# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T18:31:19+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Organic Chemistry') AND volume = 67 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
"4022199","19.2601","0.001","9.9781","0.0005","19.7255","0.001","90","","114.067","0.001","90","","3461.3","0.3","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C32 H44 N3 O6 P S -","- C32 H44 N3 O6 P S -","- C128 H176 N12 O24 P4 S4 -","4","1","","N. Satish Kumar; Praveen Kommana; J. J. Vittal; K. C. Kumara Swamy","Pentacoordinate Phosphoranes with Reversed Apicophilicity as Stable Intermediates in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2002","67","","6653","6658","10.1021/jo011150a","","","0.71073","MoKα","","0.1003","0.0579","","","0.102","0.1112","","","","","","1.021","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022200","18.0374","0.001","9.7348","0.0005","19.0824","0.0011","90","","94.674","0.001","90","","3339.5","0.3","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C31 H44 N5 O6 P -","- C31 H44 N5 O6 P -","- C124 H176 N20 O24 P4 -","4","1","","N. Satish Kumar; Praveen Kommana; J. J. Vittal; K. C. Kumara Swamy","Pentacoordinate Phosphoranes with Reversed Apicophilicity as Stable Intermediates in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2002","67","","6653","6658","10.1021/jo011150a","","","0.71073","MoKα","","0.1077","0.0797","","","0.1745","0.1905","","","","","","1.084","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022201","16.2599","0.0008","18.4942","0.0009","11.2391","0.0005","90","","101.538","0.001","90","","3311.5","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C32 H48 N3 O6 P -","- C32 H48 N3 O6 P -","- C128 H192 N12 O24 P4 -","4","1","","N. Satish Kumar; Praveen Kommana; J. J. Vittal; K. C. Kumara Swamy","Pentacoordinate Phosphoranes with Reversed Apicophilicity as Stable Intermediates in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2002","67","","6653","6658","10.1021/jo011150a","","","0.71073","MoKα","","0.0732","0.0472","","","0.1012","0.1073","","","","","","1.012","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022202","12.0296","0.0006","16.3575","0.0008","19.1558","0.001","90","","106.572","0.001","90","","3612.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C37 H49 N2 O6 P -","- C37 H49 N2 O6 P -","- C148 H196 N8 O24 P4 -","4","1","","N. Satish Kumar; Praveen Kommana; J. J. Vittal; K. C. Kumara Swamy","Pentacoordinate Phosphoranes with Reversed Apicophilicity as Stable Intermediates in a Mitsunobu-Type Reaction","Journal of Organic Chemistry","2002","67","","6653","6658","10.1021/jo011150a","","","0.71073","MoKα","","0.0562","0.0438","","","0.1269","0.1326","","","","","","1.063","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022203","27.852","0.002","9.5057","0.0004","23.098","0.002","90","0.01","126.802","0.002","90","0.01","4896.6","0.6","298","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C25 H33 N3 O4 -","- C25 H33 N3 O4 -","- C200 H264 N24 O32 -","8","1","","Vito Capriati; Saverio Florio; Renzo Luisi; Maria Teresa Rocchetti","Metalation of 2-Chloromethyl-2-oxazolines: Synthesis of 1,2,3-Tris(oxazolinyl)cyclopropanes and Derivatives","Journal of Organic Chemistry","2002","67","","759","763","10.1021/jo015962i","","","0.71073","MoKα","","0.126","0.072","","0.059","0.057","0.057","","","1.848","1.761","1.761","1.761","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022204","10.5209","0.0005","8.4274","0.0004","22.1592","0.0011","90","","92.433","0.001","90","","1962.95","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H26 N2 O Si -","- C19 H26 N2 O Si -","- C76 H104 N8 O4 Si4 -","4","1","","Marco Bandini; Pier Giorgio Cozzi; Massimo Giacomini; Paolo Melchiorre; Simona Selva; Achille Umani-Ronchi","Sequential One-Pot InBr~3~-Catalyzed 1,4- then 1,2-Nucleophilic Addition to Enones","Journal of Organic Chemistry","2002","67","","3700","3704","10.1021/jo0163243","","","0.71073","MoKα","","0.1151","0.05","","","0.1148","0.1452","","","","","","1.004","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022205","18.219","0.003","20.086","0.004","10.365","0.002","90","","90","","90","","3792","1","20","","20","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","?","- C152 H152 F24 Fe4 N4 O4 Pd4 S4 Sb4 -","- C152 H152 F24 Fe4 N4 O4 Pd4 S4 Sb4 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.036","","","0.039","","","","","1.23","1.23","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022206","11.341","0.003","15.198","0.002","14.531","0.004","90","","99.82","0.02","90","","2467","1","20","","20","","","","","","","","","9","P 1 21 1","P 2yb","4","","","","?","- C104 H100 F22 Fe2 N2 O6 Pd2 S2 Sb2 -","- C104 H100 F22 Fe2 N2 O6 Pd2 S2 Sb2 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.049","","","0.053","","","","","1.63","1.63","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022207","14.431","0.004","22.102","0.003","12.957","0.005","90","","90","","90","","4132","1","20","","20","","","","","","","","","9","P 21 21 21","P 2ac 2ab","19","","","","?","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","- C176 H172 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.043","","","0.045","","","","","1.16","1.16","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022208","14.561","0.007","25.551","0.004","10.929","0.005","90","","90","","90","","4066","2","20","","20","","","","","","","","","10","P 21 21 21","P 2ac 2ab","19","","","","?","- C164 H148 Cl8 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","- C164 H148 Cl8 F24 Fe4 N4 O4 P4 Pd4 Sb4 -","","","","Shu-Li You; Xue-Long Hou; Li-Xin Dai; Yi-Hua Yu; Wei Xia","Role of Planar Chirality of S,N- and P,N-Ferrocene Ligands in Palladium-Catalyzed Allylic Substitutions","Journal of Organic