","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025101","6.245","0.002","18.983","0.009","15.263","0.007","90","","94.87","0.03","90","","1802.8","1.3","296.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Cl3 N O4 -","- C15 H17 Cl3 N O4 -","- C60 H68 Cl12 N4 O16 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.049","","","","0.0644","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025102","6.263","0.003","19.199","0.004","15.512","0.002","90","","96.16","0.02","90","","1854.5","1","297.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H17 Br3 N O4 -","- C15 H17 Br3 N O4 -","- C60 H68 Br12 N4 O16 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0688","","","","0.0664","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025103","13.518","0.003","14.76","0.003","13.255","0.003","90","","90","","90","","2644.8","1","295.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 Cl2 N2 O6 -","- C24 H34 Cl2 N2 O6 -","- C96 H136 Cl8 N8 O24 -","4","0.5","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0539","","","","0.0647","","","","","","1.152","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025104","13.609","0.003","14.887","0.003","13.149","0.004","90","","90","","90","","2663.8","1","295.1","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H34 Br2 N2 O6 -","- C24 H34 Br2 N2 O6 -","- C96 H136 Br8 N8 O24 -","4","0.5","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0629","","","","0.0656","","","","","","0.945","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025105","7.925","0.003","24.122","0.004","13.993","0.003","90","","98.51","0.02","90","","2645.3","1.2","295.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H34 Cl2 N2 O6 -","- C24 H34 Cl2 N2 O6 -","- C96 H136 Cl8 N8 O24 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0882","","","","0.0671","","","","","","1.186","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025106","7.979","0.005","24.521","0.006","13.898","0.005","90","","98.42","0.04","90","","2690","2","295.1","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C24 H34 Br2 N2 O6 -","- C24 H34 Br2 N2 O6 -","- C96 H136 Br8 N8 O24 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0579","","","","0.0654","","","","","","1.169","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025107","7.9452","0.0005","13.993","0.003","22.1344","0.0016","90","","93.841","0.002","90","","2455.2","0.5","292.1","","292.1","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H36 F2 N4 O4 -","- C24 H36 F2 N4 O4 -","- C96 H144 F8 N16 O16 -","4","1","","Shin'ichi Nakatsuji; Mitsunori Nobusawa; Hideto Suzuki; Hiroki Akutsu; Jun-ichi Yamada","Spin-Carrying Benzoquinone Derivatives","Journal of Organic Chemistry","2009","74","","9345","9350","10.1021/jo902007m","","","0.71069","MoKα","","","0.0766","","","","0.0876","","","","","","1.155","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025108","10.9881","0.0019","4.3351","0.0007","20.561","0.004","90","","98.561","0.003","90","","968.5","0.3","180","2","180","2","","","","","","","","3","P 1 2/n 1","-P 2yac","13","","","","- C11 H10 N4 -","- C11 H10 N4 -","- C44 H40 N16 -","4","1","","Liyan Xing; Charline Wiegert; Anne Petitjean","Stereochemical and Conformational Exchanges inN,N'-Di(2-pyridyl)formamidines: An X-ray and1H NMR Study","Journal of Organic Chemistry","2009","74","","9513","9516","10.1021/jo9020453","","","0.71073","MoKα","","0.0436","0.0331","","","0.0843","0.0893","","","","","","0.973","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025109","8.2926","0.0013","10.0449","0.0017","17.18","0.003","90","","93.255","0.002","90","","1428.8","0.4","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C68 H68 N4 O4 -","4","1","","Kanniyappan Parthasarathy; Chien-Hong Cheng","Easy Access to Isoquinolines and Tetrahydroquinolines from Ketoximes and Alkynes via Rhodium-Catalyzed C-H Bond Activation","Journal of Organic Chemistry","2009","74","","9359","9364","10.1021/jo902084j","","","0.71073","MoKα","","0.067","0.0516","","","0.1397","0.1531","","","","","","1.054","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025110","5.684","0.004","8.214","0.005","8.368","0.005","71.037","0.017","82.51","0.02","82.59","0.02","364.8","0.4","113.1","","113","","","","","","","","","3","P -1","-P 1","2","","","","- C9 H8 Cl -","- C9 H8 Cl -","- C18 H16 Cl2 -","2","1","","Taigo Kashiwabara; Kouichirou Fuse; Takeshi Muramatsu; Masato Tanaka","Synthesis of 1,4-Dichloro-1,3-butadienes by Rhodium Complex Catalyzed Reaction of Terminal Alkynes with Trichloroacetyl Chloride","Journal of Organic Chemistry","2009","74","","9433","9439","10.1021/jo902088p","","","0.7107","MoKα","","","0.0321","","","","0.0455","","","","","","1.006","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025111","11.217","0.005","13.036","0.006","17.985","0.009","90","","90","","90","","2630","2","113.1","","113","","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C12 H30 Cl6 P4 Rh2 -","- C12 H30 Cl6 P4 Rh2 -","- C48 H120 Cl24 P16 Rh8 -","4","0.5","","Taigo Kashiwabara; Kouichirou Fuse; Takeshi Muramatsu; Masato Tanaka","Synthesis of 1,4-Dichloro-1,3-butadienes by Rhodium Complex Catalyzed