# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T05:15:25+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 'Organic Letters') AND volume = 3 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
"1100249","7.2624","0.0004","8.541","0.0005","30.4681","0.0018","90","","90","","90","","1889.88","","","","193","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","7-Neomenthyloxycarbonyl-7-azatricyclo(4.2.2.1^2,5^)undec-3,9-dien-8-one","","- C21 H29 N O3 -","- C21 H29 N O3 -","- C84 H116 N4 O12 -","4","1","","Bach, Thorsten; Bergmann, Hermann; Harms, Klaus","Enantioselective Photochemical Reactions of 2-Pyridones in Solution","Organic Letters","2001","3","4","601","603","10.1021/ol007004t","","","","","","","3.44","","","3.44","","","","","","","","","","","has coordinates","177549","2020-10-21","18:00:00",""
"1507500","8.712","0.001","12.524","0.002","8.438","0.001","90","","117.2","0.1","90","","818.9","0.8","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C7 H9 N5 -","- C7 H9 N5 -","- C28 H36 N20 -","4","1","","Pedireddi, V. R.; Ranganathan, Anupama; Ganesh, Krishna N.","Cyanurate Mimics of Hydrogen-Bonding Patterns of Nucleic Bases: Crystal Structure of a 1:1 Molecular Complex of 9-Ethyladenine andN-Methylcyanuric Acid","Organic Letters","2001","3","1","99","","10.1021/ol006811p","","","0.71073","MoKα","","0.1171","0.0665","","0.1785","0.1423","","","","1.136","1.23","1.23","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507501","6.15","0.001","10.433","0.001","14.725","0.002","74.73","0.01","87.33","0.01","86.8","0.01","909.5","0.2","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H20 Cl N O2 S -","- C20 H20 Cl N O2 S -","- C40 H40 Cl2 N2 O4 S2 -","2","1","","Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T.","Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions","Organic Letters","2001","3","3","369","","10.1021/ol006863e","","","0.71073","MoKα","","0.0411","0.0358","","","0.0909","0.0946","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507502","12.398","0.003","9.766","0.003","16.128","0.003","90","","95.65","0.02","90","","1943.3","0.8","160","2","160","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H22 Cl N O2 S -","- C21 H22 Cl N O2 S -","- C84 H88 Cl4 N4 O8 S4 -","4","2","","Greig, Ian R.; Tozer, Matthew J.; Wright, Paul T.","Synthesis of Cyclic Sulfonamides through Intramolecular Diels−Alder Reactions","Organic Letters","2001","3","3","369","","10.1021/ol006863e","","","0.71073","MoKα","","0.0503","0.0432","","0.1151","0.1056","","","","1.037","1.054","1.054","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507503","13.0629","0.0015","5.3745","0.0006","17.45","0.002","90","","99.449","0.002","90","","1208.5","0.2","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","α-benzamidoacetophenone","","","- C15 H13 N O2 -","- C15 H13 N O2 -","- C60 H52 N4 O8 -","4","1","","Mandel, Sarah M.; Krause Bauer, Jeanette A.; Gudmundsdottir, Anna D.","Photolysis of α-Azidoacetophenones: Trapping of Triplet Alkyl Nitrenes in Solution","Organic Letters","2001","3","4","523","","10.1021/ol0068750","","","0.71073","MoKα","","0.1252","0.0582","","","0.1213","0.1489","","","","","","1.155","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507504","15.8166","0.0004","15.9376","0.0002","16.5142","0.0006","68.705","0.002","66.989","0.001","67.819","0.002","3432.7","0.17","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C70 H81 Cl3 N6 O9 -","- C70 H76 Cl3 N6 O9 -","- C140 H152 Cl6 N12 O18 -","2","1","","Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain","Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes","Organic