# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T04:42:11+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Organic Letters') AND volume = 4 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
"1507424","25.074","0.0014","6.482","0.0004","19.246","0.0011","90","","124.441","0.003","90","","2579.7","0.3","173","2","173","1","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C34 H30 -","- C34 H30 -","- C136 H120 -","4","0.5","","Anthony, John E.; Eaton, David L.; Parkin, Sean R.","A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives","Organic Letters","2002","4","1","15","","10.1021/ol0167356","","","0.71073","MoKα","","0.0965","0.0606","","","0.1191","0.1323","","","","","","1.085","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507425","5.833","0.0012","10.146","0.002","11.642","0.002","76.25","0.03","76.93","0.03","84.99","0.03","651.5","0.2","145","1","145","1","","","","","","","","3","P -1","-P 1","2","","","","- C32 H30 Si2 -","- C32 H30 Si2 -","- C32 H30 Si2 -","1","0.5","","Anthony, John E.; Eaton, David L.; Parkin, Sean R.","A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives","Organic Letters","2002","4","1","15","","10.1021/ol0167356","","","0.71073","MoKα","","0.0587","0.0471","","","0.0981","0.1019","","","","","","1.128","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507426","7.819","0.0016","13.569","0.003","16.508","0.003","70","0.03","85.08","0.03","74.12","0.03","1582.9","0.7","173","1","173","1","","","","","","","","3","P -1","-P 1","2","","","","- C38 H42 Si2 -","- C38 H42 Si2 -","- C76 H84 Si4 -","2","1","","Anthony, John E.; Eaton, David L.; Parkin, Sean R.","A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives","Organic Letters","2002","4","1","15","","10.1021/ol0167356","","","0.71073","MoKα","","0.1135","0.0664","","","0.139","0.1548","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507427","30.511","0.002","7.387","0.0005","32.106","0.002","90","","118.186","0.0019","90","","6378.1","0.7","173","2","173","1","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C38 H42 Si2 -","- C38 H42 Si2 -","- C304 H336 Si16 -","8","1","","Anthony, John E.; Eaton, David L.; Parkin, Sean R.","A Road Map to Stable, Soluble, Easily Crystallized Pentacene Derivatives","Organic Letters","2002","4","1","15","","10.1021/ol0167356","","","0.71073","MoKα","","0.1064","0.0628","","","0.1233","0.1401","","","","","","1.05","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507428","11.2604","0.0001","15.5456","0.0002","12.5778","0.0002","90","","113.165","0.001","90","","2024.23","0.05","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H9 F12 O5 P -","- C18 H9 F12 O5 P -","- C72 H36 F48 O20 P4 -","4","1","","Hanes, Robert E.; Lynch, Vincent M.; Anslyn, Eric V.; Dalby, Kevin N.","Toward a Stable Hydroxyphosphorane","Organic Letters","2002","4","2","201","","10.1021/ol016941d","","","0.71073","MoKα","","0.0371","0.0314","","","0.0761","0.0792","","","","","","1.066","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507429","4.5764","0.0001","13.449","0.0003","10.3777","0.0001","90","","95.939","0.001","90","","635.3","0.02","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 Se4 -","- C10 H12 Se4 -","- C20 H24 Se8 -","2","0.5","","Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf","Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures","Organic Letters","2002","4","3","339","","10.1021/ol016953z","","","0.71073","MoKα","","0.0258","0.0209","","","0.0512","0.053","","","","","","1.113","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507430","4.637","","17.2194","0.0003","10.3998","0.0002","90","","91.907","0.001","90","","829.93","0.02","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 Se4 -","- C14 H20 Se4 -","- C28 H40 Se8 -","2","0.5","","Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf","Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures","Organic Letters","2002","4","3","339","","10.1021/ol016953z","","","0.71073","MoKα","","0.0481","0.0383","","","0.1003","0.1058","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507431","5.2225","0.0002","10.3139","0.0004","14.2995","0.0005","90","","99.951","0.001","90","","758.65","0.05","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C12 H20 S4 -","- C12 H20 S4 -","- C24 H40 S8 -","2","0.5","","Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf","Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures","Organic Letters","2002","4","3","339","","10.1021/ol016953z","","","0.71073","MoKα","","0.0335","0.0273","","","0.0671","0.07","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507432","9.8648","0.0003","5.2409","0.0002","18.8504","0.0006","90","","100.833","0.001","90","","957.21","0.06","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 S4 -","- C16 H28 S4 -","- C32 H56 S8 -","2","0.5","","Werz, Daniel B.; Staeb, Tobias H.; Benisch, Christoph; Rausch, Bernhard J.; Rominger, Frank; Gleiter, Rolf","Self-Organization of Chalcogen-Containing Cyclic Alkynes and Alkenes To Yield Columnar Structures","Organic Letters","2002","4","3","339","","10.1021/ol016953z","","","0.71073","MoKα","","0.0393","0.0288","","","0.0728","0.0773","","","","","","1.082","","","","has coordinates","264591","2021-04-27","11:33:08",""