Reaction of Terminal Alkynes with Trichloroacetyl Chloride","Journal of Organic Chemistry","2009","74","","9433","9439","10.1021/jo902088p","","","0.7107","MoKα","","","0.0416","","","","0.0602","","","","","","0.883","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4025112","14.1513","0.0012","8.328","0.0007","13.756","0.0011","90","","104.075","0.001","90","","1572.5","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-benzyl-4[hydroxy(phenyl)methyl]-5-methoxypyridazin-3(2H)one","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C76 H72 N8 O12 -","4","1","","Oxana Ryabtsova; Tom Verhelst; Mattijs Baeten; Christophe M. L. Vande Velde; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Bromine-Magnesium Exchange on Bromopyridazin-3(2H)-ones","Journal of Organic Chemistry","2009","74","","9440","9445","10.1021/jo9020985","","","0.71073","MoKα","","0.0503","0.0421","","","0.1174","0.1253","","","","","","1.042","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025113","8.0694","0.0011","12.6468","0.0018","13.1813","0.0018","79.055","0.002","83.076","0.002","81.635","0.002","1300.7","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","4,4'[hydroxy(phenyl)methylene]bis(2-benzyl-5-methoxypyridazin-3(2H)one","","- C31 H28 N4 O5 -","- C31 H28 N4 O5 -","- C62 H56 N8 O10 -","2","1","","Oxana Ryabtsova; Tom Verhelst; Mattijs Baeten; Christophe M. L. Vande Velde; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Bromine-Magnesium Exchange on Bromopyridazin-3(2H)-ones","Journal of Organic Chemistry","2009","74","","9440","9445","10.1021/jo9020985","","","0.71073","MoKα","","0.0522","0.0429","","","0.1102","0.1181","","","","","","1.038","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025114","9.8704","0.0016","5.8208","0.001","17.713","0.003","90","","100.994","0.002","90","","999","0.3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-benzyl-5-bromopyridazin-3(2H)one","","- C11 H9 Br N2 O -","- C11 H9 Br N2 O -","- C44 H36 Br4 N8 O4 -","4","1","","Oxana Ryabtsova; Tom Verhelst; Mattijs Baeten; Christophe M. L. Vande Velde; Bert U. W. Maes","Synthesis of Functionalized Pyridazin-3(2H)-ones via Bromine-Magnesium Exchange on Bromopyridazin-3(2H)-ones","Journal of Organic Chemistry","2009","74","","9440","9445","10.1021/jo9020985","","","0.71073","MoKα","","0.0283","0.0217","","","0.0583","0.0607","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025115","4.8386","0.001","10.616","0.002","27.704","0.006","90","","90","","90","","1423.1","0.5","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H17 Cl O4 -","- C14 H17 Cl O4 -","- C56 H68 Cl4 O16 -","4","1","","Sanzhong Luo; Yupu Qiao; Long Zhang; Jiuyuan Li; Xin Li; Jin-Pei Cheng","Asymmetric Direct Aldol Reactions of Acetoacetals Catalyzed by a Simple Chiral Primary Amine","Journal of Organic Chemistry","2009","74","","9521","9523","10.1021/jo9021259","","","0.71073","MoKα","","0.041","0.0391","","","0.0973","0.0991","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025116","7.273","0.002","22.469","0.005","9.528","0.002","90","","104.2","0.004","90","","1509.4","1","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N3 O3 -","- C17 H17 N3 O3 -","- C68 H68 N12 O12 -","4","1","","Matthew R. Smith; Alexander J. Blake; Christopher J. Hayes; Malcolm F. G. Stevens; Christopher J. Moody","Carbene Reactivity of 4-Diazo-4H-imidazoles toward Nucleophiles and Aromatic Compounds","Journal of Organic Chemistry","2009","74","","9372","9380","10.1021/jo902165w","","","0.71073","MoKα","","0.0616","0.0526","","","0.13","0.136","","","","","","1.07","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025117","8.4982","0.0007","10.9169","0.0009","11.4853","0.001","114.378","0.002","93.584","0.002","97.782","0.002","953.3","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H12 F6 N2 O2 -","- C23 H12 F6 N2 O2 -","- C46 H24 F12 N4 O4 -","2","1","","Matthew R. Smith; Alexander J. Blake; Christopher J. Hayes; Malcolm F. G. Stevens; Christopher J. Moody","Carbene Reactivity of 4-Diazo-4H-imidazoles toward Nucleophiles and Aromatic Compounds","Journal of Organic Chemistry","2009","74","","9372","9380","10.1021/jo902165w","","","0.71073","MoKα","","0.047","0.0427","","","0.117","0.121","","","","","","1.06","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4025118","11.3164","0.0012","17.6548","0.0019","20.537","0.002","90","","90","","90","","4103","0.8","293","2","293","2","","","","","","","","3","P c a b","-P 2bc 2ac","61","","","","- C27 H24 O2 -","- C27 H24 O2 -","- C216 H192 O16 -","8","1","","Liang-Feng Yao; Yin Wei; Min Shi","Silver- and Gold-Catalyzed Intramolecular Rearrangement of Propargylic Alcohols Tethered with Methylenecyclopropanes: Stereoselective Synthesis of Allenylcyclobutanols and 1-Vinyl-3-oxabicyclo[3.2.1]octan-8-one Derivatives","Journal of Organic Chemistry","2009","74","","9466","9469","10.1021/jo902261r","","","0.71073","MoKα","","0.1231","0.0777","","","0.1888","0.2259","","","","","","1.082","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4025119","13.541","0.0018","16.611","0.002","10.4723","0.0014","90","","108.179","0.003","90","","2237.9","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 O3 -","- C28 H26 O3 -","- C112 H104 O12 -","4","1","","Liang-Feng Yao; Yin Wei; Min Shi","Silver- and Gold-Catalyzed Intramolecular Rearrangement of Propargylic Alcohols Tethered with Methylenecyclopropanes: Stereoselective Synthesis of Allenylcyclobutanols and 1-Vinyl-3-oxabicyclo[3.2.1]octan-8-one Derivatives","Journal of Organic Chemistry","2009","74","","9466","9469","10.1021/jo902261r","","","0.71073","MoKα","","0.131","0.0474","","","0.0913","0.1176","","","","","","0.868","","","","has coordinates","178430","2020-10-21","18:00:00",""