Letters","2001","3","2","267","","10.1021/ol0069148","","","0.71073","MoKα","","0.2635","0.1206","","0.3999","0.295","","","","1.014","1.275","1.275","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507505","17.264","0.002","29.223","0.003","28.645","0.003","90","","95.776","0.004","90","","14378","3","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C71 H84 N6 O9 -","- C71 H88 N6 O9 -","- C568 H704 N48 O72 -","8","1","","Ballester, Pablo; Capó, Magdalena; Costa, Antoni; Deyà, Pere M.; Gomila, Rosa; Decken, Andreas; Deslongchamps, Ghislain","Selective Binding ofcis-1,3,5-Cyclohexane Tricarboxylic Acid vs Its EpimerictransIsomer by a Tripodal Amidopyridine Receptor; Crystal Structures of the 1:1 Complexes","Organic Letters","2001","3","2","267","","10.1021/ol0069148","","","0.71073","MoKα","","0.3265","0.12","","0.4491","0.3098","","","","1.033","1.324","1.324","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507506","10.0689","0.0013","10.0689","0.0013","30.962","0.005","90","","90","","120","","2718.5","0.7","213","2","213","2","","","","","","","","4","P 65","P 65","170","","","","- C21 H26 N2 O2 -","- C21 H26 N2 O2 -","- C126 H156 N12 O12 -","6","1","","Myers, Andrew G.; Barbay, Joseph K.","On the Inherent Instability of α-Amino α‘-Fluoro Ketones. Evidence for Their Transformation to Reactive Oxyvinyliminium Ion Intermediates","Organic Letters","2001","3","3","425","","10.1021/ol006931x","","","0.71073","MoKα","","0.0603","0.0454","","","0.1026","0.1109","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507507","9.701","0.0002","15.335","0.0005","16.841","0.0005","90","","101.446","0.002","90","","2455.52","0.12","150.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","trans-4'-phenyl-3,3,3',3'-tetrakis(trifluoromethyl)-3H- spiro[[2,1]benzoxaselenole-1λ4,1'-[1,2]-selenazetidine]","","- C25 H15 F12 N O Se -","- C25 H15 F12 N O Se -","- C100 H60 F48 N4 O4 Se4 -","4","1","","Kano, Naokazu; Daicho, Yuya; Nakanishi, Nobuhito; Kawashima, Takayuki","Synthesis, Crystal Structure, and Thermolysis of the First Tetracoordinate 1λ4,2-Selenazetidines: Aziridine Formation Reaction from a Four-Membered Heterocycle Bearing Highly Coordinate Selenium","Organic Letters","2001","3","5","691","","10.1021/ol007015m","","","0.7107","MoKα","","","0.0392","","","","0.1178","","","","","","2.154","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507508","11.471","0.001","14.158","0.001","17.121","0.001","73.02","","89.26","","89.44","","2659.1","0.3","293","2","293","2","","","","","","","synthesized","3","P -1","-P 1","2","","12-hydroxy-16-oxatetracyclo(10.3.1.0[1,5]. 0[7,11])hexadec-7(11)ene-2,6-dione ?","","- C15 H18 O4 -","- C15 H18 O4 -","- C120 H144 O32 -","8","4","","Ranganathan, Subramania; Muraleedharan, K. M.; Rao, CH. Chandrashekhar; Vairamani, M.; Karle, Isabella L.","One-Step Transformation of Tricyclopentabenzene (Trindane, C15H18) to Bicyclo(10.3.0)pentadec-1(12)ene- 2,6,7,11-tetrone (C15H18O4) and Its Aldol Product, 12-Hydroxy-16-oxatetracyclo(10.3.1.0.1,507,11)hexadec-7(11)ene-2,6-dione (C15H18O4)⊥","Organic Letters","2001","3","16","2447","","10.1021/ol010086g","","","1.54178","CuKα","","0.098","0.0607","","0.1725","0.1414","","","","1.009","1.044","1.044","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507509","23.455","0.003","8.073","0.003","5.524","0.002","90","","90","","90","","1046","0.6","120","2","120","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","diphenyldisulphide","diphenyldisulphide","","- C12 H10 S2 -","- C12 H10 S2 -","- C48 H40 S8 -","4","1","","Shimizu, Toshio; Isono, Hiromi; Yasui, Masanori; Iwasaki, Fujiko; Kamigata, Nobumasa","Solid State Optical Activity of Dichalcogenides: Isolation by Chiral Crystallization and Determination of Absolute Configuration","Organic