"1507433","8.187","0.002","9.357","0.003","10.88","0.003","109.46","0.02","100.41","0.02","106.86","0.02","715.7","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 N O3 S -","- C16 H14 N O3 S -","- C32 H28 N2 O6 S2 -","2","1","","Lee, Dong Joon; Kim, Kyongtae; Park, Yung Ja","Novel Synthesis of 5,6-Dihydro-4H-thieno[3,2-b]pyrrol-5-ones via the Rhodium(II)-Mediated Wolff Rearrangement of 3-(Thieno-2-yl)-3-oxo-2-diazopropanoates","Organic Letters","2002","4","6","873","","10.1021/ol016995n","","","0.7107","MoKα","","0.0894","0.0465","","","0.1145","0.1319","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507434","7.639","0.004","9.002","0.004","14.719","0.003","90","","91.3","0.02","90","","1011.9","0.7","296.2","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H27 N O4 -","- C22 H26 N O4 -","- C44 H52 N2 O8 -","2","1","","Hirose, Tomoyasu; Sunazuka, Toshiaki; Shirahata, Tatsuya; Yamamoto, Daisuke; Harigaya, Yoshihiro; Kuwajima, Isao; Ōmura, Satoshi","Short Total Synthesis of (+)-Madindolines A and B","Organic Letters","2002","4","4","501","","10.1021/ol017058i","","","1.5418","CuKα","","","0.0981","","","","0.1207","","","","","","4.573","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507435","8.4503","0.0004","8.5384","0.0005","15.8256","0.0008","93.928","0.001","94.197","0.001","106.882","0.001","1084.88","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C50 H66 N4 O2 -","- C50 H66 N4 O2 -","- C50 H66 N4 O2 -","1","0.5","","Wong, Ken-Tsung; Hung, Tsung Shi; Lin, Yuting; Wu, Chung-Chih; Lee, Gene-Hsiang; Peng, Shie-Ming; Chou, Chung Hsien; Su, Yuhlong Oliver","Suzuki Coupling Approach for the Synthesis of Phenylene−Pyrimidine Alternating Oligomers for Blue Light-Emitting Material","Organic Letters","2002","4","4","513","","10.1021/ol017066z","","","0.71073","MoKα","","0.0669","0.0445","","0.1336","0.1169","","","","1.064","1.148","1.148","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507436","10.83","0.05","10.22","0.02","15.06","0.06","90","","90.32","0.015","90","","1667","11","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C21 H22 O2 -","- C21 H22 O2 -","- C84 H88 O8 -","4","1","","Clayden, Jonathan; Kenworthy, Martin N.","Dearomatizing Annelation of Five-Membered Rings to Naphthalenes by Organolithium Cyclization","Organic Letters","2002","4","5","787","","10.1021/ol0172626","","","0.71069","MoKα","","0.0677","0.0434","","","0.1143","0.1272","","","","","","1.051","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507437","14.6699","0.0005","7.7774","0.0003","21.9785","0.0008","90","","107.13","0.003","90","","2396.37","0.16","110","2","110","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C45 H72 I N O7 Si2 -","- C45 H72 I N O7 Si2 -","- C90 H144 I2 N2 O14 Si4 -","2","1","","Hale, Karl J.; Dimopoulos, Paschalis; Cheung, Maxine L. F.; Frigerio, Mark; Steed, Jonathan W.; Levett, Philip C.","A Biosynthetic Proposal for Ring Formation in the Antitumor Agent Halichomycin. Asymmetric Synthesis of the AB-Carbon Backbone of Halichomycin","Organic Letters","2002","4","6","897","900","10.1021/ol017266a","","","0.71073","MoKα","","0.1218","0.0921","","","0.1143","0.1227","","","","","","1.154","","","","has coordinates","218670","2020-10-21","18:00:00",""
"1507438","32.068","0.008","6.4068","0.0012","17.829","0.003","90","","97.466","0.015","90","","3632","1.3","570","2","570","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C19 H26 O5 -","- C19 H26 O5 -","- C152 H208 O40 -","8","1","","Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou","Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems","Organic Letters","2002","4","4","663","","10.1021/ol017304q","","","0.71073","MoKα","","0.1512","0.1206","","0.2177","0.2035","","","","1.052","1.236","1.236","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507439","7.905","0.002","8.227","0.002","13.861","0.003","99.55","0.02","105.59","0.02","95.6","0.02","846.6","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H23 N O2 -","- C20 H23 N O2 -","- C40 H46 N2 O4 -","2","1","","Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou","Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems","Organic Letters","2002","4","4","663","","10.1021/ol017304q","","","0.71073","MoKα","","0.1739","0.0787","","0.3827","0.0924","","","","1.509","2.015","2.015","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507440","8.693","0.003","7.304","0.001","18.231","0.005","90","","102.64","0.03","90","","1129.5","0.5","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 O2 -","- C14 H14 O2 -","- C56 H56 O8 -","4","1","","Hong, Bor-Cherng; Shr, Yeong-Jou; Liao, Ju-Hsiou","Unprecedented Microwave Effects on the Cycloaddition of Fulvenes. A New Approach to the Construction of Polycyclic Ring Systems","Organic Letters","2002","4","4","663","","10.1021/ol017304q","","","0.71073","MoKα","","0.0706","0.0478","","","0.1204","0.1356","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507441","9.76","0.001","9.994","0.001","12.081","0.002","90","","107.99","0.01","90","","1120.8","0.3","293","2","293","2","","","","","","","","6","P 1 c 1","P -2yc","7","","","","- C24 H21 N2 O3 P S -","- C24 H21 N2 O3 P S -","- C48 H42 N4 O6 P2 S2 -","2","1","","Moss, Robert A.; Gong, Paul K.; Morales-Rojas, Hugo","Stereochemical Study of Phosphonothioate Cleavage by a Metallomicelle","Organic Letters","2002","4","11","1835","","10.1021/ol0200394","","","1.5418","CuKα","","0.0695","0.04","","","0.0903","0.0979","","","","","","1.003","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507442","10.9333","0.0005","15.1525","0.0006","11.1724","0.0005","90","","114.297","0.001","90","","1686.95","0.13","296.2","","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H14 N2 O2 S4 -","- C14 H14 N2 O2 S4 -","- C56 H56 N8 O8 S16 -","4","1","","Morita, Yasushi; Maki, Suguru; Ohmoto, Makoto; Kitagawa, Hiroshi; Okubo, Takashi; Mitani, Tadaoki; Nakasuji, Kazuhiro","Hydrogen-Bonded Charge-Transfer Complexes of TTF Containing a Uracil Moiety: Crystal Structures and Electronic Properties of the Hydrogen Cyananilate and TCNQ Complexes","Organic Letters","2002","4","13","2185","","10.1021/ol020081z","","","0.7107","MoKα","","","0.0455","","","","0.0473","","","","","","1.578","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507443","11.1052","0.0007","13.194","0.001","9.958","0.001","106.198","0.002","91.656","0.006","108.415","0.004","1318.39","0.19","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H18 N5 O6 S4 -","- C24 H18 N5 O6 S4 -","- C48 H36 N10 O12 S8 -","2","1","","Morita, Yasushi; Maki, Suguru; Ohmoto, Makoto; Kitagawa, Hiroshi; Okubo, Takashi; Mitani, Tadaoki; Nakasuji, Kazuhiro","Hydrogen-Bonded Charge-Transfer Complexes of TTF Containing a Uracil Moiety: Crystal Structures and Electronic Properties of the Hydrogen Cyananilate and TCNQ Complexes","Organic Letters","2002","4","13","2185","","10.1021/ol020081z","","","0.7107","MoKα","","","0.054","","","","0.0927","","","","","","1.36","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507444","17.185","0.004","7.408","0.0012","10.45","0.009","90","","102.4","0.03","90","","1299.3","1.