"4028926","10.941","0.001","12.209","0.001","19.061","0.002","91.43","0.01","103.31","0.01","101.65","0.01","2419.9","0.4","293","2","","","","","","","","","","3","P -1","-P 1","2","","","","- C61 H48 S4 -","- C61 H48 S4 -","- C122 H96 S8 -","2","1","","Pouchain, Laurent; Alévêque, Olivier; Nicolas, Yohann; Oger, Agathe; Le Régent, Charles-Henri; Allain, Magali; Blanchard, Philippe; Roncali, Jean","Quaterthiophenes with Terminal Indeno[1,2-b]thiophene Units asp-Type Organic Semiconductors","The Journal of Organic Chemistry","2009","74","3","1054","1064","10.1021/jo802028n","","x-ray","0.71073","MoKα","","","0.0527","","","","0.1656","","","","","","0.92","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028927","9.3373","0.0001","19.3871","0.0003","16.8614","0.0003","90","","103.728","0.0009","90","","2965.11","0.08","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C33 H34 N4 O6 -","- C33 H34 N4 O6 -","- C132 H136 N16 O24 -","4","1","","Scheffelaar, Rachel; Nijenhuis, Roel A. Klein; Paravidino, Monica; Lutz, Martin; Spek, Anthony L.; Ehlers, Andreas W.; de Kanter, Frans J. J.; Groen, Marinus B.; Orru, Romano V. A.; Ruijter, Eelco","Synthesis of Conformationally Constrained Peptidomimetics using Multicomponent Reactions","The Journal of Organic Chemistry","2009","74","2","660","668","10.1021/jo802052j","","","0.71073","MoKα","","0.074","0.0455","","","0.0959","0.1068","","","","","","1.023","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028928","7.9423","0.0019","7.9423","0.0019","16.974","0.009","90","","90","","90","","1070.7","0.7","100","2","100","2","","","","","","","","4","P 43","P 4cw","78","","","","- C10 H12 N2 O3 -","- C10 H12 N2 O3 -","- C40 H48 N8 O12 -","4","1","","Fowler, Sarah A.; Luechapanichkul, Rinrada; Blackwell, Helen E.","Synthesis and Characterization of Nitroaromatic Peptoids: Fine Tuning Peptoid Secondary Structure through Monomer Position and Functionality","The Journal of Organic Chemistry","2009","74","4","1440","1449","10.1021/jo8023363","","","0.71073","Mo-Kα","","0.0845","0.0388","","","0.0737","0.0892","","","","","","0.791","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4028929","9.3857","0.0002","18.8304","0.0004","23.3405","0.0006","90","","91.572","0.001","90","","4123.57","0.16","90","1","90","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H29 N O2 S -","- C23 H29 N O2 S -","- C184 H232 N8 O16 S8 -","8","2","","Kalbarczyk, Kyle P.; Diver, Steven T.","Enyne Metathesis/Brønsted Acid-Promoted Heterocyclization","The Journal of Organic Chemistry","2009","74","5","2193","2196","10.1021/jo802582k","","","0.71073","MoKα","","0.0384","0.0329","","","0.0834","0.0877","","","","","","1.015","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028930","7.335","0.003","12.541","0.005","14.091","0.005","91.456","0.006","90.034","0.006","103.156","0.006","1261.8","0.8","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H30 F N3 O2 -","- C30 H30 F N3 O2 -","- C60 H60 F2 N6 O4 -","2","1","","Sañudo, María; García-Valverde, María; Marcaccini, Stefano; Delgado, Jacinto J.; Rojo, Josefa; Torroba, Tomás","Synthesis of Benzodiazepine β-Turn Mimetics by an Ugi 4CC/Staudinger/Aza-Wittig Sequence. Solving the Conformational Behavior of the Ugi 4CC Adducts","The Journal of Organic Chemistry","2009","74","5","2189","2192","10.1021/jo8025862","","","0.71073","MoKα","","0.2142","0.1964","","","0.4563","0.469","","","","","","1.219","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028931","30.524","0.008","18.141","0.005","9.129","0.002","90","","97.13","0.005","90","","5016","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H30 N2 O3 -","- C29 H30 N2 O3 -","- C232 H240 N16 O24 -","8","1","","Sañudo, María; García-Valverde, María; Marcaccini, Stefano; Delgado, Jacinto J.; Rojo, Josefa; Torroba, Tomás","Synthesis of Benzodiazepine β-Turn Mimetics by an Ugi 4CC/Staudinger/Aza-Wittig Sequence. Solving the Conformational Behavior of the Ugi 4CC Adducts","The Journal of Organic Chemistry","2009","74","5","2189","2192","10.1021/jo8025862","","","0.71073","MoKα","","0.0819","0.0508","","","0.1301","0.1559","","","","","","1.087","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028932","7.713","0.003","23.147","0.007","16.773","0.005","90","","93.335","0.007","90","","2989.5","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H38 N2 O5 -","- C32 H38 N2 O5 -","- C128 H152 N8 O20 -","4","1","","Sañudo, María; García-Valverde, María; Marcaccini, Stefano; Delgado, Jacinto J.; Rojo, Josefa; Torroba, Tomás","Synthesis of Benzodiazepine β-Turn Mimetics by an Ugi 4CC/Staudinger/Aza-Wittig