Chemistry","2002","67","","4684","4695","10.1021/jo016330z","","","0.7107","MoKalpha","","","0.049","","","0.05","","","","","1.32","1.32","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022209","5.754","0.004","9.575","0.004","15.766","0.017","75.7","0.06","88.81","0.07","74.05","0.05","808.2","1.1","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H17 Br O4 P -","- C16 H16 Br O4 P -","- C32 H32 Br2 O8 P2 -","2","1","","David Crich; Fernando Sartillo-Piscil; Leticia Quintero-Cortes; Donald J. Wink","Radical Contraction of 1,3,2-Dioxaphosphepanes to 1,3,2-Dioxaphosphorinanes: A Kinetic and ^17^O NMR Spectroscopic Study","Journal of Organic Chemistry","2002","67","","3360","3364","10.1021/jo016388d","","","0.71073","MoKα","","0.1617","0.075","","","0.1701","0.1991","","","","","","0.989","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022210","6.135","0.006","10.0595","0.0008","24.328","0.005","90","","92.74","0.03","90","","1499.7","1.6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H17 O4 P -","- C16 H17 O4 P -","- C64 H68 O16 P4 -","4","1","","David Crich; Fernando Sartillo-Piscil; Leticia Quintero-Cortes; Donald J. Wink","Radical Contraction of 1,3,2-Dioxaphosphepanes to 1,3,2-Dioxaphosphorinanes: A Kinetic and ^17^O NMR Spectroscopic Study","Journal of Organic Chemistry","2002","67","","3360","3364","10.1021/jo016388d","","","0.71073","MoKα","","0.0535","0.0377","","","0.1042","0.131","","","","","","0.465","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022211","6.2571","0.0003","12.9524","0.0011","16.9737","0.0014","90","","90","","90","","1375.62","0.18","293","2","293","2","","","","","","","Hitchcock Laboratory","4","P 21 21 21","P 2ac 2ab","19","","(5S,6R)-4,5-dimethyl-6-phenyl-3-propionyl-2H-1,3,4-oxadiazin-2-one","","- C14 H18 N2 O3 -","- C14 H18 N2 O3 -","- C56 H72 N8 O12 -","4","1","","David M. Casper; Jennifer R. Blackburn; Christopher D. Maroules; Tana Brady; Joel M. Esken; Gregory M. Ferrence; Jean M. Standard; Shawn R. Hitchcock","Conformational Studies of N~3~-Substituted [1,3,4]-Oxadiazinan-2-ones","Journal of Organic Chemistry","2002","67","","8871","8876","10.1021/jo020322g","","x-ray","0.71073","MoKα","","0.0393","0.0318","","","0.0841","0.0883","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022212","7.346","0.001","6.938","0.001","13.727","0.001","90","","96.62","0.01","90","","694.95","0.15","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-bromo-5-pyridine boronoc acid","","- C5 H5 B Br N O2 -","- C5 H5 B Br N O2 -","- C20 H20 B4 Br4 N4 O8 -","4","1","","Paul R. Parry; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Brian Tarbit","Functionalized Pyridylboronic Acids and Their Suzuki Cross-Coupling Reactions To Yield Novel Heteroarylpyridines","Journal of Organic Chemistry","2002","67","","7541","7543","10.1021/jo020388b","","","0.71073","MoKα","","0.0235","0.0189","","","0.0491","0.0502","","","","","","1.034","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022213","7.535","0.002","6.941","0.001","13.877","0.003","90","","96.81","0.04","90","","720.7","0.3","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-bromo-5-pyridine boronoc acid","","- C5 H5 B Br N O2 -","- C5 H5 B Br N O2 -","- C20 H20 B4 Br4 N4 O8 -","4","1","","Paul R. Parry; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Brian Tarbit","Functionalized Pyridylboronic Acids and Their Suzuki Cross-Coupling Reactions To Yield Novel Heteroarylpyridines","Journal of Organic Chemistry","2002","67","","7541","7543","10.1021/jo020388b","","","0.71073","MoKα","","0.0659","0.0359","","","0.0745","0.0824","","","","","","1.01","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022214","8.906","0.001","7.277","0.001","10.389","0.001","90","","96.55","0.01","90","","668.91","0.14","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-chloro-5-pyridine boronic acid","","- C5 H5 B Cl N O2 -","- C5 H5 B Cl N O2 -","- C20 H20 B4 Cl4 N4 O8 -","4","1","","Paul R. Parry; Changsheng Wang; Andrei S. Batsanov; Martin R. Bryce; Brian Tarbit","Functionalized Pyridylboronic Acids and Their Suzuki Cross-Coupling Reactions To Yield Novel Heteroarylpyridines","Journal of Organic Chemistry","2002","67","","7541","7543","10.1021/jo020388b","","","0.71073","MoKα","","0.0341","0.0294","","","0.0814","0.0843","","","","","","1.037","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022215","21.67","0.002","21.67","0.002","23.534","0.002","90","","90","","120","","9570.3","1.5","100","2","293","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C60 H120 Cl20 N26 Na7 O72 -","- C60 H120 Cl20 N26 Na7 O72 -","- C180 H360 Cl60 N78 Na21 O216 -","3","0.166667","","Carla Bazzicalupi; Andrea Bencini; Emanuela Berni; Antonio Bianchi; Samuele Ciattini; Claudia Giorgi; Sauro Maoggi; Piero Paoletti; Barbara Valtancoli","Synthesis of New Tren-Based Tris-Macrocycles. Anion Cluster Assembling Inside the Cavity Generated by a Bowl-Shaped Receptor","Journal of Organic Chemistry","2002","67","","9107","9110","10.1021/jo020474b","","","1.54178","CuKα","","0.0938","0.0834","","","0.2233","0.2342","","","","","","0.972","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022216","13.2095","0.0005","23.9347","0.0005","25.5398","0.001","90","","90","","90","","8074.8","0.5","183","2","183","2","","","","","","","","7","P b c a","-P 2ac 2ab","61","","","","- C34 H26 B Cl8 Cu F4 N4 -","- C34 H26 B Cl8 Cu F4 N4 -","- C272 H208 B8 Cl64 Cu8 F32 N32 -","8","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.102","0.0895","","","0.264","0.2723","","","","","","2.131","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022217","9.0255","0.0009","14.6531","0.0015","15.6437","0.0016","99.7","0.002","96.215","0.002","101.893","0.002","1973.5","0.3","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C39 H42 B Cl2 Cu F4 N4 -","- C39 H42 B Cl2 Cu F4 N4 -","- C78 H84 B2 Cl4 Cu2 F8 N8 -","2","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.2221","0.0915","","","0.1388","0.1785","","","","","","0.983","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022218","11.4466","0.0006","18.114","0.0009","19.5085","0.0006","69.387","0.001","78.246","0.001","82.443","0.001","3698.7","0.3","180","2","180","2","","","","","","","","8","P -1","-P 1","2","","","","- C75 H82 Cl2 Cu2 F6 N4 O6 S2 -","- C75 H82 Cl2 Cu2 F6 N4 O6 S2 -","- C150 H164 Cl4 Cu4 F12 N8 O12 S4 -","2","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.0686","0.0536","","","0.1247","0.1387","","","","","","1.07","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022219","13.309","0.003","16.309","0.003","16.933","0.004","67.822","0.001","68.792","0.001","77.318","0.001","3158.2","1.1","180","2","180","2","","","","","","","","7","P -1","-P 1","2","","","","- C74 H56 Cu2 F6 N4 O6 S2 -","- C74 H56 Cu2 F6 N4 O6 S2 -","- C148 H112 Cu4 F12 N8 O12 S4 -","2","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.1166","0.0647","","","0.1506","0.1852","","","","","","1.025","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022220","7.8074","0.0009","14.9746","0.0015","11.063","0.002","90","","103.89","0.001","90","","1255.5","0.3","200","2","200","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H20 Cl4 N2 -","- C28 H20 Cl4 N2 -","- C56 H40 Cl8 N4 -","2","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.0472","0.0445","","","0.1069","0.1101","","","","","","1.066","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022221","5.9093","0.0006","16.6299","0.0016","18.9066","0.0019","90","","90","","90","","1858","0.3","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C20 H23 N O4 S -","- C20 H23 N O4 S -","- C80 H92 N4 O16 S4 -","4","1","","Kevin M. Gillespie; Christopher J. Sanders; Paul O'Shaughnessy; Ian Westmoreland; Christopher P. Thickitt; Peter Scott","Enantioselective Aziridination Using Copper Complexes of Biaryl Schiff Bases","Journal of Organic Chemistry","2002","67","","3450","3458","10.1021/jo025515i","","","0.71073","MoKα","","0.0288","0.0265","","","0.0711","0.0717","","","","","","1.033","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022222","15.57","0.01","15.58","0.01","24.91","0.01","90","","91.65","0.02","90","","6045","7","298","","298","","","","","","","","","4","I 1 2/a 1","-I 2ya","15","","","","- C36 H25 F7 O2 -","- C36 H25 F7 O2 -","- C288 H200 F56 O16 -","8","1","","Anastasia Detsi; Maria Koufaki; Theodora Calogeropoulou","Synthesis of (Z)-4-Hydroxytamoxifen and (Z)-2-[4-[1-(p-Hydroxyphenyl)-2-phenyl]-1butenyl]phenoxyacetic Acid","Journal of Organic Chemistry","2002","67","","4608","4611","10.1021/jo0255328","","","0.71073","MoKα","","0.1009","0.0642","","0.2","0.1683","","","","1.064","1.16","1.16","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022223","8.9514","0.0015","11.434","0.002","11.871","0.003","118.688","0.015","97.82","0.018","91.649","0.017","1049.8","0.4","173","2","173","2","","","","","","","","5","P -1","-P 1","2","01125","","","- C20 H22 N2 O4 S3 -","- C20 H22 N2 O4 S3 -","- C40 H44 N4 O8 S6 -","2","1","","Ted M. Pappenfus; Jonathan D. Raff; Eric J. Hukkanen; Jason R. Burney; Juan Casado; Steven M. Drew; Larry L. Miller; Kent R. Mann","Dinitro and Quinodimethane Derivatives of Terthiophene That Can Be Both Oxidized and Reduced. Crystal Structures, Spectra, and a Method for Analyzing Quinoid Contributions to Structure","Journal of Organic Chemistry","2002","67","","6015","6024","10.1021/jo025572b","","","0.71073","MoKα","","0.0768","0.0396","","","0.0863","0.0958","","","","","","1.064","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022224","27.4345","0.0002","27.4345","0.0004","9.47","0.0001","90","0.001","90","0.001","120","","6172.69","0.12","293","2","293","2","","","","","","","synthesis as described","5","R -3 :H","-R 3","148","","((+/-) 2-[2'-(1',3',4',5',6'-Pentahydropyrimidine)] lactic acid thioanilide zwitterionic","","- C13 H17 N3 O S -","- C13 H17 N3 O S -","- C234 H306 N54 O18 S18 -","18","1","","Barbara Zaleska; Tomasz Bazanek; Robert Socha; Marcin Karelus; Jacek Grochowski; Paweł Serda","Synthesis of Zwitterionic Compounds: Fully Saturated Pyrimidinylium and 1,3-Diazepinylium Derivatives via the Novel Rearrangement of 3-Oxobutanoic Acid Thioanilide Derivatives","Journal of Organic Chemistry","2002","67","","4526","4529","10.1021/jo025602a","","x-ray","0.7107","MoKα","","0.0681","0.0429","","","0.1124","0.1251","","","","","","1.047","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022225","14.808","0.001","15.348","0.001","11.096","0.001","90","","90","","90","","2521.8","0.8","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","N-[(2R)-Thiophenyl-2-allyl-phenylacetyl] (1S)-camphorsultam","","- C27 H31 N O3 S2 -","- C27 H31 N O3 S2 -","- C108 H124 N4 O12 S8 -","4","1","","Xiaomei Zhang; Zhaohui Qu; Zhihua Ma; Weifeng Shi; Xianglin Jin; Jianbo Wang","Catalytic Asymmetric [2,3]-Sigmatropic Rearrangement of Sulfur Ylides Generated from Copper(I) Carbenoids and Allyl Sulfides","Journal of Organic Chemistry","2002","67","","5621","5625","10.1021/jo025687f","","","0.71073","MoKα","","0.0501","0.0303","","","0.039","0.0416","","","","","","0.699","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022226","10.8411","0.0004","7.2542","0.0002","12.817","0.0005","90","","101.619","0.002","90","","987.32","0.06","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 O P S -","- C9 H13 O P S -","- C36 H52 O4 P4 S4 -","4","1","","Eric Mattmann; François Mercier; Louis Ricard; François Mathey","Synthesis of New Tricyclic Phosphines and Phosphinites by Intramolecular Diels-Alder Reactions of Trivalent Phospholes","Journal of Organic Chemistry","2002","67","","5422","5425","10.1021/jo025713+","","","0.71069","MoKα","","0.0742","0.0624","","","0.1812","0.1923","","","","","","1.048","","","","has coordinates","189762","2020-10-21","18:00:00",""