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H44 N0 O5 -","- C28 H44 O5 -","- C56 H88 O10 -","2","1","","Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto","A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins","Organic Letters","2002","4","8","1295","","10.1021/ol025580e","","","1.5418","CuKα","","0.092","0.079","","","0.1975","0.1997","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507445","12.57","0.002","5.901","0.001","16.872","0.003","90","","90.64","0.1","90","","1251.4","0.4","110","2","110","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H30 N0 O5 -","- C28 H46 O5 -","- C56 H92 O10 -","2","1","","Betancor, Carmen; Freire, Raimundo; Pérez-Martín, Inés; Prangé, Thierry; Suárez, Ernesto","A Convenient Synthesis of C-22 and C-25 Stereoisomers of Cephalostatin North 1 Side Chain from Spirostan Sapogenins","Organic Letters","2002","4","8","1295","","10.1021/ol025580e","","","0.947","Synchrotron","","0.0455","0.0451","","","0.105","0.105","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507446","16.2206","0.0007","22.134","0.001","11.6664","0.0004","90","","90","","90","","4188.5","0.3","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H27 I O5 -","- C40 H52 I2 O10 -","- C160 H208 I8 O40 -","4","2","","Usuda, Hiroyuki; Kanai, Motomu; Shibasaki, Masakatsu","Studies toward the Total Synthesis of Garsubellin A: A Concise Synthesis of the 18-epi-Tricyclic Core","Organic Letters","2002","4","5","859","","10.1021/ol0255965","","","0.7107","MoKα","","","0.0494","","","","0.1332","","","","","","1.007","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507447","31.382","0.009","14.509","0.005","19.533","0.006","90","","101.269","0.006","90","","8722","5","173","2","173","2","","","","","","","Doug Spencer","4","C 1 2/c 1","-C 2yc","15","01059","CalixPyBz","","- C100 H112 N8 O8 -","- C100 H112 N8 O8 -","- C400 H448 N32 O32 -","4","0.5","","Spencer, Douglas J. E.; Johnson, Bryan J.; Johnson, Brian J.; Tolman, William B.","Calix[4]arenes Linked to Multiple Bidentate N-Donors: Potential Ligands for Synthetic Modeling of Multinuclear Metalloenzymes","Organic Letters","2002","4","8","1391","","10.1021/ol025715g","","","0.71073","MoKα","","0.0814","0.0572","","","0.1517","0.174","","","","","","1.029","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507448","22.191","0.009","15.293","0.007","22.856","0.011","90","","106.303","0.008","90","","7445","6","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","resorcinarene","","","- C80 H64 N4 O22 -","- C80 H64 N4 O22 -","- C320 H256 N16 O88 -","4","1","","Shivanyuk, Alexander; Far, Adel Rafai; Rebek, Julius","Rigid Tetranitroresorcinarenes","Organic Letters","2002","4","9","1555","","10.1021/ol025725h","","","0.71073","MoKα","","0.3773","0.1066","","","0.2713","0.4151","","","","","","0.86","","","","has coordinates,has disorder","201369","2020-10-21","18:00:00",""
"1507449","7.9615","0.0002","9.9599","0.0002","38.3334","0.001","90","","90","","90","","3039.68","0.13","150","1","150","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 N2 O3 S -","- C16 H14 N2 O3 S -","- C128 H112 N16 O24 S8 -","8","2","","Siu, Tung; Yudin, Andrei K.","Electrochemical Imination of Sulfoxides Using N-Aminophthalimide","Organic Letters","2002","4","11","1839","","10.1021/ol0257530","","","0.71073","MoKα","","0.0614","0.0418","","","0.0862","0.0936","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507450","12.229","0.007","12.229","0.007","15.675","0.009","90","","90","","90","","2344","2","243","2","293","2","","","","","","","","5","P 41","P 4w","76","","((1R,3Z)-4,4,4-trifluoro-3-{[(2R)-2-(mthoxymethyl)pyrrolidin-1-yl]imino}-1- phenylbutyl)malonic acid dimethyl ester","","- C21 H27 F3 N2 O5 -","- C21 H27 F3 N2 O5 -","- C84 H108 F12 N8 O20 -","4","1","","Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto","Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization","Organic Letters","2002","4","9","1571","","10.1021/ol025792b","","","0.71073","MoKα","","0.0904","0.0546","","","0.1329","0.1543","","","","","","0.893","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507451","5.9581","0.0011","13.713","0.003","15.466","0.003","90","","90","","90","","1263.6","0.4","243","2","243","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","(7R,8aR)-7-phenyl-8a-(trifluoromethyl)hexahydroindolizin-5(1H)-one","","- C12 H18 F3 N O -","- C12 H18 F3 N O -","- C48 H72 F12 N4 O4 -","4","1","","Okano, Takashi; Fumoto, Masataka; Kusukawa, Takahiro; Fujita, Makoto","Synthesis of Optically Active Trifluoromethylated Indolizidine Derivatives via Stereoselective Radical Cyclization","Organic Letters","2002","4","9","1571","","10.1021/ol025792b","","","0.71073","MoKα","","0.1136","0.0421","","","0.1005","0.1332","","","","","","0.597","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507452","8.958","0.002","6.548","0.003","11.546","0.002","90","","107.92","0.02","90","","644.4","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Bromo Himbacine derivative","(3S,3aR,8aR,9aR)-1,3,3a,5,6,7,8,8a,9,9a-decahydro-4-bromo-3- methylnaphto{2,3-c}furan-1(3H)-one","","- C13 H17 Br O2 -","- C13 H17 Br O2 -","- C26 H34 Br2 O4 -","2","1","","Van Cauwenberge, Gunther; Gao, Ling-Jie; Van Haver, Dirk; Milanesio, Marco; Viterbo, Davide; De Clercq, Pierre J.","A Novel Short Convergent Entry into Himbacine Derivatives","Organic Letters","2002","4","9","1579","","10.1021/ol025801g","","","0.71069","MoKα","","0.1402","0.1069","","","0.2418","0.2724","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507453","7.5807","0.001","15.193","0.002","11.4579","0.0014","90","","95.296","0.003","90","","1314","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C30 