Letters","2001","3","23","3639","","10.1021/ol010172g","","","0.71073","MoKα","","0.0193","0.019","","","0.0551","0.0554","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507510","9.0192","0.0012","4.9332","0.0006","15.1987","0.0019","90","","106.981","0.002","90","","646.76","0.14","213","2","213","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C13 H14 Br Cl O3 -","- C12 H12 Br Cl O3 -","- C24 H24 Br2 Cl2 O6 -","2","1","","Evans, David A.; Burch, Jason D.","Asymmetric Synthesis of the Chlorocyclopropane-Containing Callipeltoside A Side Chain","Organic Letters","2001","3","4","503","","10.1021/ol0155182","","","0.71073","MoKα","","0.0597","0.0393","","","0.0952","0.1046","","","","","","0.931","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507511","9.3178","0.0011","26.18","0.003","9.0683","0.001","90","","90.272","0.002","90","","2212.1","0.4","133","2","133","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H32 N2 O3 -","- C28 H32 N2 O3 -","- C112 H128 N8 O12 -","4","1","","Nelsen, Stephen F.; Li, Gaoquan; Konradsson, Asgeir","Twist-Dependent Electronic Coupling in an Organic Intervalence Radical Cation","Organic Letters","2001","3","10","1583","","10.1021/ol015874k","","","0.71073","MoKα","","0.079","0.0534","","","0.1318","0.145","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507512","9.8354","0.001","9.7459","0.0009","12.7953","0.0013","90","","92.642","0.002","90","","1225.2","0.2","223","2","223","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H25 Br2 O6 -","- C24 H25 Br2 O6 -","- C48 H50 Br4 O12 -","2","1","","Hu, Yongbo; Li, Chaomin; Kulkarni, Bheemashankar A.; Strobel, Gary; Lobkovsky, Emil; Torczynski, Richard M.; Porco, John A.","Exploring Chemical Diversity of Epoxyquinoid Natural Products: Synthesis and Biological Activity of (−)-Jesterone and Related Molecules","Organic Letters","2001","3","11","1649","","10.1021/ol0159367","","","0.71073","MoKα","","0.0571","0.0362","","","0.0737","0.0819","","","","","","0.867","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1507513","8.653","0.001","10.035","0.002","12.381","0.002","102.262","0.012","110.021","0.011","103.18","0.01","932.6","0.3","293","","293","","","","","","","","","3","P -1","-P 1","2","","","","- C17 H30 O4 -","- C17 H30 O4 -","- C34 H60 O8 -","2","1","","de Armas, Pedro; García-Tellado, Fernando; Marrero-Tellado, José J.; Tejedor, David; Maestro, Miguel A.; Gonzalez-Platas, Javier","Alkynoates as a Source of Reactive Alkylinides for Aldehyde Addition Reactions","Organic Letters","2001","3","12","1905","","10.1021/ol015951b","","","0.71073","MoKα","","0.1349","0.0744","","0.2602","","0.2188","","","1.053","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507514","19.646","0.004","5.849","0.001","29.643","0.006","90","","101.67","0.03","90","","3335.8","1.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H12 N2 S5 -","- C15 H12 N2 S5 -","- C120 H96 N16 S40 -","8","2","","Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben","A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate","Organic Letters","2001","3","12","1941","","10.1021/ol015990n","","","0.71073","MoKα","","0.0626","0.0384","","","0.1007","0.1082","","","","","","0.862","","","","has coordinates","288258","2023-12-12","16:01:19",""
