# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T15:41:12+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 = 8 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
"1505809","7.981","0.001","22.703","0.004","11.227","0.002","90","","92.995","0.003","90","","2031.5","0.6","163.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H20 I N O5 -","- C19 H24 I N O5 -","- C76 H96 I4 N4 O20 -","4","1","","Grundl, Marc A.; Trauner, Dirk","Synthetic studies toward the haouamines.","Organic letters","2006","8","1","23","25","10.1021/ol052262h","","","0.7107","MoKα","","0.0637","0.0338","","0.0421","","0.0369","","","","","","1.312","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505810","32.3106","0.0008","12.0276","0.0003","12.5523","0.0003","90","","90","","90","","4878.1","0.2","100","2","100","2","","","","","","","","4","F d d 2","F 2 -2d","43","","","","- C31 H26 O2 P2 -","- C31 H26 O2 P2 -","- C248 H208 O16 P16 -","8","0.5","","Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan","Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.","Organic letters","2006","8","3","363","366","10.1021/ol0522788","","","1.54178","CuKα","","0.0305","0.0296","","","0.0722","0.0727","","","","","","1.13","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505811","9.015","0.006","9.235","0.006","32.8","0.02","90","","90","","90","","2731","3","100","2","373","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 B2 P2 -","- C31 H36 B2 P2 -","- C124 H144 B8 P8 -","4","1","","Vandyck, Koen; Matthys, Bavo; Willen, Mario; Robeyns, Koen; Van Meervelt, Luc; Van der Eycken, Johan","Rhodium-Catalyzed Asymmetric Conjugate Additions of Boronic Acids to enones using DIPHONANE: a novel chiral bisphosphine ligand.","Organic letters","2006","8","3","363","366","10.1021/ol0522788","","","1.54178","CuKα","","0.0629","0.0484","","","0.1002","0.1041","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505812","12.41","0.0012","12.8373","0.0012","25.498","0.002","90","","92.49","0.002","90","","4058.3","0.6","294","2","294","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C76 H86 Cl12 N2 O16 -","- C76 H86 Cl12 N2 O16 -","- C152 H172 Cl24 N4 O32 -","2","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.1314","0.0873","","","0.2583","0.307","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505813","15.303","0.002","16.558","0.002","19.187","0.003","90","","97.376","0.002","90","","4821.5","1.1","294","2","294","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","","","- C85.5 H102.5 Cl F12 N2.5 O17 P2 -","- C85.5 H102.5 Cl F12 N2.5 O17 P2 -","- C171 H205 Cl2 F24 N5 O34 P4 -","2","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.1912","0.0996","","","0.2858","0.3641","","","","","","1.106","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505814","13.944","0.003","14.295","0.004","15.3","0.004","82.786","0.005","66.607","0.004","63.871","0.004","2508.5","1.1","294","2","294","2","","","","","","","","7","P -1","-P 1","2","","","","- C95 H120 Cl2 F12 N2 O16 P2 -","- C95 H120 Cl2 F12 N2 O16 P2 -","- C95 H120 Cl2 F12 N2 O16 P2 -","1","0.5","","Zong, Qian-Shou; Chen, Chuan-Feng","Novel triptycene-based cylindrical macrotricyclic host: synthesis and complexation with paraquat derivatives.","Organic letters","2006","8","2","211","214","10.1021/ol052325w","","","0.71073","MoKα","","0.2023","0.1113","","","0.325","0.3954","","","","","","1.198","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505815","7.3574","0.0015","15.976","0.003","16.707","0.003","90","","90","","90","","1963.8","0.6","213","2","213","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C20 H25 B Fe N O P -","- C20 H25 B Fe N O P -","- C80 H100 B4 Fe4 N4 O4 P4 -","4","1","","Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang","Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene.","Organic letters","2006","8","2","215","218","10.1021/ol0523704","","","0.71073","MoKα","","0.0672","0.0351","","","0.0469","0.0517","","","","","","0.76","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505816","11.2546","0.0012","7.2839","0.0008","23.607","0.003","90","","102.734","0.002","90","","1887.6","0.4","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C21 H24 Fe N O2 P -","- C21 H24 Fe N O2 P -","- C84 H96 Fe4 N4 O8 P4 -","4","2","","Vinci, Daniele; Mateus, Nuno; Wu, Xiaofeng; Hancock, Fred; Steiner, Alexander; Xiao, Jianliang","Oxazaphospholidine-oxide as an efficient ortho-directing group for the diastereoselective deprotonation of ferrocene.","Organic letters","2006","8","2","215","218","10.1021/ol0523704","","","0.71073","MoKα","","0.0484","0.0421","","","0.0892","0.0911","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505817","19.286","0.002","8.198","0.002","12.114","0.002","90","","98.967","0.01","90","","1891.9","0.6","298.2","","","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C18 H24 N2 O5 S -","- C18 H24 N2 O5 S -","- C72 H96 N8 O20 S4 -","4","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0484","","","","0.0609","","","","","","1.706","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505818","26.507","0.007","18.459","0.003","12.035","0.002","90","","106.22","0.02","90","","5654","2","298.2","","","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 N2 O7 S -","- C24 H29 N2 O7 S -","- C192 H232 N16 O56 S8 -","8","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0751","","","","0.1294","","","","","","1.97","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505819","11.972","0.002","12.187","0.003","17.556","0.003","90","","90","","90","","2561.5","0.9","298.2","","","","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C25 H32 N2 O7 S -","- C25 H32 N2 O7 S -","- C100 H128 N8 O28 S4 -","4","1","","Tokumaru, Kazuyuki; Arai, Shigeru; Nishida, Atsushi","Stereoselective furan-iminium cation cyclization in the construction of the core structure of manzamine A.","Organic letters","2006","8","1","27","30","10.1021/ol052387m","","","1.5418","CuKα","","","0.0407","","","","0.0514","","","","","","1.377","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505820","8.0158","0.0016","6.5155","0.0013","26.09","0.005","90","","90.072","0.003","90","","1362.6","0.5","300","","300","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H16 N2 O -","- C16 H16 N2 O -","- C64 H64 N8 O4 -","4","1","","Munegumi, Takeshi; Azumaya, Isao; Kato, Takako; Masu, Hyuma; Saito, Shinichi","[3+2] cross-coupling reactions of aziridines with isocyanates catalyzed by nickel(II) iodide.","Organic letters","2006","8","3","379","382","10.1021/ol052417l","","","0.71073","MoKα","","0.0876","0.0394","","","0.0825","0.0895","","","","","","0.712","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505821","14.16","0.01","9.62","0.01","22.15","0.01","90","","92","0.05","90","","3015","4","293.2","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C17 H18 F12 N6 O8 S4 -","- C17 H18 F12 N6 O8 S4 -","- C68 H72 F48 N24 O32 S16 -","4","0.5","","Patil, Mahesh L.; Rao, C. V. Laxman; Yonezawa, Kohji; Takizawa, Shinobu; Onitsuka, Kiyotaka; Sasai, Hiroaki","Design and synthesis of novel chiral spiro ionic liquids.","Organic letters","2006","8","2","227","230","10.1021/ol052466y","","","0.7107","MoKα","","","0.0652","","","","0.1796","","","","","","2.037","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505822","11.681","0.005","19.082","0.009","6.506","0.002","90","","90","","90","","1450.2","1","253","","","","","","","","","","Local laboratory","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H24 O S2 -","- C15 H24 O S2 -","- C60 H96 O4 S8 -","4","1","","Ishii, Akihiko; Ohishi, Masayuki; Matsumoto, Kimiyo; Takayanagi, Toshiyuki","Synthesis and properties of a dithiirane trans-1,2-dioxide, a three-membered vic-disulfoxide.","Organic letters","2006","8","1","91","94","10.1021/ol052570f","","","1.54178","CuKα","","0.052","0.0516","","","0.1351","0.1355","","","","","","1.076","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505823","11.504","0.0009","13.877","0.0012","19.44","0.002","90","","111.041","0.004","90","","2896.5","0.5","153","","","","","","","","","","Local laboratory","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H24 O2 S2 -","- C15 H24 O2 S2 -","- C120 H192 O16 S16 -","8","2","","Ishii, Akihiko; Ohishi, Masayuki; Matsumoto, Kimiyo; Takayanagi, Toshiyuki","Synthesis and properties of a dithiirane trans-1,2-dioxide, a three-membered vic-disulfoxide.","Organic letters","2006","8","1","91","94","10.1021/ol052570f","","","0.71073","MoKα","","0.1755","0.0968","","","0.2123","0.241","","","","","","1.035","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505824","26.119","0.003","11.3717","0.0013","25.521","0.003","90","","100.205","0.002","90","","7460.3","1.5","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound6","chloro(2,6-dichloropyrimidin-4-yl)bis(triphenylphosphoranyl)palladium","","- C40 H31 Cl3 N2 P2 Pd -","- C40 H31 Cl3 N2 P2 Pd -","- C320 H248 Cl24 N16 P16 Pd8 -","8","2","","Peng, Zhi-Hui; Journet, Michel; Humphrey, Guy","A highly regioselective amination of 6-aryl-2,4-dichloropyrimidine.","Organic letters","2006","8","3","395","398","10.1021/ol052578p","","","0.71073","MoKα","","0.1119","0.0552","","","0.1054","0.1252","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505825","7.9843","0.0001","13.9102","0.0002","15.4291","0.0002","90","","91.059","0.001","90","","1713.31","0.04","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","cyclopentylphosphorinane","","","- C14 H28 B F4 P -","- C14 H28 B F4 P -","- C56 H112 B4 F16 P4 -","4","2","","Brenstrum, Tim; Clattenburg, Julie; Britten, James; Zavorine, Serguei; Dyck, Jeff; Robertson, Alan J.; McNulty, James; Capretta, Alfredo","Phosphorinanes as ligands for palladium-catalyzed cross-coupling chemistry.","Organic letters","2006","8","1","103","105","10.1021/ol052579h","","","1.54178","CuKα","","0.0591","0.0571","","","0.1632","0.1679","","","","","","1.023","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505826","13.991","0.003","13.811","0.003","32.54","0.007","90","","102.17","0.03","90","","6146","2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C87 H54 O12 -","- C87 H54 O12 -","- C348 H216 O48 -","4","1","","Huang, Shaohua; Wang, Fudong; Gan, Liangbing; Yuan, Gu; Zhou, Jiang; Zhang, Shiwei","Preparation of fullerendione through oxidation of vicinal fullerendiol and intramolecular coupling of the dione to form hemiketal/ketal moieties.","Organic letters","2006","8","2","277","279","10.1021/ol052602z","","","0.71073","MoKα","","0.1562","0.0719","","","0.172","0.1975","","","","","","1.011","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1505827","10.73","0.01","12.94","0.02","16.36","0.02","90","","93.7","0.06","90","","2267","5","223.