"4022227","9.085","0.005","11.004","0.005","10.314","0.005","90","0.005","103.309","0.005","90","0.005","1003.5","0.9","150","1","150","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 P S -","- C10 H15 P S -","- C40 H60 P4 S4 -","4","1","","Eric Mattmann; François Mercier; Louis Ricard; François Mathey","Synthesis of New Tricyclic Phosphines and Phosphinites by Intramolecular Diels-Alder Reactions of Trivalent Phospholes","Journal of Organic Chemistry","2002","67","","5422","5425","10.1021/jo025713+","","","0.71073","MoKα","","0.0563","0.0408","","","0.1194","0.1275","","","","","","1.03","","","","has coordinates","189762","2020-10-21","18:00:00",""
"4022228","10.3484","0.0003","12.5331","0.0003","13.3058","0.0004","88.715","0.002","78.692","0.002","79.56","0.002","1664.06","0.08","183.2","","183.2","","","","","","","","","4","P -1","-P 1","2","","","","- C42 H43 Fe P -","- C42 H43 Fe P -","- C84 H86 Fe2 P2 -","2","1","","Noriyasu Kataoka; Quinetta Shelby; James P. Stambuli; John F. Hartwig","Air Stable, Sterically Hindered Ferrocenyl Dialkylphosphines for Palladium-Catalyzed C-C, C-N, and C-O Bond-Forming Cross-Couplings","Journal of Organic Chemistry","2002","67","","5553","5566","10.1021/jo025732j","","","0.7107","MoKalpha","","","0.0409","","","0.0403","","","","","1.686","1.686","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022229","19.4129","0.0003","18.076","0.0004","22.333","0.001","90","","104.744","0.001","90","","7578.6","0.3","183.2","","183.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C96 H94 Fe2 P2 -","- C96 H94 Fe2 P2 -","- C384 H376 Fe8 P8 -","4","1","","Noriyasu Kataoka; Quinetta Shelby; James P. Stambuli; John F. Hartwig","Air Stable, Sterically Hindered Ferrocenyl Dialkylphosphines for Palladium-Catalyzed C-C, C-N, and C-O Bond-Forming Cross-Couplings","Journal of Organic Chemistry","2002","67","","5553","5566","10.1021/jo025732j","","","0.7107","MoKalpha","","","0.037","","","0.0411","","","","","2.206","2.206","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022230","12.8237","0.0001","18.9157","0.0001","13.8409","0.0002","90","","102.649","0.001","90","","3275.89","0.06","150","1","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H28 N2 O8 S2 -","- C36 H28 N2 O8 S2 -","- C144 H112 N8 O32 S8 -","4","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.0778","0.0554","","0.1226","0.1136","","","","1.083","1.12","1.12","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022231","12.0157","0.0003","19.0749","0.0002","17.5159","0.0004","90","","103.137","0.001","90","","3909.55","0.14","150","1","150","1","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C43.5 H36 N2 O8.5 S2 -","- C43.5 H36 N2 O8.5 S2 -","- C174 H144 N8 O34 S8 -","4","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.1525","0.096","","0.2072","0.183","","","","1.12","1.233","1.233","","","","","has coordinates,has disorder","176467","2020-10-21","18:00:00",""
"4022232","10.6461","0.0002","11.2207","0.0002","13.3772","0.0002","91.152","0.001","112.831","0.001","95.824","0.001","1462.11","0.04","150","1","150","1","","","","","","","","4","P -1","-P 1","2","","","","- C34 H26 O6 S2 -","- C34 H26 O6 S2 -","- C68 H52 O12 S4 -","2","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.0528","0.0406","","0.1182","0.1082","","","","1.096","1.096","1.096","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022233","20.9002","0.0006","12.2823","0.0004","10.9432","0.0003","90","","98.144","0.001","90","","2780.82","0.14","150","1","150","1","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H28 N2 O8 S2 -","- C29 H28 N2 O8 S2 -","- C116 H112 N8 O32 S8 -","4","0.5","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.0831","0.0569","","0.1137","0.1047","","","","1.112","1.158","1.158","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022234","10.6203","0.0002","12.3719","0.0002","15.0349","0.0003","66.3144","0.0009","70.7873","0.0009","82.9391","0.0008","1708.22","0.05","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 N2 O7 S -","- C40 H34 N2 O7 S -","- C80 H68 N4 O14 S2 -","2","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.1009","0.0772","","","0.2047","0.2298","","","","","","1.05","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022235","12.739","0.0001","13.309","0.0002","14.9414","0.0002","106.34","0.001","90.259","0.001","96.942","0.001","2411.1","0.05","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C60 H48 N2 O8 S2 -","- C60 H48 N2 O8 S2 -","- C120 H96 N4 O16 S4 -","2","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.1077","0.0654","","0.1345","0.1172","","","","1.062","1.114","1.114","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022236","23.1491","0.0002","8.7724","0.0001","18.7677","0.0002","90","","90","","90","","3811.22","0.07","150","1","150","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C42 H38 N2 O10 S2 -","- C42 H38 N2 O10 S2 -","- C168 H152 N8 O40 S8 -","4","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.0725","0.0575","","0.1216","0.1154","","","","1.152","1.193","1.193","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022237","10.4916","0.0001","14.0868","0.0001","14.9639","0.0002","85.767","0.001","81.101","0.001","70.938","0.001","2064.49","0.04","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C46 H40 N2 O10 S2 -","- C46 H36 N2 O10 S2 -","- C92 H72 N4 O20 S4 -","2","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.0749","0.0627","","0.1972","0.1879","","","","1.081","1.135","1.135","","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022238","10.3083","0.0002","13.9659","0.0002","17.4765","0.0004","90","","90","","90","","2516","0.08","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H22 N2 O8 S2 -","- C26 H22 N2 O8 S2 -","- C104 H88 N8 O32 S8 -","4","1","","Jye-Shane Yang; Chia-Peng Liu; Bor-Ching Lin; Chih-Wei Tu; Gene-Hsiang Lee","Solid-State Molecular Folding and Supramolecular Structures of Triptycene-Derived Secondary Dicarboxamides","Journal of Organic Chemistry","2002","67","","7343","7354","10.1021/jo025758a","","","0.71073","MoKα","","0.048","0.0373","","","0.0861","0.0927","","","","","","1.011","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022239","9.332","0.002","11.638","0.002","10.114","0.002","90","","106.22","0.03","90","","1054.6","0.4","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H23 