"1507515","12.996","0.003","7.934","0.002","22.205","0.004","90","","109.62","0.03","90","","2156.6","0.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C9 H7 N S4 -","- C9 H7 N S4 -","- C72 H56 N8 S32 -","8","1","","Jia, Chunyang; Zhang, Deqing; Xu, Wei; Zhu, Daoben","A New Approach to 4-Alkylthio-1,3-dithiole-2-thione: An Unusual Reaction of a Zinc Complex of 1,3-Dithole-2-thione-4,5-dithiolate","Organic Letters","2001","3","12","1941","","10.1021/ol015990n","","","0.71073","MoKα","","0.0409","0.0357","","","0.1062","0.1099","","","","","","1.132","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507516","12.105","0.001","12.145","0.004","13.547","0.002","74.72","0.02","66.281","0.008","81.38","0.02","1756.8","0.7","150","","150","","","","","","","","","4","P -1","-P 1","2","","","","- C70 H100 B4 O26 -","- C70 H60 B4 O26 -","- C70 H60 B4 O26 -","1","0.5","","Davis, Claude J.; Lewis, Patrick T.; Billodeaux, Damon R.; Fronczek, Frank R.; Escobedo, Jorge O.; Strongin, Robert M.","Solid-State Supramolecular Structures of Resorcinol−Arylboronic Acid Compounds","Organic Letters","2001","3","16","2443","","10.1021/ol0160194","","","0.71073","Mo-Kα","","0.151","0.084","","0.095","0.089","","","","3.931","3.697","3.697","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507517","10.6837","0.0004","6.2994","0.0003","18.8641","0.0008","90","","102.031","0.003","90","","1241.68","0.09","198.2","","198.2","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H37 N O5 S Si -","- C23 H37 N O5 S Si -","- C46 H74 N2 O10 S2 Si2 -","2","1","","Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R.","Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements","Organic Letters","2001","3","13","2109","","10.1021/ol0160708","","","0.7107","MoKα","","0.0511","0.03","","0.0814","","0.039","","","1.221","","","1.221","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507518","21.9379","0.0008","13.6295","0.0004","23.4087","0.0008","90","","95.352","0.001","90","","6968.7","0.4","173.2","","173.2","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N2 O7 S -","- C24 H26 N2 O7 S -","- C288 H312 N24 O84 S12 -","12","3","","Fenster, Michaël D. B.; Patrick, Brian O.; Dake, Gregory R.","Construction of Azaspirocyclic Ketones through α-Hydroxyiminium Ion or α-Siloxy Epoxide Semipinacol Rearrangements","Organic Letters","2001","3","13","2109","","10.1021/ol0160708","","","0.7107","MoKα","","0.0724","0.038","","0.1043","","0.045","","","0.966","","","0.97","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507519","24.646","0.005","10.612","0.002","13.602","0.003","90","","90","","90","","3557.5","1.3","213","2","213","2","","","","","","","","5","A b a 2","A 2 -2ab","41","","","","- C16 H11 Cl3 O S3 -","- C16 H11 Cl3 O S3 -","- C128 H88 Cl24 O8 S24 -","8","","","Marsella, Michael J.; Yoon, Kunsang; Tham, Fook S.","Synthesis and Crystal Structure of a Tubular Sexithiophene","Organic Letters","2001","3","13","2129","","10.1021/ol016122t","","","0.71073","MoKα","","0.1175","0.0749","","","0.2001","0.2329","","","","","","1.017","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507520","8.1348","0.0004","12.0317","0.0005","20.4322","0.0009","90","","90","","90","","1999.81","0.16","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C13 H12 O3 -","- C13 H12 O3 -","- C104 H96 O24 -","8","1","","Harmata, Michael; Rashatasakhon, Paitoon","A 4 + 3 Cycloaddition Approach to the Synthesis of Spatol. A Formal Total Synthesis of Racemic Spatol","Organic Letters","2001","3","16","2533","","10.1021/ol016200c","","","0.71073","MoKα","","0.0472","0.0398","","","0.1058","0.1118","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507521","8.9084","0.0007","10.0653","0.0008","14.7694","0.0011","84.534","0.002","84.355","0.002","78.48","0.002","1287.45","0.17","223","2","223","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O2 -","- C15 H20 O2 -","- C60 H80 O8 -","4","2","","Loh, Teck-Peng; Hu, Qi-Ying; Tan, Kui-Thong; Cheng, Hin-Soon","Diverse Cyclization Catalyzed by In(OTf)3for the Convergent Assembly of Substituted Tetrahydrofurans and Tetrahydropyrans","Organic