H32 N O2 P -","- C30 H32 N O2 P -","- C60 H64 N2 O4 P2 -","2","1","","Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D.","A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation†","Organic Letters","2002","4","9","1615","","10.1021/ol0258233","","","0.71073","MoKα","","0.0775","0.0491","","","0.0855","0.0955","","","","","","1.007","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507454","14.0092","0.0008","11.9178","0.0007","16.5822","0.001","90","","114.921","0.001","90","","2510.8","0.3","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C29 H30 N O2 P -","- C29 H30 N O2 P -","- C116 H120 N4 O8 P4 -","4","2","","Dai, Wei-Min; Yeung, Kelly Ka Yim; Liu, Jin-Teng; Zhang, Ye; Williams, Ian D.","A Novel Class of Nonbiaryl Atropisomeric P,O-Ligands for Palladium-Catalyzed Asymmetric Allylic Alkylation†","Organic Letters","2002","4","9","1615","","10.1021/ol0258233","","","0.71073","MoKα","","0.0479","0.0415","","","0.1012","0.1057","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507455","9.322","0.002","9.454","0.002","27.584","0.004","90","","90","","90","","2431","0.8","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H38 O7 -","- C22 H38 O7 -","- C88 H152 O28 -","4","1","","Salomon, Christine E.; Williams, David H.; Lobkovsky, Emil; Clardy, Jon C.; Faulkner, D. John","Relative and Absolute Stereochemistry of the Didemnaketals, Metabolites of a Palauan Ascidian,Didemnumsp.","Organic Letters","2002","4","10","1699","","10.1021/ol025904z","","","1.54178","CuKα","","0.0742","0.054","","0.1493","0.1332","","","","1.042","1.082","1.082","","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507456","11.1473","0.0009","12.954","0.001","22.317","0.002","97.649","0.001","99.83","0.002","95.559","0.002","3123.4","0.4","120","","120","","","","","","","","","5","P -1","-P 1","2","","3,4-Dimethyl-6-(N,N-diphenyl)-6-(trimethylsilyl)-1-(trimethylsiloxy) -1-(trimethylsilyl)-1-silacyclohex-3-ene","","- C28 H41 N O Si4 -","- C28 H47 N O Si4 -","- C112 H188 N4 O4 Si16 -","4","2","","El-Sayed, Ibrahim; Guliashvili, Tamaz; Hazell, Rita; Gogoll, Adolf; Ottosson, Henrik","Evidence for Formation of Silenes Strongly Influenced by Reversed SiC Bond Polarity","Organic Letters","2002","4","11","1915","","10.1021/ol025920w","","","0.71073","MoKα","","","0.057","","","","0.066","","","","","","2.52","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507457","15.468","0.003","3.8318","0.0007","25.454","0.005","90","","101.002","0.004","90","","1480.9","0.5","220","2","220","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","angular [4]phenylene","","- C24 H12 -","- C24 H12 -","- C96 H48 -","4","1","","Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J.","Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion","Organic Letters","2002","4","12","2075","","10.1021/ol025956o","","","0.688","synchrotron","","0.0893","0.055","","","0.1279","0.1426","","","","","","0.972","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507458","7.0791","0.0007","13.176","0.001","15.734","0.002","111.494","0.002","95.57","0.002","100.867","0.002","1318.7","0.2","149.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C37.5 H31 Co -","- C37.5 H27 Co -","- C75 H54 Co2 -","2","1","","Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J.","Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion","Organic Letters","2002","4","12","2075","","10.1021/ol025956o","","","0.7107","MoKα","","","0.0532","","","","0.0649","","","","","","1.593","","","","has coordinates","192297","2020-10-21","18:00:00",""
"1507459","14.4895","0.0008","9.0045","0.0005","40.411","0.002","90","","96.501","0.001","90","","5238.5","0.5","138.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C36 H31 Co O0.5 -","- C36 H31 Co O0.5 -","- C288 H248 Co8 O4 -","8","1","","Dosa, Peter I.; Whitener, Glenn D.; Vollhardt, K. Peter C.; Bond, Andrew D.; Teat, Simon J.","Cobalt-Mediated Synthesis of Angular [4]Phenylene: Structural Characterization of a Metallacyclopentadiene(Alkyne) Intermediate and Its Thermal and Photochemical Conversion","Organic Letters","2002","4","12","2075","","10.1021/ol025956o","","","0.7107","MoKα","","","0.0394","","","","0.0396","","","","","","1.316","","","","has coordinates","192298","2020-10-21","18:00:00",""
"1507460","11.468","0.005","12.686","0.004","20.298","0.004","90","","90","","90","","2953","1.7","223","2","223","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H40 Br N3 O6 -","- C27 H39 Br N3 O6 -","- C108 H156 Br4 N12 O24 -","4","1","","Gralla, Gabriele; Wibbeling, Birgit; Hoppe, Dieter","Synthesis of an Ethynyl Carbamate and Application for Enantioselective Cyclocarbolithiation","Organic Letters","2002","4","13","2193","","10.1021/ol0260674","","","1.54178","CuKα","","0.234","0.0676","","","0.1269","0.1818","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507461","12.36","0.004","13.93","0.01","10.496","0.008","90","","90","","90","","1807","2","298","1","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H18 Cl3 N O2 -","- C19 H18 Cl3 N O2 -","- C76 H72 Cl12 N4 O8 -","4","1","","Mita, Tsuyoshi; Ohtsuki, Natsuki; Ikeno, Taketo; Yamada, Tohru","Enantioselective 1,3-Dipolar Cycloaddition of Nitrones Catalyzed by Optically Active Cationic Cobalt(III) Complexes","Organic Letters","2002","4","15","2457","","10.1021/ol026079p","","","0.71073","MoKα","","","0.032","","","","0.085","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507462","13.2705","0.0006","12.1408","0.0005","15.91","0.001","90","","97.531","0.002","90","","2541.2","0.2","103.1","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H30 Cl4 Ir N O -","- C25 H30 Cl4 Ir N O -","- C100 H120 Cl16 Ir4 N4 O4 -","4","1","","Suzuki, Takeyuki; Morita, Kenji; Tsuchida, Mika; Hiroi, Kunio","Mild and Chemoselective Synthesis of Lactones from Diols Using a Novel Metal−Ligand