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H33 N O -","- C27 H33 N O -","- C108 H132 N4 O4 -","4","1","","Kusama, Hiroyuki; Miyashita, Yuichi; Takaya, Jun; Iwasawa, Nobuharu","Pt(II)- or Au(III)-catalyzed [3+2] cycloaddition of metal-containing azomethine ylides: highly efficient synthesis of the mitosene skeleton.","Organic letters","2006","8","2","289","292","10.1021/ol052610f","","","0.7107","MoKα","","","0.0564","","","","0.1899","","","","","","0.919","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505828","10.055","0.002","14.345","0.003","15.008","0.003","90","","102.79","0.03","90","","2111","0.8","106","2","106","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 O5 S -","- C22 H30 O5 S -","- C88 H120 O20 S4 -","4","1","","Liu, Haibo; Siegel, Dionicio R.; Danishefsky, Samuel J.","Studies directed toward the synthesis of terreulactone A: rapid construction of the A, B, C rings.","Organic letters","2006","8","3","423","425","10.1021/ol052618p","","","0.71073","MoKα","","0.1066","0.0551","","","0.1068","0.1236","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505829","9.6531","0.001","10.8282","0.0011","18.872","0.002","90","","101.196","0.002","90","","1935.1","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H29 Cl N2 O2 -","- C20 H29 Cl N2 O2 -","- C80 H116 Cl4 N8 O8 -","4","1","","Liu, Yanqin; Luo, Shengjun; Fu, Xingnian; Fang, Fang; Zhuang, Zeyang; Xiong, Wanting; Jia, Xueshun; Zhai, Hongbin","Facile construction of the pentacyclic framework of subincanadine B. Synthesis of 20-deethylenylated subincanadine B and 19,20-dihydrosubincanadine B.","Organic letters","2006","8","1","115","118","10.1021/ol0526367","","","0.71073","MoKα","","0.0828","0.0577","","","0.1459","0.159","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505830","8.5858","0.0006","11.5065","0.0008","11.7576","0.0008","72.062","0.001","82.806","0.001","72.604","0.001","1053.85","0.13","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H24 O2 S -","- C25 H24 O2 S -","- C50 H48 O4 S2 -","2","1","","Xie, Meihua; Wang, Jialiang; Gu, Xiaoxia; Sun, Ying; Wang, Shaowu","Highly regio- and stereoselective synthesis of tetrasubstituted olefins by the three-component tandem reaction of allylzinc bromide, acetylenic sulfone, and halohydrocarbon.","Organic letters","2006","8","3","431","434","10.1021/ol052640i","","","0.71073","MoKα","","0.0791","0.0744","","","0.1852","0.1898","","","","","","1.153","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505831","7.1616","0.0005","13.2625","0.0011","13.4547","0.0011","94.215","0.003","100.102","0.003","96.192","0.003","1245.2","0.17","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 F4 O2 -","- C30 H32 F4 O2 -","- C60 H64 F8 O4 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.0648","0.0483","","","0.125","0.1368","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505832","4.9461","0.0015","9.748","0.003","28.705","0.009","92.905","0.009","93.547","0.009","92.621","0.009","1377.9","0.7","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H40 F4 -","- C34 H40 F4 -","- C68 H80 F8 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.0792","0.0621","","","0.1483","0.1568","","","","","","1.103","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505833","7.547","0.003","11.965","0.006","14.843","0.007","79.33","0.012","82.968","0.012","79.947","0.012","1291.3","1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H32 F4 O2 -","- C30 H32 F4 O2 -","- C60 H64 F8 O4 -","2","1","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.1363","0.0751","","","0.204","0.2491","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505834","7.9507","0.0013","16.883","0.003","22.692","0.004","107.104","0.005","99.04","0.005","102.78","0.005","2757.3","0.8","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C34 H40 F4 -","- C34 H40 F4 -","- C136 H160 F16 -","4","2","","Chen, Zhihua; Müller, Peter; Swager, Timothy M.","Syntheses of soluble, pi-stacking tetracene derivatives.","Organic letters","2006","8","2","273","276","10.1021/ol0526468","","","0.71073","MoKα","","0.1291","0.0534","","","0.1028","0.1275","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505835","13.282","0.0003","14.2815","0.0003","18.9888","0.0005","90","","102.049","0.001","90","","3522.57","0.14","295","2","295","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C31 