Fe P -","- C28 H23 Fe P -","- C56 H46 Fe2 P2 -","2","1","","Henriette Lodberg Pedersen; Mogens Johannsen","Synthesis and Application of Arylmonophosphinoferrocene Ligands: Ultrafast Asymmetric Hydrosilylation of Styrene","Journal of Organic Chemistry","2002","67","","7982","7994","10.1021/jo0257804","","","0.71073","MoKα","","0.0782","0.0496","","0.1138","0.1006","","","","1.014","1.023","1.023","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022240","24.198","0.006","21.102","0.005","27.71","0.004","90","","105.591","0.008","90","","13628.8","5.1","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C68 H80 N6 O12 -","- C68 H74 N6 O12 -","- C544 H592 N48 O96 -","8","1","","Pablo Ballester; Magdalena Capó; Antoni Costa; Pere M. Deyà; Rosa Gomila; Andreas Decken; Ghislain Deslongchamps","Dual Binding Mode of Methylmethanetriacetic Acid to Tripodal Amidopyridine Receptors","Journal of Organic Chemistry","2002","67","","8832","8841","10.1021/jo025787l","","","0.71073","MoKα","","0.3098","0.1151","","0.3869","0.2732","","","","0.916","1.448","1.448","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022241","15.531","0.001","15.894","0.001","16.488","0.001","66.36","0.02","69.16","0.02","67.34","0.02","3341.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C69 H79 Cl3 N6 O9 -","- C69 H76 Cl3 N6 O9 -","- C138 H152 Cl6 N12 O18 -","2","1","","Pablo Ballester; Magdalena Capó; Antoni Costa; Pere M. Deyà; Rosa Gomila; Andreas Decken; Ghislain Deslongchamps","Dual Binding Mode of Methylmethanetriacetic Acid to Tripodal Amidopyridine Receptors","Journal of Organic Chemistry","2002","67","","8832","8841","10.1021/jo025787l","","","0.71073","MoKα","","0.2945","0.1194","","0.4007","0.2788","","","","1.018","1.232","1.232","","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022242","14.4877","0.0012","14.8574","0.0012","15.1182","0.0012","107.588","0.002","101.468","0.002","108.218","0.002","2787.7","0.4","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C65 H57 Cl3 N8 O4 -","- C65 H57 Cl3 N8 O4 -","- C130 H114 Cl6 N16 O8 -","2","1","","Anxin Wu; Arindam Chakraborty; Dariusz Witt; Jason Lagona; Fehmi Damkaci; Marie A. Ofori; Jessica K. Chiles; James C. Fettinger; Lyle Isaacs","Methylene-Bridged Glycoluril Dimers: Synthetic Methods","Journal of Organic Chemistry","2002","67","","5817","5830","10.1021/jo0258958","","","0.71073","MoKα","","0.0654","0.053","","","0.1502","0.1591","","","","","","1.082","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022243","10.7933","0.0009","26.35","0.002","16.7931","0.0014","90","","90","","90","","4776.1","0.7","193","2","193","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46 H54 N10 O12 -","- C46.02 H54.05 N10 O12 -","- C184.08 H216.2 N40 O48 -","4","1","","Anxin Wu; Arindam Chakraborty; Dariusz Witt; Jason Lagona; Fehmi Damkaci; Marie A. Ofori; Jessica K. Chiles; James C. Fettinger; Lyle Isaacs","Methylene-Bridged Glycoluril Dimers: Synthetic Methods","Journal of Organic Chemistry","2002","67","","5817","5830","10.1021/jo0258958","","","0.71073","MoKα","","0.0586","0.0422","","","0.1078","0.1189","","","","","","1.065","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022244","20.9952","0.0017","16.8963","0.0013","11.947","0.0009","90","","105.506","0.002","90","","4083.8","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H48 N8 O12 -","- C42 H48 N8 O12 -","- C168 H192 N32 O48 -","4","1","","Anxin Wu; Arindam Chakraborty; Dariusz Witt; Jason Lagona; Fehmi Damkaci; Marie A. Ofori; Jessica K. Chiles; James C. Fettinger; Lyle Isaacs","Methylene-Bridged Glycoluril Dimers: Synthetic Methods","Journal of Organic Chemistry","2002","67","","5817","5830","10.1021/jo0258958","","","0.71073","MoKα","","0.0774","0.0554","","","0.1372","0.1542","","","","","","1.087","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022245","6.72","0.002","28.366","0.009","9.655","0.003","90","","108.894","0.005","90","","1741","2","100","","","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H27 F2 N2 O3.5 S -","- C13 H27 F2 N2 O3.5 S -","- C52 H108 F8 N8 O14 S4 -","4","2","","Donnette D. Staas; Kelly L. Savage; Carl F. Homnick; Nancy N. Tsou; Richard G. Ball","Asymmetric Synthesis of α,α-Difluoro-β-amino Acid Derivatives from Enantiomerically Pure N-tert-Butylsulfinimines","Journal of Organic Chemistry","2002","67","","8276","8279","10.1021/jo0259313","","","0.71073","MoKα","","","0.043","","","0.091","0.105","","","","0.969","0.969","0.969","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022246","5.978","0.0004","10.568","0.0008","27.154","0.002","90","","90","","90","","1715.5","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acylated-piperidin-2-one","di(tert-butyl)-(2S)-6-oxotetrahydro-1,2(2H)-pyridinedicarboxylate","","- C15 H25 N O5 -","- C15 H25 N O5 -","- C60 H100 N4 O20 -","4","1","","J. Marin; C. Didierjean; A. Aubry; J.-P. Briand; G. Guichard","Diastereoselective Hydroxylation of 6-Substituted Piperidin-2-ones. An Efficient Synthesis of (2S,5R)-5-Hydroxylysine and Related α-Amino Acids","Journal of Organic Chemistry","2002","67","","8440","8449","10.1021/jo025950c","","","0.7107","MoKα","","0.0867","0.0629","","","0.1677","0.1905","","","","","","1.051","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022247","8.616","0.0002","11.688","0.0003","17.157","0.0004","90","","90","","90","","1727.78","0.07","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","N-acylated-3-hydroxylated piperidin-2-one","di(tert-butyl)-(2S,5R)-5-hydroxy-6-oxotetrahydro-1,2(2H)-pyridinedicarboxylate","","- C15 H25 N O6 -","- C15 H25 N O6 -","- C60 H100 N4 O24 -","4","1","","J. Marin; C. Didierjean; A. Aubry; J.