Sequence. Solving the Conformational Behavior of the Ugi 4CC Adducts","The Journal of Organic Chemistry","2009","74","5","2189","2192","10.1021/jo8025862","","","0.71073","MoKα","","0.2116","0.2036","","","0.3923","0.3971","","","","","","1.377","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028933","8.0353","0.0013","34.944","0.006","20.106","0.003","90","","95.283","0.003","90","","5621.5","1.6","173","2","173","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C30 H30 F2 I N2 O3.5 -","- C30 H30 F2 I N2 O3.5 -","- C240 H240 F16 I8 N16 O28 -","8","2","","Sañudo, María; García-Valverde, María; Marcaccini, Stefano; Delgado, Jacinto J.; Rojo, Josefa; Torroba, Tomás","Synthesis of Benzodiazepine β-Turn Mimetics by an Ugi 4CC/Staudinger/Aza-Wittig Sequence. Solving the Conformational Behavior of the Ugi 4CC Adducts","The Journal of Organic Chemistry","2009","74","5","2189","2192","10.1021/jo8025862","","","0.71073","MoKα","","0.0656","0.0617","","","0.1395","0.1516","","","","","","1.16","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028934","7.8658","0.0007","8.6374","0.0008","15.3824","0.0016","90","","99.533","0.005","90","","1030.65","0.17","100","2","100","2","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H20 N2 O6 -","- C21 H20 N2 O6 -","- C42 H40 N4 O12 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0387","0.0359","","","0.0812","0.0826","","","","","","1.06","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028935","8.2939","0.0005","12.875","0.0006","27.3006","0.0014","90","","90","","90","","2915.3","0.3","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C144 H96 N16 O32 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0508","0.0471","","","0.1126","0.1149","","","","","","1.122","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028936","13.4303","0.0007","7.8903","0.0004","13.9246","0.0006","90","","91.425","0.003","90","","1475.12","0.12","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C18 H12 N2 O4 -","- C18 H12 N2 O4 -","- C72 H48 N8 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0505","0.0391","","","0.0885","0.0941","","","","","","1.04","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028937","13.7192","0.0007","7.4109","0.0004","15.3928","0.0007","90","","93.948","0.002","90","","1561.3","0.14","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H11 Cl N2 O4 -","- C18 H11 Cl N2 O4 -","- C72 H44 Cl4 N8 O16 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0431","0.0353","","","0.0894","0.0944","","","","","","1.043","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028938","13.965","0.0006","7.3292","0.0003","15.6911","0.0006","90","","95.712","0.002","90","","1598.05","0.11","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C19 H14 N2 O5 -","- C19 H14 N2 O5 -","- C76 H56 N8 O20 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0433","0.0358","","","0.0912","0.0961","","","","","","1.059","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028939","8.7943","0.0018","18.422","0.004","19.814","0.004","90","","92.353","0.009","90","","3207.3","1.2","100","2","100","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H12 Cl N3 O2 -","- C19 H12 Cl N3 O2 -","- C152 H96 Cl8 N24 O16 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0605","0.0525","","","0.1389","0.1452","","","","","","1.043","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028940","5.8491","0.0003","27.7737","0.0012","8.361","0.0004","90","","95.084","0.002","90","","1352.91","0.11","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C15 H9 Cl N2 O3 -","- C15 H9 Cl N2 O3 -","- C60 H36 Cl4 N8 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0423","0.0375","","","0.0955","0.0985","","","","","","1.06","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028941","8.7692","0.0005","10.0582","0.0006","10.4679","0.0006","115.933","0.002","92.721","0.003","112.118","0.002","743.87","0.08","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H12 N2 O3 S -","- C16 H12 N2 O3 S -","- C32 H24 N4 O6 S2 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0343","0.0315","","","0.081","0.0828","","","","","","1.047","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028942","7.2945","0.0006","12.4389","0.0012","18.2616","0.0018","90","","96.102","0.005","90","","1647.6","0.3","100","2","100","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H14 N4 O3 -","- C18 H14 N4 O3 -","- C72 H56 N16 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0531","0.0431","","","0.1076","0.1139","","","","","","1.059","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028943","7.1324","0.0009","7.417","0.0009","18.265","0.002","90","","101.203","0.006","90","","947.8","0.2","100","2","100","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C21 H18 Cl N3 O3 -","- C21 H18 Cl N3 O3 -","- C42 H36 Cl2 N6 O6 -","2","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0614","0.049","","","0.1125","0.1187","","","","","","1.077","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028944","11.4248","0.0008","15.8816","0.0011","21.3075","0.0016","90","","90","","90","","3866.1","0.5","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C22 H21 