H42 F6 N2 O8 P -","- C31 H42 F6 N2 O8 P -","- C124 H168 F24 N8 O32 P4 -","4","1","","Cheng, Pin-Nan; Lin, Chi-Feng; Liu, Yi-Huang; Lai, Chien-Chen; Peng, Shie-Ming; Chiu, Sheng-Hsien","[3]Pseudorotaxane-like complexes formed between bipyridinium dications and bis-p-xylyl[26]crown-6.","Organic letters","2006","8","3","435","438","10.1021/ol052679n","","","0.71073","MoKα","","0.1736","0.1282","","","0.3755","0.4177","","","","","","1.575","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505836","13.6759","0.0003","15.5595","0.0003","17.7584","0.0004","92","0.001","91.004","0.0012","110.722","0.0011","3530.4","0.13","295","2","295","2","","","","","","","","6","P -1","-P 1","2","","","","- C67 H88 F12 N2 O7 P2 -","- C67 H88 F12 N2 O7 P2 -","- C134 H176 F24 N4 O14 P4 -","2","1","","Cheng, Pin-Nan; Lin, Chi-Feng; Liu, Yi-Huang; Lai, Chien-Chen; Peng, Shie-Ming; Chiu, Sheng-Hsien","[3]Pseudorotaxane-like complexes formed between bipyridinium dications and bis-p-xylyl[26]crown-6.","Organic letters","2006","8","3","435","438","10.1021/ol052679n","","","0.71073","MoKα","","0.1853","0.1145","","","0.3132","0.3903","","","","","","1.009","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505837","16.1963","0.0018","17.0849","0.0019","16.26","0.0018","90","","99.234","0.002","90","","4441","0.9","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","tert-Butyl 2-(3-(benzylsulfonyl)-1-methyl-2-oxo-1,2,3,4,- tetrahydroquinolin-4-yl)acetate","","- C23 H27 N O5 S -","- C23 H27 N O5 S -","- C184 H216 N8 O40 S8 -","8","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0645","0.0474","","","0.122","0.1315","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505838","17.2061","0.0008","16.3253","0.0008","16.2379","0.0008","90","","102.691","0.001","90","","4449.7","0.4","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C23 H25 F2 N O5 S -","- C23 H25 F2 N O5 S -","- C184 H200 F16 N8 O40 S8 -","8","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.039","0.0339","","","0.0896","0.0935","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505839","14.9879","0.0017","13.5965","0.0016","8.7184","0.001","90","","95.95","0.002","90","","1767.1","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0658","0.0446","","","0.1063","0.1167","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505840","10.8283","0.0013","11.0456","0.0013","12.277","0.002","103.161","0.002","113.007","0.002","103.923","0.001","1223.9","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H31 N O5 S -","- C26 H31 N O5 S -","- C52 H62 N2 O10 S2 -","2","1","","Turner, Kristy L.; Baker, Thomas M.; Islam, Saidul; Procter, David J.; Stefaniak, Mark","Solid-phase approach to tetrahydroquinolones using a sulfur linker cleaved by SmI2.","Organic letters","2006","8","2","329","332","10.1021/ol052730n","","","0.71073","MoKα","","0.0641","0.0395","","","0.0798","0.0851","","","","","","0.879","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505841","7.873","0.002","8.231","0.002","18.935","0.005","90","","90","","90","","1227","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(1R,2R,4S,5S)-9-(4-hydroxymethyl-3-oxabicyclo[3.2.0]hept-2-yl)adenine","","- C12 H15 N5 O2 -","- C12 H15 N5 O2 -","- C48 H60 N20 O8 -","4","1","","Alibés, Ramon; Alvárez-Larena, Angel; de March, Pedro; Figueredo, Marta; Font, Josep; Parella, Teodor; Rustullet, Albert","Synthesis and conformational analysis of new cyclobutane-fused nucleosides.","Organic letters","2006","8","3","491","494","10.1021/ol052794y","","","0.71069","MoKα","","0.0348","0.0291","","","0.0752","0.0762","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505842","10.9949","0.0013","8.8953","0.0011","21.764","0.003","90","","95.626","0.003","90","","2118.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H27 N O2 S -","- C23 H27 N O2 S -","- C92 H108 N4 O8 S4 -","4","1","","Lu, Lianghua; Chen, Guofei; Ma, Shengming","Ring-opening cyclization of alkylidenecyclopropyl ketones with amines. An efficient synthesis of 2,3,4-trisubstituted pyrroles.","Organic letters","2006","8","5","835","838","10.1021/ol052797a","","","0.71073","MoKα","","0.1469","0.0535","","","0.0943","0.1181","","","","","","0.8","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505843","7.7125","0.0008","5.1434","0.0005","11.7032","0.0011","90","","102.305","0.003","90","","453.58","0.08","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C10 H11 Br O -","- C10 H11 Br O -","- C20 H22 Br2 O2 -","2","1","","Ros, Abel; Magriz, Antonio; Dietrich, Hansjörg; Fernández, Rosario; Alvarez, Eleuterio; Lassaletta, José M","Enantioselective synthesis of vicinal halohydrins via dynamic kinetic resolution.","Organic letters","2006","8","1","127","130","10.1021/ol052821k","","","0.71073","MoKα","","0.0455","0.0413","","","0.099","0.1007","","","","","","1.059","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505844","23.7316","0.0016","6.1829","0.0004","15.0644","0.0011","90","","103.579","0.002","90","","2148.6","0.3","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C6 