Bifunctional Catalyst","Organic Letters","2002","4","14","2361","","10.1021/ol026091h","","","0.7107","MoKα","","","0.029","","","","0.084","","","","","","1.019","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507463","13.6525","0.0016","8.1225","0.0009","8.4007","0.001","90","","97.529","0.002","90","","923.54","0.19","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H9 N O2 -","- C11 H9 N O2 -","- C44 H36 N4 O8 -","4","1","","Hong, Bor-Cherng; Shr, Yeong-Jou; Wu, Jian-Lin; Gupta, Arun Kumar; Lin, Kuan-Jiuh","Novel [6 + 2] Cycloaddition of Fulvenes with Alkenes: A Facile Synthesis of the Anislactone and Hirsutane Framework","Organic Letters","2002","4","13","2249","","10.1021/ol026103z","","","0.71073","MoKα","","0.0718","0.0661","","","0.2174","0.2251","","","","","","1.658","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507464","10.9686","0.0009","5.7792","0.0005","16.9883","0.0014","90","","101.516","0.002","90","","1055.21","0.15","190","2","190","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C30 H22 -","- C30 H22 -","- C60 H44 -","2","0.5","","Brizius, Glen; Bunz, Uwe H. F.","Increased Activity of in Situ Catalysts for Alkyne Metathesis","Organic Letters","2002","4","17","2829","","10.1021/ol026118x","","","0.71073","MoKα","","0.0434","0.0372","","","0.0938","0.0973","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507465","11.355","0.003","11.344","0.002","18.115","0.005","89.578","0.009","78.647","0.005","82.3","0.01","2266.7","1","123.1","","","","","","","","","","","2","P -1","-P 1","2","","","","- C29 H38 -","- C30 H38 -","- C120 H152 -","4","2","","Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo","Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene","Organic Letters","2002","4","13","2261","","10.1021/ol026119p","","","0.7107","MoKα","","","0.098","","","","0.125","","","","","","1.316","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507466","12.237","0.0008","9.6067","0.0005","20.3737","0.0009","90","","93.534","0.003","90","","2390.5","0.2","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H38 N2 -","- C29 H38 N2 -","- C116 H152 N8 -","4","1","","Iikubo, Takashi; Hirai, Katsuyuki; Tomioka, Hideo","Generation, Direct Observation, and Kinetics of Triplet 9-(1,1,4,4,5,5,8,8- Octamethyl-1,2,3,4,5,6,7,8-octahydro- anthryl)phenylcarbene","Organic Letters","2002","4","13","2261","","10.1021/ol026119p","","","0.7107","MoKα","","","0.064","","","","0.084","","","","","","1.185","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507467","7.1993","0.0003","10.0365","0.0004","31.1705","0.0013","90","","90","","90","","2252.25","0.16","223","2","223","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H40 O2 -","- C26 H40 O2 -","- C104 H160 O8 -","4","1","","Loh, Teck-Peng; Hu, Qi-Ying; Ma, Li-Ting","Stereocontrolled Synthesis of Linear 22R-Homoallylic Sterols via a Triflic Acid-Catalyzed 2-Oxonia Cope Rearrangement","Organic Letters","2002","4","14","2389","","10.1021/ol026136e","","","0.71073","MoKα","","0.0421","0.0346","","","0.0746","0.0782","","","","","","1.058","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507468","12.621","0.004","22.358","0.004","23.335","0.007","90","","90","","90","","6585","3","173","2","173","1","","","","","","","","5","C 2 2 21","C 2c 2","20","","","","- C64 H89 Cl6 N5 O8 -","- C64 H89 Cl6 N5 O8 -","- C256 H356 Cl24 N20 O32 -","4","0.5","","Falábu, Dezsö; Shivanyuk, Alexander; Nissinen, Maija; Rissanen, Kari","Complexation of Small Molecules by Open-Ended Resorcarene Hosts","Organic Letters","2002","4","18","3019","","10.1021/ol026142a","","","0.71073","MoKα","","0.1247","0.0621","","","0.1565","0.1772","","","","","","1.052","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507469","11.678","0.006","9.253","0.005","24.678","0.013","90","","94.235","0.009","90","","2659","2","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 Co2 O11 Si -","- C20 H22 Co2 O11 Si -","- C80 H88 Co8 O44 Si4 -","4","1","","Skaggs, Aaron J.; Lin, Eleanor Y.; Jamison, Timothy F.","Cobalt Cluster-Containing Carbonyl Ylides for Catalytic, Three-Component Assembly of Oxygen Heterocycles","Organic Letters","2002","4","13","2277","","10.1021/ol026149s","","","0.71073","MoKα","","0.0698","0.0606","","","0.125","0.1287","","","","","","1.245","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507470","10.665","0.0005","11.095","0.0005","19.934","0.0009","83.635","0.015","78.07","0.015","65.68","0.02","2102.1","0.4","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H48 O6 -","- C52 H48 O6 -","- C104 H96 O12 -","2","1","","Barhate, Nivrutti B.; Chen, Chien-Tien","Catalytic Asymmetric Oxidative Couplings of 2-Naphthols by TridentateN-Ketopinidene-Based Vanadyl Dicarboxylates","Organic Letters","2002","4","15","2529","","10.1021/ol026156g","","","0.71073","MoKα","","0.1338","0.0944","","0.3007","0.2619","","","","1.07","1.188","1.188","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507471","8.43","0.0001","28.3483","0.0004","10.035","0.0002","90","","101.904","0.0009","90","","2346.56","0.06","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 F N O2 S Si -","- C20 H32 F N O2 S Si -","- C80 H128 F4 N4 O8 S4 Si4 -","4","1","","Lan, Yunfeng; Hammond, Gerald B.","Functionalization of Monofluoroallene and the Synthesis of Aryl-Substituted Conjugated Fluorodienes","Organic Letters","2002","4","14","2437","","10.1021/ol026196k","","","0.71073","MoKα","","0.0704","0.0454","","","0.1152","0.1273","","","","","","1.036","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507472","32.285","0.004","6.4839","0.0009","18.619","0.002","90","","117.533","0.002","90","","3456.1","0.7","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C18 H24 N4 O -","- C18 H24 N4 O -","- C144 H192 N32 O8 -","8","1","","Kelly, T. Ross; Cavero, Marta","Selective Monoacylation of a Diamine Using Intramolecular Delivery by a DMAP Unit","Organic