N3 O4 -","- C22 H21 N3 O4 -","- C176 H168 N24 O32 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0982","0.0649","","","0.1319","0.1445","","","","","","1.104","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028945","7.0163","0.001","13.875","0.002","39.05","0.005","90","","90","","90","","3801.6","0.9","100","2","100","2","","","","","","","synthesis as described","4","P b c a","-P 2ac 2ab","61","","","","- C21 H18 N4 O5 -","- C21 H18 N4 O5 -","- C168 H144 N32 O40 -","8","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0558","0.0455","","","0.1123","0.119","","","","","","1.035","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028946","13.6352","0.0016","7.6099","0.0008","21.144","0.002","90","","105.61","0.006","90","","2113","0.4","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/a 1","-P 2yab","14","","","","- C25 H18 Cl N3 O3 -","- C25 H18 Cl N3 O3 -","- C100 H72 Cl4 N12 O12 -","4","1","","Bentabed-Ababsa, Ghenia; Derdour, Aicha; Roisnel, Thierry; Sáez, Jose A.; Pérez, Patricia; Chamorro, Eduardo; Domingo, Luis R.; Mongin, Florence","A Combined Experimental and Theoretical Study of the Polar [3 + 2] Cycloaddition of Electrophilically Activated Carbonyl Ylides with Aldehydes and Imines","The Journal of Organic Chemistry","2009","74","5","2120","2133","10.1021/jo8027104","","x-ray","0.71073","MoKα","","0.0956","0.0777","","","0.1578","0.1652","","","","","","1.193","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028947","8.0233","0.0001","13.3098","0.0002","13.8934","0.0002","90.0471","0.0009","98.014","0.001","92.658","0.001","1467.55","0.04","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C15 H15 Br O2 S -","- C15 H15 Br O2 S -","- C60 H60 Br4 O8 S4 -","4","4","","García Ruano, José L.; Alemán, José; Parra, Alejandro; Alcudia, Ana; Maya, Celia","Synthesis and Stereoselective Halogenolysis of Optically Pure Benzylstannanes","The Journal of Organic Chemistry","2009","74","5","2145","2152","10.1021/jo802725r","","","0.71073","MoKα","","0.0447","0.0411","","","0.1078","0.1101","","","","","","1.035","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028948","9.7176","0.0007","11.7376","0.0009","12.5854","0.0009","90","","103.468","0.003","90","","1396.03","0.18","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C33 H30 O2 S Sn -","- C33 H30 O2 S Sn -","- C66 H60 O4 S2 Sn2 -","2","1","","García Ruano, José L.; Alemán, José; Parra, Alejandro; Alcudia, Ana; Maya, Celia","Synthesis and Stereoselective Halogenolysis of Optically Pure Benzylstannanes","The Journal of Organic Chemistry","2009","74","5","2145","2152","10.1021/jo802725r","","","0.71073","MoKα","","0.0237","0.0206","","","0.046","0.0469","","","","","","1.048","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028950","12.2561","0.0006","9.8431","0.0005","14.5414","0.0007","90","","99.445","0.001","90","","1730.46","0.15","103","1","103","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H22 N2 O3 -","- C21 H22 N2 O3 -","- C84 H88 N8 O12 -","4","1","","Kumpaty, Hephzibah J.; Van Linn, Michael L.; Kabir, M. Shahjahan; Försterling, F. Holger; Deschamps, Jeffrey R.; Cook, James M.","Study of the Cis to Trans Isomerization of 1-Phenyl-2,3-disubstituted Tetrahydro-β-carbolines at C(1). Evidence for the Carbocation-Mediated Mechanism","The Journal of Organic Chemistry","2009","74","7","2771","2779","10.1021/jo8028168","","","0.71073","MoKα","","0.0729","0.0456","","","0.1034","0.1151","","","","","","1.017","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028951","7.7011","0.0005","7.6079","0.0005","38.271","0.003","90","","93.031","0.001","90","","2239.1","0.3","103","1","103","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C27 H25 N3 O4 -","- C27 H25 N3 O4 -","- C108 H100 N12 O16 -","4","2","","Kumpaty, Hephzibah J.; Van Linn, Michael L.; Kabir, M. Shahjahan; Försterling, F. Holger; Deschamps, Jeffrey R.; Cook, James M.","Study of the Cis to Trans Isomerization of 1-Phenyl-2,3-disubstituted Tetrahydro-β-carbolines at C(1). Evidence for the Carbocation-Mediated Mechanism","The Journal of Organic Chemistry","2009","74","7","2771","2779","10.1021/jo8028168","","","0.71073","MoKα","","0.0386","0.0342","","","0.0802","0.0826","","","","","","1.014","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028952","5.9404","0.0004","12.3076","0.0008","21.338","0.003","90","","90","","90","","1560.1","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H25 N O6 -","- C14 H25 N O6 -","- C56 H100 N4 O24 -","4","1","","Aravind, Appu; Sankar, Muthukumar Gomathi; Varghese, Babu; Baskaran, Sundarababu","Regioselective Reductive Cleavage of Bis-benzylidene Acetal: Stereoselective Synthesis of Anticancer Agent OGT2378 and Glycosidase Inhibitor 1,4-Dideoxy-1,4-imino-l-xylitol","The Journal of Organic Chemistry","2009","74","7","2858","2861","10.1021/jo900030p","","","1.5418","CuKα","","0.0278","0.027","","","0.0724","0.0732","","","","","","1.119","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028953","6.109","0.0002","9.86","0.0004","15.031","0.0006","75.552","0.002","81.201","0.002","76.698","0.002","848.83","0.06","100","2","100","2","","","","","","","synthesis as described","4","P 