H11 Br O -","- C6 H11 Br O -","- C72 H132 Br12 O12 -","12","3","","Ros, Abel; Magriz, Antonio; Dietrich, Hansjörg; Fernández, Rosario; Alvarez, Eleuterio; Lassaletta, José M","Enantioselective synthesis of vicinal halohydrins via dynamic kinetic resolution.","Organic letters","2006","8","1","127","130","10.1021/ol052821k","","","0.71073","MoKα","","0.0463","0.0307","","","0.0636","0.0692","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505845","15.469","0.0017","7.263","0.003","22.129","0.007","90","","90","0.006","90","","2486.2","1.3","268","2","268","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H15 N O4 -","- C14 H15 N O4 -","- C112 H120 N8 O32 -","8","1","","Jung, Cheol-Kyu; Garner, Susan A.; Krische, Michael J.","Hydrogen-mediated aldol reductive coupling of vinyl ketones catalyzed by rhodium: high syn-selectivity through the effect of tri-2-furylphosphine.","Organic letters","2006","8","3","519","522","10.1021/ol052859x","","","0.71073","MoKα","","0.2741","0.1036","","","0.1515","0.2154","","","","","","1.194","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505846","13.1593","0.0003","13.2888","0.0006","6.9813","0.0006","90","","100.367","0.003","90","","1200.9","0.12","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H11 N O5 -","- C13 H11 N O5 -","- C52 H44 N4 O20 -","4","1","","Jung, Cheol-Kyu; Garner, Susan A.; Krische, Michael J.","Hydrogen-mediated aldol reductive coupling of vinyl ketones catalyzed by rhodium: high syn-selectivity through the effect of tri-2-furylphosphine.","Organic letters","2006","8","3","519","522","10.1021/ol052859x","","","0.71073","MoKα","","0.2318","0.1881","","","0.1504","0.1552","","","","","","2.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505847","10.3385","0.0017","15.144","0.003","9.3743","0.0015","90","","109.245","0.003","90","","1385.7","0.4","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H18 O4 -","- C16 H18 O4 -","- C64 H72 O16 -","4","1","","Nair, Vijay; Vellalath, Sreekumar; Poonoth, Manojkumar; Mohan, Resmi; Suresh, Eringathodi","N-heterocyclic carbene catalyzed reaction of enals and 1,2-dicarbonyl compounds: stereoselective synthesis of spiro gamma-butyrolactones.","Organic letters","2006","8","3","507","509","10.1021/ol052926n","","","0.71073","MoKα","","0.0791","0.0638","","","0.1432","0.1511","","","","","","1.109","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505848","10.372","0.003","10.387","0.003","17.53","0.005","90","","98.978","0.005","90","","1865.4","0.9","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Br N O4 -","- C21 H18 Br N O4 -","- C84 H72 Br4 N4 O16 -","4","1","","Nair, Vijay; Vellalath, Sreekumar; Poonoth, Manojkumar; Mohan, Resmi; Suresh, Eringathodi","N-heterocyclic carbene catalyzed reaction of enals and 1,2-dicarbonyl compounds: stereoselective synthesis of spiro gamma-butyrolactones.","Organic letters","2006","8","3","507","509","10.1021/ol052926n","","","0.71073","MoKα","","0.1141","0.069","","","0.1968","0.2551","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505849","20.9715","0.0016","39.437","0.003","13.8177","0.001","90","","90","","90","","11428","1.5","90","","90","","","","","","","","","10","P 21 21 2","P 2 2ab","18","","","","- C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5 -","- C107 H90.5 Ag Cl9.5 F7.5 N4 O9.5 P4 Ru2 S2.5 -","- C428 H362 Ag4 Cl38 F30 N16 O38 P16 Ru8 S10 -","4","1","","Mikami, Koichi; Wakabayashi, Kazuki; Aikawa, Kohsuke","""Achiral"" benzophenone ligand for highly enantioselective Ru catalysts in ketone hydrogenation.","Organic letters","2006","8","8","1517","1519","10.1021/ol052936o","","","0.71073","MoKα","","0.0821","0.0754","","","0.2099","0.2145","","","","","","1.145","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505850","7.553","0.001","10.746","0.002","13.435","0.002","90","","90","","90","","1090.4","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H12 O4 S -","- C10 H12 O4 S -","- C40 H48 O16 S4 -","4","1","","Tang, Zhuo; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Design of highly enantioselective organocatalysts based on molecular recognition.","Organic letters","2006","8","7","1263","1266","10.1021/ol0529391","","","0.71073","MoKα","","0.0478","0.0359","","","0.0826","0.086","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505851","5.814","0.001","13.696","0.002","16.114","0.002","90","","95.25","0.01","90","","1277.8","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H16 O4 -","- C14 H16 O4 -","- C56 H64 O16 -","4","1","","Tang, Zhuo; Cun, Lin-Feng; Cui, Xin; Mi, Ai-Qiao; Jiang, Yao-Zhong; Gong, Liu-Zhu","Design of highly enantioselective organocatalysts based on molecular recognition.","Organic