Letters","2001","3","17","2669","","10.1021/ol016228o","","","0.71073","MoKα","","0.0865","0.0566","","","0.1213","0.1309","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507522","6.4313","0.0001","11.6244","0.0001","22.4048","0.0003","90","","90","","90","","1674.98","0.04","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H26 O5 S -","- C16 H26 O5 S -","- C64 H104 O20 S4 -","4","1","","Yu, Ming; Lynch, Vincent; Pagenkopf, Brian L.","Intramolecular Cyclopropanation of Glycals: Studies toward the Synthesis of Canadensolide, Sporothriolide, and Xylobovide","Organic Letters","2001","3","16","2563","","10.1021/ol016239h","","","0.71073","MoKα","","0.0566","0.0524","","","0.1425","0.1443","","","","","","1.135","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507523","15.01","0.003","9.2219","0.0016","20.202","0.004","90","","101.725","0.004","90","","2738","0.9","173","2","173","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","7,16-Diphenylfluorantheneo[8,9-k]fluoranthene","","- C42 H24 -","- C42 H24 -","- C168 H96 -","4","1","","Neudorff, Wolf Dietrich; Schulte, Niels; Lentz, Dieter; Schlüter, A. Dieter","8,9-Didehydrofluoranthenes as Building Blocks for the Synthesis of Extended Polycyclic Aromatic Hydrocarbons (PAHs)","Organic Letters","2001","3","20","3115","","10.1021/ol016391j","","","0.71073","MoKα","","0.0732","0.0464","","","0.119","0.1302","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507524","7.926","0.0016","8.64","0.0017","26.257","0.005","90","","93.35","0.03","90","","1795","0.6","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H23 N3 O5 -","- C17 H23 N3 O5 -","- C68 H92 N12 O20 -","4","1","","Hughes, Freddie; Grossman, Robert B.","A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines","Organic Letters","2001","3","18","2911","","10.1021/ol016395o","","","0.71073","MoKα","","0.0704","0.0508","","","0.1081","0.1169","","","","","","1.076","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507525","6.563","0.0004","10.748","0.0006","22.495","0.0012","90","","90","","90","","1586.78","0.16","173","1","173","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H21 N3 O5 -","- C14 H21 N3 O5 -","- C56 H84 N12 O20 -","4","1","","Hughes, Freddie; Grossman, Robert B.","A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines","Organic Letters","2001","3","18","2911","","10.1021/ol016395o","","","0.71073","MoKα","","0.054","0.0435","","","0.0865","0.0897","","","","","","1.092","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507526","29.928","0.004","9.445","0.001","18.951","0.003","90","","120.43","0.01","90","","4619","1.2","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H25 F3 N2 O8 -","- C20 H23.634 F3 N2 O8 -","- C160 H189.072 F24 N16 O64 -","8","1","","Hughes, Freddie; Grossman, Robert B.","A Heterocycle-Forming Double Michael Reaction. [5 + 1] Annulation Route to Highly Substituted and Functionalized Piperidines","Organic Letters","2001","3","18","2911","","10.1021/ol016395o","","","0.7107","MoKα","","0.0705","0.0497","","","0.1181","0.1301","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507527","12.541","0.003","8.7123","0.0004","12.566","0.003","90","","118.02","0.03","90","","1212","0.5","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H15 Br O4 -","- C11 H15 Br O4 -","- C44 H60 Br4 O16 -","4","1","","Runcie, Karen A.; Taylor, Richard J. K.","A Short and Efficient Route to Novel Scyphostatin Analogues","Organic Letters","2001","3","21","3237","","10.1021/ol0164132","","","0.71073","MoKα","","0.0541","0.0283","","","0.0666","0.0746","","","","","","1.032","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507528","7.069","0.0016","18.263","0.004","5.618","0.0017","90","","110.236","0.018","90","","680.5","0.3","298","2","298","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,4-diphenylcyclohexane ?","","- C18 H20 -","- C18 H20 -","- C36 H40 -","2","0.5","","Tukada, Hideyuki; Mochizuki, Katsura","Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation","Organic Letters","2001","3","21","3305","","10.1021/ol0165241","","","0.71073","MoKα","","0.0703","0.0638","","","0.1455","0.1483","","","","","","1.144","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507529","18.995","0.005","18.995","0.005","7.835","0.004","90","","90","","120","","2448.2","1.5","298","2","298","2","","","","","","","","2","P 3 1 c","P 3 -2c","159","","1,3-diphenyladamantane ?","","- C22 H24 -","- C22 H24 -","- C132 H144 -","6","1","","Tukada, Hideyuki; Mochizuki, Katsura","Long-Range Magnetic Interactions intrans-1,4-Cyclohexylene- and 1,3-Adamantylene-bis(p-nitrenylbenzene) by π−σ−π Hyperconjugation","Organic Letters","2001","3","21","3305","","10.1021/ol0165241","","","0.71073","MoKα","","0.13","0.0579","","","0.1134","0.1436","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507530","12.5856","0.0012","9.9628","0.0015","20.218","0.002","90","","92.877","0.013","90","","2531.9","0.5","148","","148","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","phenyl (5S^*^,7^*^,10S^*^)-6,13-diaza-3-hydroxy-5-(2-methylpropyl)-13- (phenoxycarbonyl)-pentacyclo[8.2.2.0^1,3^.0^2,7^.0^7,12^]tetradecane- 6-carboxylate","","- C30 H34 N2 O5 -","- C30 H34 N2 O5 -","- C120 H136 N8 O20 -","4","1","","Comins, Daniel L.; Williams, Alfred L.","Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine","Organic Letters","2001","3","20","3217","","10.1021/ol016556o","","","0.71073","MolybdenumKα","","0.055","0.054","","0.052","","0.051","","","","","","1.25","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507531","8.6581","0.0004","9.705","0.0004","16.1393","0.0008","100.945","0.006","94.908","0.006","97.909","0.004","1310.08","0.11","148","","148","","","","","","","","","4","P -1","-P 1","2","","phenyl (1S^*^,3S^*^,10S^*^)-2,8-diaza-3-(2-methylpropyl)-5-oxo-8- (phenoxycarbonyl)-tetracyclo[8.2.2.0^1,6^.0^7,12^]tetradecane-2- carboxylate","","- C30 H34 N2 O5 -","- C30 H34 N2 O5 -","- C60 H68 N4 O10 -","2","1","","Comins, Daniel L.; Williams, Alfred L.","Model Studies toward the Total Synthesis of theLycopodiumAlkaloid Spirolucidine","Organic Letters","2001","3","20","3217","","10.1021/ol016556o","","","0.71073","MolybdenumKα","","0.04","0.039","","0.049","","0.049","","","","","","1.85","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507532","7.7074","0.0015","9.146","0.002","11.804","0.002","87.94","0.03","86.55","0.03","71.33","0.03","786.7","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H18 N2 O2 -","- C18 H18 N2 O2 -","- C36 H36 N4 O4 -","2","1","","Papaefstathiou, Giannis S.; MacGillivray, Leonard R.","Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol","Organic Letters","2001","3","24","3835","","10.1021/ol0165948","","","0.7107","MoKα","","0.0652","0.0456","","0.1349","0.1166","","","","1.054","1.102","1.102","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507533","9.512","0.002","10.731","0.002","16.012","0.004","90","","99.919","0.011","90","","1610","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H17 Cl N2 O2 -","- C18 H17 Cl N2 O2 -","- C72 H68 Cl4 N8 O8 -","4","1","","Papaefstathiou, Giannis S.; MacGillivray, Leonard R.","Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol","Organic Letters","2001","3","24","3835","","10.1021/ol0165948","","","0.7107","MoKα","","0.0769","0.0596","","0.1539","0.1413","","","","1.109","1.155","1.155","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507534","9.254","0.002","11.684","0.002","15.949","0.003","90","","97.13","0.03","90","","1711.1","0.6","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H32 