1","P 1","1","","","","- C19 H22 N2 O2 -","- C19 H22 N2 O2 -","- C38 H44 N4 O4 -","2","2","","Malkov, Andrei V.; Vranková, Kvetoslava; Stončius, Sigitas; Kočovský, Pavel","Asymmetric Reduction of Imines with Trichlorosilane, Catalyzed by Sigamide, an Amino Acid-Derived Formamide: Scope and Limitations†","The Journal of Organic Chemistry","2009","74","16","5839","5849","10.1021/jo900561h","","x-ray","0.71073","MoKα","","0.0593","0.0463","","","0.1088","0.1152","","","","","","1.037","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028955","11.5444","0.0002","9.1904","0.0002","25.0286","0.0005","90","","95.469","0.001","90","","2643.39","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","N-[rel-(3aR,11bS,12S,16R)-2,14-Diethyl-2,3,3a,6,7,8,9,10,11,11b,13,14,15,16-tetradecahydro-1,3,13,15-tetraoxo-12H-4,11a[3',4']-endo-pyrrolocyclooct[e]isoindol-4(1H)-yl]benzamide","","- C29 H33 N3 O5 -","- C29 H33 N3 O5 -","- C116 H132 N12 O20 -","4","1","","Kranjc, Kris̆tof; Perdih, Franc; Koc̆evar, Marijan","Effect of Ring Size on theExo/EndoSelectivity of a Thermal Double Cycloaddition of Fused Pyran-2-ones","The Journal of Organic Chemistry","2009","74","16","6303","6306","10.1021/jo9011199","","","0.71073","MoKα","","0.0843","0.0492","","","0.1139","0.1324","","","","","","1.034","","","","has coordinates,has disorder","178468","2020-10-21","18:00:00",""
"4028956","20.485","0.003","9.563","0.001","7.049","0.001","78.92","0.01","81.79","0.01","76.67","0.02","1311.6","0.3","293","2","","","","","","","","","","4","P -1","-P 1","2","","","","- C29 H29 N3 O -","- C29 H29 N3 O -","- C58 H58 N6 O2 -","2","1","","Andreu, Raquel; Carrasquer, Laura; Franco, Santiago; Garín, Javier; Orduna, Jesús; Martínez de Baroja, Natalia; Alicante, Raquel; Villacampa, Belén; Allain, Magali","4H-Pyran-4-ylidenes: Strong Proaromatic Donors for Organic Nonlinear Optical Chromophores","The Journal of Organic Chemistry","2009","74","17","6647","6657","10.1021/jo901142f","","x-ray","0.71073","MoKα","","","0.0542","","","","0.1521","","","","","","0.854","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028957","10.34","0.001","12.56","0.001","16.843","0.002","90","","91.12","0.01","90","","2187","0.4","293","2","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N O3 -","- C24 H27 N O3 -","- C96 H108 N4 O12 -","4","1","","Andreu, Raquel; Carrasquer, Laura; Franco, Santiago; Garín, Javier; Orduna, Jesús; Martínez de Baroja, Natalia; Alicante, Raquel; Villacampa, Belén; Allain, Magali","4H-Pyran-4-ylidenes: Strong Proaromatic Donors for Organic Nonlinear Optical Chromophores","The Journal of Organic Chemistry","2009","74","17","6647","6657","10.1021/jo901142f","","x-ray","0.71073","MoKα","","","0.044","","","","0.1139","","","","","","0.881","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028959","13.1766","0.0008","13.2035","0.0008","17.3898","0.0009","86.611","0.005","88.651","0.005","75.546","0.006","2924.4","0.3","90","2","90","2","","","","","","","","5","P -1","-P 1","2","","","","- C32 H39 N O4 Si -","- C32 H39 N O4 Si -","- C128 H156 N4 O16 Si4 -","4","2","","Desrat, Sandy; van de Weghe, Pierre","Intramolecular Imino Diels−Alder Reaction: Progress toward the Synthesis of Uncialamycin","The Journal of Organic Chemistry","2009","74","17","6728","6734","10.1021/jo901291t","","","0.71069","MoKα","","0.1519","0.0555","","","0.1157","0.1249","","","","","","0.808","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028960","16.611","0.0004","11.5186","0.0003","9.8507","0.0002","90","","99.385","0.001","90","","1859.56","0.08","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","Paquette 1523","","","- C19 H22 N2 O7 -","- C19 H22 N2 O7 -","- C76 H88 N8 O28 -","4","1","","Wang, Xiaozhao; Butler, Sean C.; Gallucci, Judith C.; Paquette, Leo A.","Enolization Regioselectivity Involving Stereoisomeric 4a-Methyl-5-methoxyperhydrobenzo[7]annulen-2-ones","The Journal of Organic Chemistry","2009","74","17","6825","6830","10.1021/jo901391d","","x-ray","0.71073","MoKα","","0.0651","0.047","","","0.1234","0.1349","","","","","","1.028","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028961","11.6926","0.0004","17.3098","0.0006","11.6041","0.0004","90","","99.333","0.002","90","","2317.54","0.14","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H24 O3 -","- C31 H24 O3 -","- C124 H96 O12 -","4","1","","Sánchez-Larios, Eduardo; Gravel, Michel","Diastereoselective Synthesis of Indanes via a Domino Stetter−Michael Reaction","The Journal of Organic Chemistry","2009","74","19","7536","7539","10.1021/jo901468h","","","1.54184","CuKα","","0.0685","0.0545","","","0.1469","0.1627","","","","","","1.022","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028963","8.7338","0.001","13.3618","0.0017","14.4726","0.0019","111.142","0.015","93.977","0.015","92.936","0.015","1566.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C35 H38.5 N O2 P -","- C35 H38 N O2 P -","- C70 H76 N2 O4 P2 -","2","1","","Öberg, Elisabet; Schäfer, Bernhard; Geng, Xue-Li; Pettersson, Jenny; Hu, Qi; Kritikos, Mikael; Rasmussen, Torben; Ott, Sascha","C,C-Diacetylenic Phosphaalkenes as Heavy Diethynylethene Analogues","The Journal of Organic Chemistry","2009","74","24","9265","9273","10.1021/jo901942u","","","0.71073","MoKα","","0.1279","0.0523","","","0.1156","0.1445","","","","","","0.826","","","","has coordinates","219040","2020-10-21","18:00:00",""