Letters","2002","4","16","2653","","10.1021/ol026206h","","","0.71073","MoKα","","0.0955","0.0814","","","0.2219","0.2359","","","","","","1.047","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1507473","8.609","0.0003","5.81","0.0002","12.628","0.0005","90","0.01","105.779","0.002","90","0.01","607.83","0.04","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","1,2-diphenyl-2,3-epoxypropan-1-ol","","- C15 H14 O2 -","- C15 H13 O2 -","- C30 H26 O4 -","2","1","","Capriati, Vito; Florio, Saverio; Luisi, Renzo; Salomone, Antonio","Oxiranyl Anion-Mediated Synthesis of Highly Enantiomerically Enriched Styrene Oxide Derivatives","Organic Letters","2002","4","14","2445","","10.1021/ol026212d","","","0.71073","MoKα","","0.0723","0.0662","","","0.1602","0.1727","","","","","","1.235","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507474","19.81","0.003","15.45","0.002","28.723","0.004","90","","101.23","0.005","90","","8623","2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C134 H28 Cl12 O6 P2 -","- C134 H28 Cl12 O6 P2 -","- C536 H112 Cl48 O24 P8 -","4","1","","Cheng, Fuyong; Murata, Yasujiro; Komatsu, Koichi","Synthesis, X-ray Structure, and Properties of the Singly Bonded C60Dimer Having Diethoxyphosphorylmethyl Groups Utilizing the Chemistry of C602-","Organic Letters","2002","4","15","2541","","10.1021/ol026281s","","","0.71073","MoKα","","0.1344","0.0988","","","0.2564","0.2822","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507475","8.9674","0.0001","20.8342","0.0002","23.2481","0.0003","90","","90","","90","","4343.41","0.09","123.1","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C58 H42 N2 O4 -","- C58 H42 N2 O4 -","- C232 H168 N8 O16 -","4","1","","Shimada, Toyoshi; Kina, Asato; Ikeda, Syushiro; Hayashi, Tamio","A Novel Axially Chiral 2,2‘-BipyridineN,N‘-Dioxide. Its Preparation and Use for Asymmetric Allylation of Aldehydes with Allyl(trichloro)silane as a Highly Efficient Catalyst","Organic Letters","2002","4","16","2799","","10.1021/ol026376u","","","0.7107","MoKα","","","0.072","","","","0.044","","","","","","1.129","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507476","10.218","0.002","11.247","0.003","8.086","0.002","98.16","0.02","101.84","0.02","84.16","0.02","897.7","0.4","295","","295","","","","","","","","synthetic","6","P -1","-P 1","2","gouseiyamada","","","- C18 H20 Cl N O3 S -","- C18 H20 Cl N O3 S -","- C36 H40 Cl2 N2 O6 S2 -","2","1","","Yamada, Ken-ichi; Fujihara, Hidetaka; Yamamoto, Yasutomo; Miwa, Yoshihisa; Taga, Tooru; Tomioka, Kiyoshi","Radical Addition of Ethers to Imines Initiated by Dimethylzinc","Organic Letters","2002","4","20","3509","","10.1021/ol0266572","","","1.54051","CU","","","0.051","","","0.063","","","","","1.02","1.02","","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507477","8.1438","0.0011","11.5962","0.0016","18.591","0.003","90","","95.066","0.002","90","","1748.8","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","01194","","","- C24 H16 O3 -","- C24 H16 O3 -","- C96 H64 O12 -","4","1","","Liu, Jin; Brooks, Neil R.","Stereoselective Stobbe Condensation of Ethyl Methyl Diphenylmethylenesuccinate with Aromatic Aldehydes","Organic Letters","2002","4","20","3521","","10.1021/ol026668v","","","0.71073","MoKα","","0.0418","0.0367","","","0.0968","0.1028","","","","","","1.027","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507478","12.314","0.009","5.395","0.004","23.491","0.009","90","","99.5","0.05","90","","1539.2","1.7","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H21 N O3 S -","- C15 H21 N O3 S -","- C60 H84 N4 O12 S4 -","4","1","","Williams, Jodi T.; Bahia, Perdip Singh; Snaith, John S.","Synthesis of 3,4-Disubstituted Piperidines by Carbonyl Ene and Prins Cyclizations: A Switch in Diastereoselectivity between Lewis and Brønsted Acid Catalysts","Organic Letters","2002","4","21","3727","","10.1021/ol0266929","","","0.71069","MoKα","","0.0922","0.0666","","0.2162","0.1722","","","","1.006","1.062","1.062","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507479","17.1716","0.0013","6.2714","0.0007","19.602","0.003","90","","90.762","0.01","90","","2110.8","0.4","299","2","299","2","","","","","","","see text","4","P 1 21 1","P 2yb","4","UCS1025A monohydrate","(2aR,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-hydroxymethylene}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione monohydrate","","- C20 H27 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","2","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.1509","0.1177","","0.3221","0.2792","","","","1.088","1.187","1.187","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507480","6.7036","0.0004","15.5557","0.0007","22.4024","0.0013","90","","90","","90","","2336.1","0.2","298","2","298","2","","","","","","","slow evaporation of DMF solution of 2; see text","4","P 21 21 21","P 2ac 2ab","19","UCS1025B N,N-dimrthylformamide solvate","(2aR,7R,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7,7b-dihydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione N,N-dimethylformamide solvate","","- C23 H32 N2 O7 -","- C23 H32 N2 O7 -","- C92 H128 N8 O28 -","4","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0629","0.0493","","0.1305","0.1191","","","","1.039","1.065","1.065","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507481","6.7479","0.0003","13.9428","0.0007","22.927","0.0009","90","","90","","90","","2157.08","0.17","294","2","294","2","","","","","","","slow evaporation of acetonitrile solution of 2; see text","4","P 21 21 21","P 2ac 2ab","19","UCS1025B acetonitrile solvate","(2aR,7R,7aS,7bR)-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7,7b-dihydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione acetonitrile solvate","","- C22 H28 N2 O6 -","- C22 H28 N2 O6 -","- C88 H112 N8 O24 -","4","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0526","0.0498","","0.1448","0.1411","","","","1.075","1.089","1.089","","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1507482","8.1266","0.0018","6.78","0.0006","17.9128","0.0015","90","","97.228","0.009","90","","979.1","0.2","298","2","298","2","","","","","","","slow