Cl4 N4 O4 -","- C36 H32 Cl4 N4 O4 -","- C72 H64 Cl8 N8 O8 -","2","0.5","","Papaefstathiou, Giannis S.; MacGillivray, Leonard R.","Discrete versus Infinite Molecular Self-Assembly: Control in Crystalline Hydrogen-Bonded Assemblies Based on Resorcinol","Organic Letters","2001","3","24","3835","","10.1021/ol0165948","","","0.7107","MoKα","","0.0403","0.0365","","0.096","0.0925","","","","1.046","1.065","1.065","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507535","6.5976","0.0002","28.7405","0.0009","13.254","0.0004","90","","99.7669","0.0012","90","","2476.78","0.13","112","2","112","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H28 Cr O5 Si -","- C26 H28 Cr O5 Si -","- C104 H112 Cr4 O20 Si4 -","4","1","","Moser, William H.; Sun, Liangdong; Huffman, John C.","Synthesis and Reactivity of Silyl Vinylketenes: A Formal Interrupted Dötz Benzannulation with Unexpected Silyl Migration","Organic Letters","2001","3","21","3389","","10.1021/ol016615y","","","0.71073","MoKα","","","0.0253","","","","0.0283","","","","","","0.9148","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1507536","43.138","0.013","9.07","0.002","8.544","0.002","90","","90","","90","","3342.9","1.5","123","2","123","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C17 H21 N O4 S -","- C17 H21 N O4 S -","- C136 H168 N8 O32 S8 -","8","1","","Bommezijn, Sacha; Martin, Concepcion Gonzalez; Kennedy, Alan R.; Lizos, Dimitrios; Murphy, John A.","1,4-Pentadienyl-3-sulfonamides: Frameworks for “Disfavored” Radical Cascade Cyclizations","Organic Letters","2001","3","21","3405","","10.1021/ol0166449","","","0.71069","MoKα","","0.139","0.078","","","0.221","0.2554","","","","","","1.102","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507537","4.752","0.0004","13.15","0.0004","15.353","0.0011","90","","90","","90","","959.39","0.11","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H6 O S3 -","- C10 H6 O S3 -","- C40 H24 O4 S12 -","4","1","","Grainger, Richard S.; Procopio, Alberto; Steed, Jonathan W.","A Novel Recyclable Sulfur Monoxide Transfer Reagent","Organic Letters","2001","3","22","3565","","10.1021/ol016678g","","","0.71073","MoKα","","0.0512","0.0402","","","0.089","0.0935","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507538","15.356","0.0006","18.983","0.0005","19.335","0.0008","87.445","0.002","78.993","0.002","66.908","0.002","5086.4","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H72 O Se -","- C62 H72 O Se -","- C248 H288 O4 Se4 -","4","2","","Goto, Kei; Nagahama, Michiko; Mizushima, Tadashi; Shimada, Keiichi; Kawashima, Takayuki; Okazaki, Renji","The First Direct Oxidative Conversion of a Selenol to a Stable Selenenic Acid: Experimental Demonstration of Three Processes Included in the Catalytic Cycle of Glutathione Peroxidase","Organic Letters","2001","3","22","3569","","10.1021/ol016682s","","","0.71069","MoKα","","0.0664","0.0545","","","0.1467","0.1552","","","","","","1.011","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507539","7.0591","0.0017","7.3739","0.0019","18.791","0.005","90","0.004","97.983","0.004","90","0.004","968.7","0.4","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C11 H10 O4 -","- C11 H10 O4 -","- C44 H40 O16 -","4","1","","Parker, Kathlyn A.; Mindt, Thomas L.","Electrocyclic Ring Closure of the Enols of Vinyl Quinones. A2H-Chromene Synthesis","Organic Letters","2001","3","24","3875","","10.1021/ol0167199","","","0.71073","MoKα","","0.0645","0.0488","","","0.1181","0.1261","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507540","13.5","","14.009","","25.886","","90","","94.64","","90","","4879.56","","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H36 