"4028965","9.277","0.005","10.25","0.005","11.192","0.005","83.586","0.005","88.685","0.005","76.696","0.005","1029.2","0.9","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H22 N4 O5 -","- C22 H22 N4 O5 -","- C44 H44 N8 O10 -","2","1","","Cakici, Murat; Karabuga, Semistan; Kilic, Hamdullah; Ulukanli, Sabri; Şahin, Ertan; Sevin, Fatma","Diastereoselective Control Through Hydrogen Bonding in the Aziridination of the Chiral Allylic Alcohols by Acetoxyaminoquinazolinone","The Journal of Organic Chemistry","2009","74","24","9452","9459","10.1021/jo902092s","","","0.71073","MoKα","","0.1202","0.0801","","","0.1834","0.2036","","","","","","1.144","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4028966","8.2049","0.0002","8.9126","0.0001","11.0202","0.0001","72.415","0.004","87.435","0.004","85.548","0.005","765.71","0.03","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C16 H21 N3 O2 -","- C16 H21 N3 O2 -","- C32 H42 N6 O4 -","2","1","","Cakici, Murat; Karabuga, Semistan; Kilic, Hamdullah; Ulukanli, Sabri; Şahin, Ertan; Sevin, Fatma","Diastereoselective Control Through Hydrogen Bonding in the Aziridination of the Chiral Allylic Alcohols by Acetoxyaminoquinazolinone","The Journal of Organic Chemistry","2009","74","24","9452","9459","10.1021/jo902092s","","","0.71073","MoKα","","0.093","0.0603","","","0.1645","0.1907","","","","","","1.089","","","","has coordinates","178468","2020-10-21","18:00:00",""
"4029484","10.839","0.002","15.667","0.003","21.444","0.004","90","","90","","90","","3641.5","1.2","293","2","293","2","","","","","","","","5","C m c e","-C 2ac 2","64","","","","- C16 H24 Ag F6 P -","- C16 H24 Ag F6 P -","- C128 H192 Ag8 F48 P8 -","8","0.5","","Bera, Milan; Roy, Sujit","Silver(I)-catalyzed dual activation of propargylic alcohol and aziridine/azetidine: triggering ring-opening and endo-selective ring-closing in a cascade.","The Journal of organic chemistry","2009","74","22","8814","8817","10.1021/jo901877f","","","0.71073","MoKα","","0.0807","0.0506","","","0.1318","0.1531","","","","","","1.029","","","","has coordinates","264242","2021-04-16","08:49:18",""
"4029485","14.2312","0.0005","18.3897","0.0006","18.4657","0.0006","90","","128.202","0.002","90","","3797.6","0.2","298","2","298","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","rsgen45","3,6-Bis(3,3,3-triphenylpropynyl)pyridazine N-oxide","","- C47 H33 Cl3 N2 O -","- C47 H33 Cl3 N2 O -","- C188 H132 Cl12 N8 O4 -","4","1","","Rodriguez-Molina, Braulio; Ochoa, Ma Eugenia; Farfán, Norberto; Santillan, Rosa; García-Garibay, Miguel A","Synthesis, characterization, and rotational dynamics of crystalline molecular compasses with N-heterocyclic rotators.","The Journal of organic chemistry","2009","74","22","8554","8565","10.1021/jo901261j","","x-ray","0.7107","MoKα","","0.1999","0.0961","","","0.1945","0.2454","","","","","","1.089","","","","has coordinates,has disorder","178473","2020-10-21","18:00:00",""
"4029486","9.5072","0.0015","10.528","0.0017","19.011","0.003","79.888","0.002","82.942","0.002","88.888","0.002","1859.1","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H15 N3 O2 -","- C22 H15 N3 O2 -","- C88 H60 N12 O8 -","4","2","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0814","0.0703","","","0.1716","0.1835","","","","","","0.995","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029487","12.0489","0.0016","13.7719","0.0018","15.829","0.002","111.578","0.002","92.637","0.002","96.848","0.002","2413.6","0.5","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C24.5 H20.5 N4 O0.75 -","- C24.5 H20.5 N4 O0.75 -","- C98 H82 N16 O3 -","4","2","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.1818","0.1008","","","0.3045","0.3404","","","","","","1.074","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4029488","11.3527","0.0011","13.0321","0.0013","17.9267","0.0018","90","","96.385","0.001","90","","2635.8","0.5","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C32 H23 N4 O0 -","- C31 H23 N4 -","- C124 H92 N16 -","4","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.072","0.0508","","","0.1543","0.1656","","","","","","1.026","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029489","10.454","0.002","10.645","0.002","10.66","0.002","83.442","0.002","64.256","0.002","85.419","0.002","1060.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C27 H18 N4 -","- C27 H18 N4 -","- C54 H36 N8 -","2","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0871","0.0451","","","0.0996","0.1231","","","","","","0.917","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029490","11.2812","0.001","43.28","0.004","12.7042","0.0012","90","","102.177","0.001","90","","6063.3","1","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H14 Cl3 N4 -","- C28 H15 Cl3 N4 -","- C224 H120 Cl24 N32 -","8","2","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.2919","0.2318","","","0.5674","0.604","","","","","","2.348","","","","has coordinates","178473","2020-10-21","18:00:00",""