-P. Briand; G. Guichard","Diastereoselective Hydroxylation of 6-Substituted Piperidin-2-ones. An Efficient Synthesis of (2S,5R)-5-Hydroxylysine and Related α-Amino Acids","Journal of Organic Chemistry","2002","67","","8440","8449","10.1021/jo025950c","","","0.7107","MoKα","","0.0657","0.0424","","","0.1065","0.1202","","","","","","0.955","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022248","20.698","0.0005","20.698","0.0005","11.1777","0.0003","90","","90","","120","","4147.1","0.2","159.2","","","","","","","","","","","5","R 3 :H","R 3","146","","","","- C17 H26 N O3 S -","- C17 H27 N O3 S -","- C153 H243 N9 O27 S9 -","9","1","","Tony P. Tang; Jonathan A. Ellman","Asymmetric Synthesis of β-Amino Acid Derivatives Incorporating a Broad Range of Substitution Patterns by Enolate Additions to tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2002","67","","7819","7832","10.1021/jo025957u","","","0.7107","MoKα","","","0","","","","0.0436","","","","","","1.62","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022249","9.338","0.001","23.936","0.002","10.855","0.001","90","","96.51","0.002","90","","2410.6","0.4","156.2","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H28 N6 O4 S -","- C20 H32 N6 O4 S -","- C80 H128 N24 O16 S4 -","4","2","","Tony P. Tang; Jonathan A. Ellman","Asymmetric Synthesis of β-Amino Acid Derivatives Incorporating a Broad Range of Substitution Patterns by Enolate Additions to tert-Butanesulfinyl Imines","Journal of Organic Chemistry","2002","67","","7819","7832","10.1021/jo025957u","","","0.7107","MoKα","","","0","","","","0.0283","","","","","","0.797","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022250","8.5477","0.0005","11.2039","0.0008","13.772","0.0012","90","","90","","90","","1318.91","0.17","173","1","173","1","","","","","","","see text","4","P n a 21","P 2c -2n","33","","","","- C14 H14 O4 S -","- C14 H14 O4 S -","- C56 H56 O16 S4 -","4","1","","Wolfgang Pitsch; Michael Klein; Manfred Zabel; Burkhard König","Synthesis and Structure of a Stabilized 10-Membered Cyclic Enediyne","Journal of Organic Chemistry","2002","67","","6805","6807","10.1021/jo025998q","","","0.71073","MoKα","","0.0343","0.032","","","0.0778","0.0789","","","","","","1.052","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022251","7.9339","0.0005","15.9909","0.0011","17.3091","0.0014","90","","90","","90","","2196","0.3","173","1","173","1","","","","","","","see text","3","P c a b","-P 2bc 2ac","61","","","","- C13 H14 O2 -","- C13 H14 O2 -","- C104 H112 O16 -","8","1","","Wolfgang Pitsch; Michael Klein; Manfred Zabel; Burkhard König","Synthesis and Structure of a Stabilized 10-Membered Cyclic Enediyne","Journal of Organic Chemistry","2002","67","","6805","6807","10.1021/jo025998q","","","0.71073","MoKα","","0.0465","0.0371","","","0.0949","0.0989","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"4022252","3.777","0.0001","9.4807","0.0002","8.2024","0.0002","90","","98.348","0.001","90","","290.604","0.012","150","2","150","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","diazetine","3-Methyl-1,3,5-triazabicyclo[3.2.0]hept-6-ene-2,4-dione","","- C5 H5 N3 O2 -","- C5 H5 N3 O2 -","- C10 H10 N6 O4 -","2","0.5","","Gary W. Breton; Kenneth L. Martin","Are 1,2-Dihydrodiazetes Aromatic? An Experimental and Computational Investigation","Journal of Organic Chemistry","2002","67","","6699","6704","10.1021/jo026082m","","","0.71073","MoKα","","0.0607","0.0318","","","0.0827","0.0848","","","","","","0.686","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022253","9.6035","0.0008","19.58","0.003","17.734","0.003","90","","95.768","0.008","90","","3317.8","0.7","293.2","","293.2","","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C34 H43 N O8 -","- C34 H43 N O8 -","- C136 H172 N4 O32 -","4","1","","Kazunori Tsubaki; Tadamune Otsubo; Tatsuya Morimoto; Hiromi Maruoka; Mika Furukawa; Yashima Momose; Muhong Shang; Kaoru Fuji","Modification of the Upper Rim of Homooxacalix[3]arenes and Complexation between a Nitrohomooxacalix[3]arene Derivative and n-Hexylamine","Journal of Organic Chemistry","2002","67","","8151","8156","10.1021/jo026152p","","","1.5418","CuKα","","","0.1217","","","0.1727","","","","","1.62","1.62","","","","","has coordinates","176467","2020-10-21","18:00:00",""
"4022254","10.863","0.003","16.517","0.003","10.313","0.003","90","","90","","90","","1850.4","0.7","296.2","","296.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 Cl3 N O3 -","- C15 H24 Cl3 N O3 -","- C60 H96 Cl12 N4 O12 -","4","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1092","0.0756","","0.0474","0.0458","","","","2.572","2.903","2.903","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022255","12.079","0.008","13.306","0.004","20.402","0.004","90","","95.11","0.03","90","","3266","2","296.2","","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H16 Cl3 N O5 -","- C12 H16 Cl3 N O5 -","- C96 H128 Cl24 N8 O40 -","8","2","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1665","0.0654","","0.0731","0.0605","","","","1.516","1.816","1.816","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022256","18.172","0.005","12.733","0.007","10.866","0.005","90","","90","","90","","2514","2","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8 H12 Cl3 N O3 -","- C8 H12 Cl2.996 N O3 -","- C64 H96 Cl23.968 N8 O24 -","8","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1593","0.0862","","","0.2246","0.2851","","","","","","1.015","","","","has coordinates,has disorder","178400","2020-10-21","18:00:00",""