letters","2006","8","7","1263","1266","10.1021/ol0529391","","","0.71073","MoKα","","0.0814","0.0394","","","0.074","0.0812","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505852","4.5846","0.0005","11.1492","0.0013","30.445","0.004","90","","90","","90","","1556.2","0.3","568","2","568","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Ghosh, Rina; Chakraborty, Arijit; Maiti, Dilip K.; Puranik, Vedavati G.","Crystal or low molecular mass organogel based on sugar-derived chiral pyrano[2,3-b]naphtho[1,2-e]pyrans.","Organic letters","2006","8","6","1061","1064","10.1021/ol052963e","","","0.71073","MoKα","","0.0891","0.0453","","","0.095","0.1102","","","","","","0.978","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505853","12.3888","0.0007","12.427","0.0007","12.5757","0.0007","69.343","0.001","60.607","0.001","61.71","0.001","1467.06","0.14","294","1","294","1","","","","","","","","5","P -1","-P 1","2","","","","- C54 H84 N4 O2 Si4 -","- C54 H84 N4 O2 Si4 -","- C54 H84 N4 O2 Si4 -","1","0.5","","Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F.","Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline.","Organic letters","2006","8","4","757","760","10.1021/ol0529851","","","0.71073","MoKα","","0.0576","0.0522","","","0.1494","0.156","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505854","38.747","0.002","13.9582","0.0008","15.0445","0.0009","90","","90","","90","","8136.6","0.8","150","1","150","1","","","","","","","","4","P c c n","-P 2ab 2ac","56","","","","- C76 H126 N4 Si6 -","- C76 H126 N4 Si6 -","- C304 H504 N16 Si24 -","4","0.5","","Miao, Shaobin; Smith, Mark D.; Bunz, Uwe H. F.","Synthesis of a peralkynylated pyrazino[2,3-g]quinoxaline.","Organic letters","2006","8","4","757","760","10.1021/ol0529851","","","0.71073","MoKα","","0.1113","0.0906","","","0.2179","0.235","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505855","7.72","0.02","26.56","0.08","9.43","0.04","90","","89.8","0.2","90","","1934","11","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H17 Cr N O5 -","- C21 H17 Cr N O6 -","- C84 H68 Cr4 N4 O24 -","4","2","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.1976","0.1026","","","0.2551","0.3137","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505856","14.681","0.002","14.7727","0.0019","37.15","0.006","90","","90","","90","","8057","2","296","2","296","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C352 H304 Cr16 N16 O80 -","16","2","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.1656","0.0597","","","0.1239","0.1602","","","","","","0.891","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505857","16.371","0.003","7.3063","0.0012","17.618","0.003","90","","108.702","0.008","90","","1996","0.6","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Cr N O5 -","- C22 H19 Cr N O5 -","- C88 H76 Cr4 N4 O20 -","4","1","","Kamikawa, Ken; Kinoshita, Shunsuke; Matsuzaka, Hiroyuki; Uemura, Motokazu","Stereoselective synthesis of axially chiral N-C bonds in N-aryl indoles.","Organic letters","2006","8","6","1097","1100","10.1021/ol0529997","","","0.71075","MoKα","","0.0993","0.0544","","","0.1279","0.1452","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505858","7.0987","0.0012","43.266","0.007","10.568","0.0018","90","","91.741","0.003","90","","3244.3","0.9","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H62 N2 O4 -","- C30 H62 N2 O4 -","- C120 H248 N8 O16 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1088","0.0615","","","0.1412","0.1634","","","","","","1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505859","7.0712","0.0005","45.852","0.003","10.6972","0.0007","90","","91.535","0.001","90","","3467.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H66 N2 O4 -","- C32 H66 N2 O4 -","- C128 H264 N8 O16 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1312","0.071","","","0.1457","0.1693","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505860","10.5447","0.0011","13.6428","0.0015","29.18","0.003","90","","99.866","0.002","90","","4135.7","0.8","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H76 N4 O8 -","- C36 H76 N4 O8 -","- C144 H304 N16 O32 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.1061","0.0642","","","0.1407","0.158","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505861","10.7741","0.0007","12.4712","0.0008","14.9297","0.001","68.438","0.001","71.439","0.001","68.545","0.001","1696.74","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H60 N4 O8 -","- C32 H60 N3.956 O8 -","- C64 H120 N7.912 O16 -","2","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.058","0.0532","","","0.1339","0.1386","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505862","30.215","0.002","15.4057","0.0011","26.0418","0.0018","90","","110.101","0.001","90","","11383.6","1.