"4029491","10.643","0.009","12.128","0.01","16.121","0.014","88.717","0.011","82.26","0.011","79.692","0.011","2029","3","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H12 Cl2 N4 -","- C25 H12 Cl2 N4 -","- C100 H48 Cl8 N16 -","4","2","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.2352","0.1438","","","0.3475","0.4022","","","","","","1.115","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029492","12.8905","0.0014","18.936","0.002","14.3773","0.0015","90","","91.727","0.002","90","","3507.8","0.6","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C39 H42 N4 O -","- C39 H42 N4 O -","- C156 H168 N16 O4 -","4","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.097","0.0684","","","0.2008","0.2305","","","","","","1.086","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"4029493","26.535","0.003","10.0033","0.0013","21.122","0.003","90","","107.909","0.002","90","","5334.9","1.2","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C29 H23 Cl2 N5 -","- C29 H23 Cl2 N5 -","- C232 H184 Cl16 N40 -","8","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0765","0.0601","","","0.1698","0.189","","","","","","1.021","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029494","30.75","0.03","10.011","0.012","21.55","0.02","90","","114.819","0.013","90","","6021","11","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C32 H29 N5 -","- C32 H29 N5 -","- C256 H232 N40 -","8","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.2448","0.2321","","","0.6113","0.6212","","","","","","3.052","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029495","10.9503","0.0019","6.7085","0.0012","27.21","0.005","90","","95.326","0.002","90","","1990.2","0.6","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C26 H16 N4 -","- C26 H16 N4 -","- C104 H64 N16 -","4","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.1085","0.0487","","","0.1127","0.1384","","","","","","0.973","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029496","17.989","0.002","6.8454","0.0008","21.7964","0.0017","90","","123.917","0.006","90","","2227.4","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C28 H20 N4 -","- C28 H20 N4 -","- C112 H80 N16 -","4","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0703","0.0445","","","0.1216","0.1406","","","","","","1.016","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029497","16.979","0.002","7.1536","0.0009","18.099","0.002","90","","103.972","0.002","90","","2133.3","0.4","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H14 Cl2 N4 -","- C26 H14 Cl2 N4 -","- C104 H56 Cl8 N16 -","4","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0827","0.0573","","","0.1429","0.1683","","","","","","1.062","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029498","10.1633","0.0017","10.883","0.0017","12.1","0.002","78.048","0.002","67.239","0.002","79.691","0.002","1200.1","0.3","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H24 N4 -","- C30 H24 N4 -","- C60 H48 N8 -","2","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.0823","0.0513","","","0.1394","0.159","","","","","","1.065","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029499","10.0403","0.0018","10.9408","0.0019","12.564","0.002","90.04","0.003","104.859","0.003","99.734","0.003","1313.4","0.4","296","2","296","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H28 N4 -","- C32 H28 N4 -","- C64 H56 N8 -","2","1","","Yan, Chao Guo; Wang, Qi Fang; Song, Xiao Kai; Sun, Jing","One-step synthesis of pyrido[1,2-a]benzimidazole derivatives by a novel multicomponent reaction of chloroacetonitrile, malononitrile, aromatic aldehyde, and pyridine.","The Journal of organic chemistry","2009","74","2","710","718","10.1021/jo802166t","","","0.71073","MoKα","","0.135","0.0679","","","0.1846","0.229","","","","","","1.039","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4029500","16.681","0.0016","21.154","0.003","19.294","0.002","90","","96.439","0.012","90","","6765.3","1.4","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C37 H44 N P -","- C37 H44 N P -","- C296 H352 N8 P8 -","8","2","","Öberg, Elisabet; Schäfer, Bernhard; Geng, Xue-Li; Pettersson, Jenny; Hu, Qi; Kritikos, Mikael; Rasmussen, Torben; Ott, Sascha","C,C-Diacetylenic Phosphaalkenes as Heavy Diethynylethene Analogues","The Journal of Organic Chemistry","2009","74","24","9265","9273","10.1021/jo901942u","","","0.71073","MoKα","","0.2569","0.0688","","","0.1628","0.2426","","","","","","0.712","","","","has coordinates","219040","2020-10-21","18:00:00",""
"4029503","11.5472","0.0014","11.8178","0.0015","23.6812","0.003","90","","90","","90","","3231.6","0.7","110","2","110","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C39 H39 N3 O5 -","- C39 H39 N3 O5 -","- C156 H156 N12 O20 -","4","1","","Marcaccini, Stefano; Neo, Ana G.; Marcos, Carlos F.","Sequential five-component synthesis of spiropyrrolidinochromanones.","The Journal of organic chemistry","2009","74","17","6888","6890","10.1021/jo900992w","","x-ray","0.71073","MoKα","","0.0869","0.0436","","","0.0853","0.1079","","","","","","1.14","","","","has coordinates","178474","2020-10-21","18:00:00",""