evaporation of DMF solution of 5; see text","5","P 1 21 1","P 2yb","4","","(2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione","","- C20 H24 Br N O5 -","- C20 H24 Br N O5 -","- C40 H48 Br2 N2 O10 -","2","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0621","0.044","","0.1108","0.095","","","","1.056","1.016","1.016","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507483","6.723","0.0003","9.4873","0.0002","31.0788","0.0012","90","","90","","90","","1982.3","0.12","295","2","295","2","","","","","","","slow evaporation of DMSO solution of 5; see text","5","P 21 21 21","P 2ac 2ab","19","","(2aR,7S,7aS,7bR)-7-bromo-7-{[(4aS,5S,6S,8aR)-1,2,3,4,4a,5,6,8a-Octahydro- 6-methylnaphthalene-5-yl]-oxomethyl}-2,2a,3,4,6,7,7a,7b-octahydro- 7b-hydroxy-furo[2,3,4-gh]pyrrolizine-2,6-dione","","- C20 H24 Br N O5 -","- C20 H24 Br N O5 -","- C80 H96 Br4 N4 O20 -","4","1","","Agatsuma, Tsutomu; Akama, Tsutomu; Nara, Shinji; Matsumiya, Shigeki; Nakai, Ryuichiro; Ogawa, Harumi; Otaki, Shizuo; Ikeda, Shun-ichi; Saitoh, Yutaka; Kanda, Yutaka","UCS1025A and B, New Antitumor Antibiotics from the FungusAcremoniumSpecies","Organic Letters","2002","4","25","4387","","10.1021/ol026923b","","","1.54184","CuKα","","0.0865","0.0561","","0.1467","0.1262","","","","1.042","1.076","1.076","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507484","11.2629","0.0014","14.534","0.0018","15.0164","0.0019","108.378","0.002","92.145","0.003","101.385","0.003","2273.7","0.5","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C61 H45 S2 -","- C61 H45 S2 -","- C122 H90 S4 -","2","1","","Wong, Ken-Tsung; Wang, Chung-Feng; Chou, Chung Hsien; Su, Yuhlong Oliver; Lee, Gene-Hsiang; Peng, Shie-Ming","Synthesis and properties of novel thiophene-based conjugated homologues: 9,9-diphenylfluorene-capped oligothiophenes.","Organic letters","2002","4","25","4439","4442","10.1021/ol027001b","","","0.71073","MoKα","","0.1979","0.0722","","","0.1621","0.2171","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507485","17.4458","0.0017","14.1729","0.0013","16.0903","0.0015","90","","100.892","0.002","90","","3906.8","0.6","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C19 H27 N O4 S -","- C19 H27 N O4 S -","- C152 H216 N8 O32 S8 -","8","1","","Lu, Cheng; Lu, Xiyan","Tandem reactions to construct heterocycles via phosphine-catalyzed umpolung addition and intramolecular conjugate addition.","Organic letters","2002","4","26","4677","4679","10.1021/ol0270733","","","0.71073","MoKα","","0.1227","0.0451","","","0.0776","0.0912","","","","","","0.74","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507486","23.493","0.002","5.3111","0.0005","26.185","0.002","90","","115.918","0.002","90","","2938.6","0.4","296.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H30 O4 S6 -","- C30 H30 O4 S6 -","- C120 H120 O16 S24 -","4","0.5","","Kozaki, M.; Yonezawa, Y.; Okada, K.","Cyclopentadithiophene (CPDT) dimer dication: bipolaron model for quaterthiophenes.","Organic letters","2002","4","25","4535","4538","10.1021/ol027080r","","","0.7107","MoKα","","","0.0392","","","","0.101","","","","","","1.645","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507487","13.844","0.001","13.846","0.001","18.7","0.002","71.71","0.01","71.68","0.01","60.87","0.01","2916","0.5","173.2","","","","","","","","","","","7","P 1","P 1","1","","","","- C44 H36 Cl10 Fe2 N4 O S6 -","- C44 H32 Cl10 Fe2 N4 O S6 -","- C88 H64 Cl20 Fe4 N8 O2 S12 -","2","2","","Kozaki, M.; Yonezawa, Y.; Okada, K.","Cyclopentadithiophene (CPDT) dimer dication: bipolaron model for quaterthiophenes.","Organic letters","2002","4","25","4535","4538","10.1021/ol027080r","","","0.7107","MoKα","","","0.088","","","","0.2452","","","","","","1.238","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507488","9.636","0.0001","10.1513","0.0001","14.2933","0.0002","92.812","0.001","91.68","0.001","92.388","0.001","1394.56","0.03","153","2","153","2","","","","","","","","3","P -1","-P 1","2","","","","- C19 H16 N2 -","- C19 H16 N2 -","- C76 H64 N8 -","4","2","","Nadipuram, Asha K.; David, Wendi M.; Kumar, Dalip; Kerwin, Sean M.","Synthesis and thermolysis of heterocyclic 3-aza-3-ene-1,5-diynes(1).","Organic letters","2002","4","25","4543","4546","10.1021/ol027100p","","","0.71073","MoKα","","0.068","0.0408","","","0.0839","0.0939","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507489","28.625","0.003","6.7023","0.0006","17.446","0.002","90","","121.459","0.003","90","","2855.1","0.5","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C30 H35 N O12 -","- C30 H35 N O12 -","- C120 H140 N4 O48 -","4","1","","Yang, Zhixiang; Shannon, Dean; Truong, Vouy-Linh; Deslongchamps, Pierre","Studies directed toward asymmetric synthesis of cardioactive steroids via anionic polycyclization.","Organic letters","2002","4","26","4693","4696","10.1021/ol027125o","","","0.71073","MoKα","","0.0359","0.0309","","","0.0769","0.08","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507490","10.0266","0.0002","19.7098","0.0005","10.6355","0.0003","90","","103.203","0.0009","90","","2046.25","0.09","298","","","","","","","","","","Local laboratory","6","P 1 21 1","P 2yb","4","","","","- C48 H38 Cu N3 O3 P2 -","- C48 H38 Cu N3 O3 P2 -","- C96 H76 Cu2 N6 O6 P4 -","2","1","","Bates, Craig G.; Saejueng, Pranorm; Murphy, Jaclyn M.; Venkataraman, D.","Synthesis of 2-arylbenzo[b]furans via copper(I)-catalyzed coupling of o-iodophenols and aryl acetylenes.","Organic letters","2002","4","26","4727","4729","10.1021/ol0272040","","","0.71073","MoKα","","0.0241","0.0228","","","0.0581","0.0593","","","","","","1.014","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1507494","13.0945","0.0001","19.8439","0.0001","18.6198","0.0003","90","","96.158","0.001","90","","4810.36","0.09","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C48 H60 O14 S4 -","- C48 H60 O14 S4 -","- C192 H240 O56 S16 -","4","0.5","","Xu, Jianwei; Lai, Yee-Hing; He, Chaobin","A Unique Spherical Molecular Host withD2dSymmetry. A Novel Intramolecular Kinetic Equilibrium in Metal Ion Complexation between Two Crown Ethers","Organic Letters","2002","4","22","3911","","10.1021/ol026780t","","","0.71073","MoKα","","0.1245","0.076","","","0.1283","0.1478","","","","","","1.158","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507495","10.3419","0.001","22.206","0.002","12.4509","0.0016","90.042","0.003","114.478","0.002","89.959","0.002","2602.4","0.5","123","2","293","2","","","","","","","","2","P -1","-P 1","2","tetrakis(bicyclo[2.2.2]octeno)fluorene","","","- C37 H42 -","- C37 H42 -","- C148 H168 -","4","2","","Nishinaga, Tohru; Inoue, Ryota; Matsuura, Akira; Komatsu, Koichi","Radical Cation and Dication of Fluorene Fully Annelated with Bicyclo[2.2.2]octene Units: Importance of the Quinoidal Resonance Structure in the Cationic Fluorene","Organic Letters","2002","4","23","4117","","10.1021/ol026841n","","","0.71073","MoKα","","0.0945","0.0802","","","0.1704","0.1755","","","","","","1.211","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507496","10.5029","0.0008","19.6289","0.0015","20.4634","0.0015","90","","90","","90","","4218.7","0.6","123","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","tetrakis(bicyclo[2.2.2]octeno)fluorene radical cation","","","- C39 H46 Cl10 Sb -","- C39 H46 Cl10 Sb -","- C156 H184 Cl40 Sb4 -","4","1","","Nishinaga, Tohru; Inoue, Ryota; Matsuura, Akira; Komatsu, Koichi","Radical Cation and Dication of Fluorene Fully Annelated with Bicyclo[2.2.2]octene Units: Importance of the Quinoidal Resonance Structure in the Cationic Fluorene","Organic Letters","2002","4","23","4117","","10.1021/ol026841n","","","0.71073","MoKα","","0.0444","0.0392","","","0.0942","0.096","","","","","","1.106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507497","9.289","0.009","11.89","0.016","12.035","0.006","90","","112.12","0.09","90","","1231","2","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","chloroformyldimethylanimomethylenpentacarbonylchromium(0)","","- C9 H6 Cl Cr N O6 -","- C9 H6 Cl Cr N O6 -","- C36 H24 Cl4 Cr4 N4 O24 -","4","1","","Barluenga, José; Aznar, Fernando; Gutiérrez, Ignacio; García-Granda, Santiago; Llorca-Baragaño, M Amparo","First intermolecular cyclopropanation of Fischer dialkylaminocarbene complexes. Synthesis of 1-aminocyclopropanecarboxylic acid derivatives.","Organic letters","2002","4","24","4273","4276","10.1021/ol026896p","","","0.71073","MoKα","","0.0573","0.0382","","","0.1074","0.1174","","","","","","1.136","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507498","18.581","0.0008","7.4811","0.0005","22.069","0.001","90","","96.821","0.001","90","","3046","0.3","205","","205","","","","","","","","Local laboratory","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H28 I2 O3 -","- C35 H28 I2 O2 -","- C140 H112 I8 O8 -","4","1","","Höger, Sigurd; Rosselli, Silvia; Ramminger, Anne-Désirée; Enkelmann, Volker","A facile synthesis of large extraannular-functionalized phenyl-ethynyl macrocycles containing m-terphenyl units.","Organic letters","2002","4","24","4269","4272","10.1021/ol026870y","","","0.71073","MoKα","","","0.0566","","","","0.0523","","","","","","0.8488","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1517197","13.973","0.0015","16.4623","0.0017","22.216","0.002","90","","90","","90","","5110.3","0.9","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C47.5 H40 Cl2 O7.5 P2 -","- C47.5 H44 Cl2 O7.5 P2 -","- C190 H176 Cl8 O30 P8 -","4","1","","Qiu, Liqin; Qi, Jianying; Pai, Cheng-Chao; Chan, Shusun; Zhou, Zhongyuan; Choi, Michael C. K.; Chan, Albert S. C.","Synthesis of novel diastereomeric diphosphine ligands and their applications in asymmetric hydrogenation reactions.","Organic letters","2002","4","26","4599","4602","10.1021/ol026817+","","","0.71073","MoKα","","0.1439","0.0643","","","0.1525","0.1769","","","","","","0.995","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1517199","9.1151","0.0001","10.0902","0.0003","13.9221","0.0004","89.227","0.001","85.947","0.001","83.901","0.002","1270","0.05","293","2","293","2","","","","","","","see text","4","P -1","-P 1","2","","","","- C26 H34 O5 S2 -","- C26 H34 O5 S2 -","- C52 H68 O10 S4 -","2","1","","Xu, Jianwei; Lai, Yee-Hing","Synthesis, Complexation, and Supramolecular Assembly of 21,30-Dithia-17,25-dimethyl-1,4,7,10,13- pentaoxa[13.3.3](1,2,6)cyclophane†","Organic Letters","2002","4","19","3211","","10.1021/ol026374+","","","0.71073","MoKα","","0.112","0.0715","","0.1889","0.1698","","","","1","1.154","1.154","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1517200","20.1965","0.0006","9.2913","0.0003","16.3782","0.0005","90","","90.883","0.001","90","","3073.03","0.16","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H38 Cl Na O10 S2 -","- C27 H38 Cl Na O10 S2 -","- C108 H152 Cl4 Na4 O40 S8 -","4","1","","Xu, Jianwei; Lai, Yee-Hing","Synthesis, Complexation, and Supramolecular Assembly of 21,30-Dithia-17,25-dimethyl-1,4,7,10,13- pentaoxa[13.3.3](1,2,6)cyclophane†","Organic Letters","2002","4","19","3211","","10.1021/ol026374+","","","0.71073","MoKα","","0.1037","0.0639","","","0.1482","0.1652","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"5000304","6.4814","0.0002","10.6477","0.0004","13.9211","0.0005","98.761","0.001","91.012","0.001","104.237","0.001","918.83","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H22 Cr O5 Si -","- C17 H22 Cr O5 Si -","- C34 H44 Cr2 O10 Si2 -","2","1","","Moser, William H.; Zhang, Jian; Lecher, Carl S.; Frazier, Tracy L.; Pink, Maren","Stereocontrolled [3 + 2] Annulations with Arene Chromium Tricarbonyl Complexes: Construction of Spirocyclic Compounds Related to Fredericamycin A","Organic Letters","2002","4","12","1981","1984","10.1021/ol025729m","","","0.71073","MoKα","","0.0487","0.0353","","","0.0877","0.0942","","","","","","1.02","","","","has coordinates","178217","2020-10-21","18:00:00",""