"4022257","10.2633","0.0018","10.9378","0.0013","9.7783","0.0018","115.014","0.011","115.946","0.012","74.141","0.013","889.2","0.2","293","2","296.2","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H16 Cl3 N O7 -","- C13 H16 Cl3 N O7 -","- C26 H32 Cl6 N2 O14 -","2","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.0631","0.0574","","","0.1589","0.1672","","","","","","1.053","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022258","12.947","0.006","20.304","0.004","8.817","0.004","90","","90","","90","","2317","1","296.2","","296.2","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H24 O11 S -","- C20 H24 O11 S -","- C80 H96 O44 S4 -","4","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.0748","0.0489","","0.0409","0.0387","","","","1.826","1.971","1.971","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022259","14.347","0.002","17.944","0.002","11.441","0.002","90","","90","","90","","2945.4","0.5","296.2","","296.2","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H18 Cl3 N O3 -","- C11 H18 Cl3 N O3 -","- C88 H144 Cl24 N8 O24 -","8","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.1425","0.0745","","0.0535","0.0501","","","","2.216","2.739","2.739","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022260","10.9186","0.0015","12.083","0.002","13.501","0.003","90","","93.721","0.016","90","","1777.4","0.6","293","2","296.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 Cl3 N O5 -","- C13 H18 Cl3 N O5 -","- C52 H72 Cl12 N4 O20 -","4","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","1.5418","CuKα","","0.095","0.0641","","","0.168","0.1905","","","","","","1.034","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022261","11.595","0.006","12.862","0.005","11.561","0.006","101.31","0.04","119.63","0.03","73.15","0.03","1431","1","296.2","","296.2","","","","","","","","","6","P -1","-P 1","2","","","","- C19 H36 Cl5 N3 O5 Os -","- C19 H36 Cl5 N3 O5 Os -","- C38 H72 Cl10 N6 O10 Os2 -","2","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","0.7107","MoKα","","0.066","0.0354","","0.0369","0.0316","","","","1.609","1.521","1.521","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022262","9.037","0.003","10.391","0.006","10.441","0.004","90","","112.68","0.03","90","","904.6","0.7","296.2","","296.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H24 F3 N3 O5 Os -","- C13 H23 F3 N3 O5 Os -","- C26 H46 F6 N6 O10 Os2 -","2","1","","Timothy J. Donohoe; Kevin Blades; Peter R. Moore; Michael J. Waring; Jon J. G. Winter; Madeleine Helliwell; Nicholas J. Newcombe; Geoffrey Stemp","Directed Dihydroxylation of Cyclic Allylic Alcohols and Trichloroacetamides Using OsO~4~/TMEDA","Journal of Organic Chemistry","2002","67","","7946","7956","10.1021/jo026161y","","","0.7107","MoKα","","0.0516","0.0323","","0.0324","0.0276","","","","1.73","1.576","1.576","","","","","has coordinates","209478","2020-10-21","18:00:00",""
"4022263","25.073","0.003","17.012","0.003","13.935","0.002","90","","91.307","0.004","90","","5942.6","1.6","294","2","294","2","","","","","","","","7","C 1 2 1","C 2y","5","","","","- C56 H58 Cl2 N4 O4 P2 Ru -","- C56 H58 Cl2 N4 O4 P2 Ru -","- C224 H232 Cl8 N16 O16 P8 Ru4 -","4","1","","Jing Wu; Hua Chen; Waihim Kwok; Rongwei Guo; Zhongyuan Zhou; Chihung Yeung; Albert S. C. Chan","Air-Stable Catalysts for Highly Efficient and Enantioselective Hydrogenation of Aromatic Ketones","Journal of Organic Chemistry","2002","67","","7908","7910","10.1021/jo026168f","","","0.71073","MoKα","","0.0723","0.0579","","","0.1647","0.1748","","","","","","1.161","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022264","10.444","0.002","14.81","0.002","9.779","0.001","98.69","0.02","92.62","0.03","73.11","0.02","1430.7","0.4","273.2","","273.2","","","","","","","","","2","P -1","-P 1","2","","","","?","- C36 H46 -","- C72 H92 -","2","1","","Vered Marks; Moshe Nahmany; Hugo E. Gottlieb; Silvio E. Biali","Polyethylated Triptycene Derivatives","Journal of Organic Chemistry","2002","67","","7898","7901","10.1021/jo026206v","","","0.7107","MoKalpha","","","0.06","","","0.086","","","","","1.64","1.64","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022265","10.35","0.004","16.65","0.005","9.89","0.01","93.38","0.05","112.04","0.06","77.05","0.03","1538","1","293.2","","293.2","","","","","","","","","2","P -1","-P 1","2","","","","?","- C38 H50 -","- C76 H100 -","2","1","","Vered Marks; Moshe Nahmany; Hugo E. Gottlieb; Silvio E. Biali","Polyethylated Triptycene Derivatives","Journal of Organic Chemistry","2002","67","","7898","7901","10.1021/jo026206v","","","1.5418","CuKalpha","","","0.053","","","0.099","","","","","2.44","2.44","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022266","14.5483","0.0019","7.3661","0.001","10.7779","0.0014","90","","128.837","0.002","90","","899.7","0.2","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","2,5-dibromo-3,4-ditnitrothiophene","2,5-dibromo-3,4-ditnitrothiophene","","- C4 Br2 N2 O4 S -","- C4 Br2 N2 O4 S -","- C16 Br8 N8 O16 S4 -","4","0.5","","Don D. Kenning; Kari A. Mitchell; Tessa R. Calhoun; Melanie R. Funfar; Daniel J. Sattler; Seth C. Rasmussen","Thieno[3,4-b]pyrazines: Synthesis, Structure, and Reactivity","Journal of Organic Chemistry","2002","67","","9073","9076","10.1021/jo0262255","","","0.71073","MoKα","","0.0581","0.0472","","","0.1073","0.1106","","","","","","0.799","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022267","6.8858","0.0006","7.7556","0.0008","8.0654","0.0008","72.509","0.002","80.435","0.002","87.671","0.002","405.08","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","2,3-dimethylthieno[3,4-b]pyrazine","2,3-dimethylthieno[3,4-b]pyrazine","","- C8 H8 N2 S -","- C8 H8 N2 S -","- C16 H16 N4 S2 -","2","1","","Don D. Kenning; Kari A. Mitchell; Tessa R. Calhoun; Melanie R. Funfar; Daniel J. Sattler; Seth C. Rasmussen","Thieno[3,4-b]pyrazines: Synthesis, Structure, and Reactivity","Journal of Organic Chemistry","2002","67","","9073","9076","10.1021/jo0262255","","","0.71073","MoKα","","0.0701","0.0392","","","0.0906","0.1033","","","","","","1.024","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022268","6.439","0.002","7.68","0.002","20.619","0.005","90","","90","","90","","1019.7","0.4","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C10 H14 F N O3 -","- C10 H14 F N O3 -","- C40 H56 F4 N4 O12 -","4","1","","Alan Armstrong; Ghafoor Ahmed; Belén Domínguez-Fernández; Barry R. Hayter; J. Steven Wailes","Enantioselective Epoxidation of Alkenes Catalyzed by 2-Fluoro-N-Carbethoxytropinone and Related Tropinone Derivatives","Journal