N2 O2 -","- C26 H36 N2 O2 -","- C208 H288 N16 O16 -","8","2","","Clayden, Jonathan; Lund, Andrew; Youssef, Latifa H.","Conformational Preference and Remote (1,10) Stereocontrol in Biphenyl-2,2‘-dicarboxamides","Organic Letters","2001","3","26","4133","","10.1021/ol0167457","","","0.71069","MoKα","","0.0514","0.0405","","","0.1203","0.1287","","","","","","1.021","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507541","11.758","0.001","12.186","0.001","13.172","0.001","90","","91.495","0.01","90","","1886.7","0.3","173","1","173","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Grossman, Robert B.; Rasne, Ravindra M.","Short Total Syntheses of Both the Putative and Actual Structures of the Clerodane Diterpenoid (±)-Sacacarin by Double Annulation","Organic Letters","2001","3","25","4027","","10.1021/ol016748j","","","0.71073","MoKα","","0.0641","0.0426","","","0.0929","0.1004","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507542","7.636","0.001","11.124","0.002","14.903","0.003","71.179","0.01","79.323","0.01","78.471","0.01","1164","0.4","150","","150","","","","","","","","see text","4","P -1","-P 1","2","","6'-hydroxy-4',4,6-trimethylpyrimidin-2,2'-ylamine","","- C11 H13 N5 O -","- C11 H13 N5 O -","- C44 H52 N20 O4 -","4","2","","Söntjens, Serge H. M; Meijer, Joris T.; Kooijman, Huub; Spek, Anthony L.; van Genderen, Marcel H. P.; Sijbesma, Rint P.; Meijer, E. W.","A Multiple Hydrogen-Bond Scaffold Based on Dipyrimidin-2-ylamine","Organic Letters","2001","3","24","3887","","10.1021/ol016750a","","","0.71073","MoKa","","0.0805","0.0459","","","0.1066","0.12","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507543","14.8775","0.001","8.8583","0.0005","11.1192","0.0007","90","","111.004","0.003","90","","1368.02","0.15","120","2","120","2","","","","","","","synthetic","5","C 1 2/c 1","-C 2yc","15","","","","- C12 H14 N2 O6 S -","- C12 H14 N2 O6 S -","- C48 H56 N8 O24 S4 -","4","0.5","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","1.5418","CuKα","","0.1165","0.1151","","","0.2905","0.2944","","","","","","1.447","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507544","8.3003","0.0005","13.8825","0.0008","11.6167","0.0007","90","","97.16","0.003","90","","1328.14","0.14","118","2","118","2","","","","","","","synthetic","5","P 1 21 1","P 2yb","4","","","","- C25 H45 N3 O4 S -","- C25 H45 N3 O4 S -","- C50 H90 N6 O8 S2 -","2","1","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","1.5418","CuKα","","0.0518","0.0508","","","0.1301","0.1311","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507545","14.1","0.006","11.223","0.005","11.773","0.005","90","","93.343","0.008","90","","1859.8","1.4","296","2","296","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H22 N2 O6 S -","- C16 H22 N2 O6 S -","- C64 H88 N8 O24 S4 -","4","1","","Hof, Fraser; Iovine, Peter M.; Johnson, Darren W.; Rebek, Julius","Highly Selective Synthesis of Heterosubstituted Aromatic Sulfamides","Organic Letters","2001","3","26","4247","","10.1021/ol0169731","","","0.71073","MoKα","","0.0636","0.0594","","","0.1696","0.1761","","","","","","1.06","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1556100","10.016","0.003","11.499","0.003","17.53","0.004","95.938","0.005","100.417","0.006","108.57","0.003","1854","0.9","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H20 O2 S -","- C13 H20 O2 S -","- C78 H120 O12 S6 -","6","3","","Dawid, M.; Mlostoñ, G; Warkentin, J.","The first 2,2-dialkoxythiirane.","Organic letters","2001","3","16","2455","2456","10.1021/ol016108g","","","0.71073","MoKα","","0.0524","0.0404","","","0.1039","0.1113","","","","","","1.026","","","","has coordinates","243464","2020-10-21","18:00:00",""