of Organic Chemistry","2002","67","","8610","8617","10.1021/jo026322y","","","0.71073","MoKα","","0.0324","0.0296","","","0.0763","0.0789","","","","","","1.059","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022269","9.9916","0.0009","12.6105","0.0011","14.2706","0.0017","96.515","0.009","106.851","0.009","94.268","0.007","1698.8","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H31 Br N4 Ni -","- C45.4 H29.8 Br0.7 N4 Ni -","- C90.8 H59.6 Br1.4 N8 Ni2 -","2","1","","Izabela Schmidt; Piotr J. Chmielewski; Zbigniew Ciunik","Alkylation of the Inverted Porphyrin Nickel(II) Complex by Dihalogenalkanes: Formation of Monomeric and Dimeric Derivatives","Journal of Organic Chemistry","2002","67","","8917","8927","10.1021/jo026328n","","","0.71073","MoKα","","0.0838","0.0687","","","0.1838","0.1941","","","","","","1.037","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022270","6.154","0.001","21.446","0.005","7.486","0.002","90","","99.62","0.02","90","","974.1","0.4","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","?","- C32 H52 I4 O8 -","- C32 H52 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.043","","","0.054","","","","","2.24","2.24","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022271","8.354","0.002","18.62","0.007","6.798","0.004","89","","89","","90","","1057","1","20","","20","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","?","- C36 H60 I4 O8 -","- C36 H60 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.036","","","0.042","","","","","1.66","1.66","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022272","9.241","0.003","10.113","0.003","11.632","0.003","90","","95.18","0.02","90","","1082.6","0.5","20","","20","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","?","- C36 H60 I4 O8 -","- C36 H60 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.057","","","0.066","","","","","2.59","2.59","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022273","11.72","0.005","14.66","0.004","6.647","0.004","90","","90","","90","","1142.1","0.9","20","","20","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","?","- C40 H68 I4 O8 -","- C40 H68 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.046","","","0.058","","","","","1.78","1.78","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022274","6.816","0.004","7.926","0.003","21.29","0.004","90","","94.67","0.04","90","","1146.4","0.7","20","","20","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","?","- C40 H68 I4 O8 -","- C40 H68 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.031","","","0.039","","","","","1.38","1.38","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022275","9.377","0.003","9.892","0.004","16.643","0.005","90","","93.58","0.03","90","","1540.7","0.8","20","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","?","- C48 H72 I8 O16 -","- C48 H72 I8 O16 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.034","","","0.048","","","","","2.16","2.16","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022276","6.395","0.001","6.741","0.001","17.932","0.004","90","","98.22","0.02","90","","765.1","0.2","20","","20","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","?","- C24 H36 I4 O8 -","- C24 H36 I4 O8 -","","","","Xingang Fang; Hairong Xia; Hui Yu; Xicheng Dong; Minbo Chen; Quanrui Wang; Fenggang Tao; Chaozhong Li","On the 6-Exo Atom Transfer Radical Cyclization Reactions of 3-Butenyl 2-Iodoalkanoates","Journal of Organic Chemistry","2002","67","","8481","8488","10.1021/jo026381b","","","0.7107","MoKalpha","","","0.035","","","0.045","","","","","1.92","1.92","","","","","has coordinates","178400","2020-10-21","18:00:00",""
"4022277","7.2889","0.0007","7.5705","0.0006","15.566","0.002","90","","96.4","0.4","90","","853.6","0.5","293","","293","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C38 H42 N2 O6 -","2","1","","Christophe Lucatelli; Florian Viton; Yves Gimbert; Andrew E. Greene","Synthesis of C-3' Methyl Taxotere (Docetaxel)","Journal of Organic Chemistry","2002","67","","9468","9470","10.1021/jo026460n","","","0.7107","MoKα","","0.0496","0.0496","","0.0664","","0.0664","","","1.903","","","1.903","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022278","8.787","0.002","10.58","0.001","21.09","0.003","90","","90","","90","","1960.8","0.5","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H23 N O4 -","- C21 H23 N O4 -","- C84 H92 N4 O16 -","4","1","","Christophe Lucatelli; Florian Viton; Yves Gimbert; Andrew E. Greene","Synthesis of C-3' Methyl Taxotere (Docetaxel)","Journal of Organic Chemistry","2002","67","","9468","9470","10.1021/jo026460n","","","1.5418","CuKα","","0.044","0.044","","0.0468","","0.0468","","","1.887","","","1.887","","","","has coordinates","201982","2020-10-21","18:00:00",""
"4022279","15.576","0.003","8.4535","0.0015","13.024","0.002","90","","110.222","0.003","90","","1609.2","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","02006","","","- C16 H22 N2 O S -","- C16 H22 N2 O S -","- C64 H88 N8 O4 S4 -","4","1","","Indranath Ghosh; Peter A. Jacobi","Lewis Acid-Promoted Oxidative Addition of Thioimidates to Pd(0)","Journal of Organic Chemistry","2002","67","","9304","9309","10.1021/jo026510o","","","0.71073","MoKα","","0.0556","0.0443","","","0.1212","0.1309","","","","","","1.052","","","","has coordinates","211332","2020-10-21","18:00:00",""
"4022280","11.9434","0.0012","11.9627","0.0012","12.4894","0.0013","89.733","0.002","62.709","0.002","86.435","0.002","1582.2","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","02057","","","- C32 H44 N4 O2 S2 -","- C32 H44 N4 O2 S2 -","- C64 H88 N8 O4 S4 -","2","1","","Indranath Ghosh; Peter A. Jacobi","Lewis Acid-Promoted Oxidative Addition of Thioimidates to Pd(0)","Journal of Organic Chemistry","2002","67","","9304","9309","10.1021/jo026510o","","","0.71073","MoKα","","0.0488","0.0348","","","0.0886","0.0955","","","","","","1.047","","","","has coordinates","211332","2020-10-21","18:00:00",""