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C108 H204 N12 O24 -","- C108 H204 N12 O24 -","- C432 H816 N48 O96 -","4","1","","Ballabh, Amar; Trivedi, Darshak R.; Dastidar, Parthasarathi","From nonfunctional lamellae to functional nanotubes.","Organic letters","2006","8","7","1271","1274","10.1021/ol053000i","","","0.71073","MoKα","","0.0587","0.0526","","","0.1439","0.1482","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505863","15.069","0.003","24.79","0.006","25.46","0.006","114.553","0.004","91.187","0.004","102.178","0.005","8393","3","294","2","294","2","","","","","","","","6","P -1","-P 1","2","","","","- C70 H84 F12 N2 O16 P2 -","- C70 H84 F12 N2 O16 P2 -","- C280 H336 F48 N8 O64 P8 -","4","2","","Han, Tao; Chen, Chuan-Feng","A triptycene-based bis(crown ether) host: complexation with both paraquat derivatives and dibenzylammonium salts.","Organic letters","2006","8","6","1069","1072","10.1021/ol053008s","","","0.71073","MoKα","","0.2435","0.1056","","","0.2819","0.321","","","","","","0.93","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505864","8.3528","0.0017","11.293","0.002","27.476","0.006","89.93","0.03","89.86","0.03","73.88","0.03","2489.9","0.9","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","Bicyclo[1.1.1]pentane-1,2,3,4-tetracarboxylic acid 2,4-dimethyl ester","","- C11 H12 O8 -","- C11 H12 O8 -","- C88 H96 O64 -","8","4","","Mazal, Ctibor; Skarka, Ondrej; Kaleta, Jirí; Michl, Josef","cis-endo-Bicyclo[1.1.1]pentane-1,2,3,4- tetracarboxylic acid and its derivatives.","Organic letters","2006","8","4","749","752","10.1021/ol053039n","","","0.71069","MoKα","","0.0973","0.045","","","0.1049","0.1157","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505865","25.89","0.005","9.1958","0.0018","11.305","0.002","90","","97.94","0.03","90","","2665.7","0.9","120","2","120","2","","","","","","","","4","C 1 2 1","C 2y","5","","(R,R)-cis-endo-1,3-Di((1-phenylethylamino)carbonyl) bicyclo[1.1.1]pentane-2,4-dicarboxylic acid","","- C30 H31 N2 O6 -","- C30 H31 N2 O6 -","- C120 H124 N8 O24 -","4","1","","Mazal, Ctibor; Skarka, Ondrej; Kaleta, Jirí; Michl, Josef","cis-endo-Bicyclo[1.1.1]pentane-1,2,3,4- tetracarboxylic acid and its derivatives.","Organic letters","2006","8","4","749","752","10.1021/ol053039n","","","0.71069","MoKα","","0.0925","0.0386","","","0.0495","0.0616","","","","","","0.604","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505866","13.9598","0.0005","25.6067","0.0008","14.3176","0.0005","90","","114.59","0.0013","90","","4653.9","0.3","120","","120","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C57 H48 Si3 -","- C57 H48 Si3 -","- C228 H192 Si12 -","4","1","","Feng, Xinliang; Wu, Jishan; Enkelmann, Volk; Müllen, Klaus","Hexa-peri-hexabenzocoronenes by efficient oxidative cyclodehydrogenation: the role of the oligophenylene precursors.","Organic letters","2006","8","6","1145","1148","10.1021/ol053043z","","","0.71073","MoKα","","0.0629","0.0571","","0.0725","0.0671","0.0671","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505867","12.1176","0.0005","15.0945","0.0006","18.9522","0.0006","90","","99.5309","0.0012","90","","3418.7","0.2","120","","120","","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 -","- C50 H40 -","- C200 H160 -","4","1","","Feng, Xinliang; Wu, Jishan; Enkelmann, Volk; Müllen, Klaus","Hexa-peri-hexabenzocoronenes by efficient oxidative cyclodehydrogenation: the role of the oligophenylene precursors.","Organic letters","2006","8","6","1145","1148","10.1021/ol053043z","","","0.71073","MoKα","","0.1297","0.0502","","0.0572","0.0551","0.0551","","","","","","1.1498","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505868","18.5614","0.0003","34.2968","0.0008","10.4254","0.0002","90","","107.776","0.001","90","","6319.9","0.2","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","Richards","","- C42 H36 Co N2 O0.5 -","- C42 H36 Co N2 O0.5 -","- C336 H288 Co8 N16 O4 -","8","1","","Nguyen, Huy V.; Butler, David C. D.; Richards, Christopher J.","A metallocene-pyrrolidinopyridine nucleophilic catalyst for asymmetric synthesis.","Organic letters","2006","8","4","769","772","10.1021/ol053050n","","","0.71073","MoKα","","0.0605","0.0385","","","0.088","0.0971","","","","","","1.015","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505869","8.3022","0.0007","14.6332","0.0012","26.376","0.002","90","","90","","90","","3204.4","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","05294","","","- C36 H45 N O4 Si -","- C36 H45 N O4 Si -","- C144 H180 N4 O16 Si4 -","4","1","","Swidorski, Jacob J.; Wang, Jiashi; Hsung, Richard P.","A concise total synthesis of (-)-cylindricine C through a stereoselective intramolecular aza-[3 + 3] annulation strategy.","Organic letters","2006","8","4","777","780","10.1021/ol053059p","","","0.71073","MoKα","","0.0694","0.0399","","","0.0831","0.0971","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505870","7.7874","0.0007","9.2435","0.0009","9.3529","0.0009","108.87","0.002","107.825","0.002","95.669","0.002","591.68","0.1","293","2","293","2","","","","","","","","2","P -1","-P 1","2","","","","- C30 H34 -","- C30 H34 -","- C30 H34 -","1","0.5","","Cui, Weibin; Zhang, Xiaojie; Jiang, Xiaoxia; Tian, Hongkun; Yan, Donghang; Geng, Yanhou; Jing, Xiabin; Wang, Fosong","Synthesis and characterization of soluble oligo (9,10-bisalkynylanthrylene)s.","Organic letters","2006","8","4","785","788","10.1021/ol0530777","","","0.71073","MoKα","","0.0639","0.0503","","","0.1439","0.1598","","","","","","0.983","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505871","7.8294","0.0013","11.3508","0.0015","11.6799","0.0005","104.494","0.005","91.16","0.008","101.957","0.012","980.3","0.2","293","2","293","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","(7a-Hydroxymethyl-1,2,3,7a-tetrahydro-inden-3a-yl)-methanol","","- C11 H16 O2 -","- C11 H16 O2 -","- C44 H64 O8 -","4","2","","Monje, Pablo; Graña, Paula; Paleo, M. Rita; Sardina, F. Javier","Dearomatization-bis-alkylation of aromatic and heteroaromatic diesters promoted by Me3SnLi via a stanna-Brook rearrangement.","Organic letters","2006","8","5","951","954","10.1021/ol053130r","","x-ray","1.5418","CuKα","","0.1575","0.0977","","","0.2413","0.2667","","","","","","0.963","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505872","7.432","0.01","21.592","0.012","7.462","0.009","90","","116.22","0.11","90","","1074","2","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O2 -","- C12 H18 O2 -","- C48 H72 O8 -","4","1","","Monje, Pablo; Graña, Paula; Paleo, M. Rita; Sardina, F. Javier","Dearomatization-bis-alkylation of aromatic and heteroaromatic diesters promoted by Me3SnLi via a stanna-Brook rearrangement.","Organic letters","2006","8","5","951","954","10.1021/ol053130r","","x-ray","1.5418","CuKα","","0.1949","0.0969","","","0.2793","0.3805","","","","","","1.29","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505873","9.435","0.001","11.465","0.001","19.104","0.002","90","","90","","90","","2066.5","0.4","296","","296","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","compound 16","","","- C18 H31 N O3 S2 -","- C18 H31 N O3 S2 -","- C72 H124 N4 O12 S8 -","4","1","","Velázquez, Francisco; Arasappan, Ashok; Chen, Kevin; Sannigrahi, Mousumi; Venkatraman, Srikanth; McPhail, Andrew T.; Chan, Tze-Ming; Shih, Neng-Yang; Njoroge, F. George","Stereoselective synthesis of beta-substituted beta-amino sulfones and sulfonamides via addition of sulfonyl anions to chiral N-sulfinyl imines.","Organic letters","2006","8","4","789","792","10.1021/ol053132b","","","1.5418","CuKα","","0.075","0.064","","0.166","0.162","","","","1.02","1.02","1.02","","","","","has coordinates","288155","2023-12-07","17:20:21",""
"1505874","9.9133","0.0001","15.9233","0.0004","10.8269","0.0002","90","","105.844","0.002","90","","1644.12","0.06","253","2","","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H23 N O2 S -","- C17 H23 N O2 S -","- C68 H92 N4 O8 S4 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.7107","MoKα","","","0.158","","","","0.219","","","","","","1.126","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505875","15.5946","0.0005","18.5492","0.0006","6.2256","0.0003","90","","90","","90","","1800.86","0.12","253","2","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.7107","MoKα","","","0.07","","","","0.148","","","","","","0.978","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505876","5.6563","0.0001","16.0226","0.0005","18.3994","0.0007","90","","97.089","0.001","90","","1654.77","0.09","253","2","253","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C17 H25 N O3 S -","- C17 H25 N O3 S -","- C68 H100 N4 O12 S4 -","4","1","","Tomooka, Katsuhiko; Suzuki, Masaki; Shimada, Maki; Yanagitsuru, Syun-ichi; Uehara, Kazuhiro","Planar chiral cyclic amine and its derivatives: synthesis and stereochemical behavior.","Organic letters","2006","8","5","963","965","10.1021/ol053141k","","","0.71069","MoKα","","0.1438","0.1074","","","0.1903","0.2034","","","","","","1.32","","","","has coordinates","192782","2020-10-21","18:00:00",""
"1505877","17.779","0.003","5.731","0.001","9.827","0.002","90","","98.24","0.01","90","","991","0.3","198.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H20 F3 N O5 -","- C21 H20 F3 N O5 -","- C42 H40 F6 N2 O10 -","2","1","","Shimada, Taichi; Yoshioka, Masamitsu; Konno, Tsutomu; Ishihara, Takashi","Highly stereoselective TiCl4-Catalyzed Evans-aldol and Et3Al-mediated Reformatsky reactions. Efficient accesses to optically active syn- or anti-alpha-trifluoromethyl-beta-hydroxy carboxylic acid derivatives.","Organic letters","2006","8","6","1129","1131","10.1021/ol0531435","","","1.5418","CuKα","","","0.035","","","","0.1","","","","","","1.042","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505878","12.06","0.02","10.836","0.005","9.436","0.007","90","","104.83","0.09","90","","1192","2","198.1","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H24 F3 N O4 -","- C26 H24 F3 N O4 -","- C52 H48 F6 N2 O8 -","2","1","","Shimada, Taichi; Yoshioka, Masamitsu; Konno, Tsutomu; Ishihara, Takashi","Highly stereoselective TiCl4-Catalyzed Evans-aldol and Et3Al-mediated Reformatsky reactions. Efficient accesses to optically active syn- or anti-alpha-trifluoromethyl-beta-hydroxy carboxylic acid derivatives.","Organic letters","2006","8","6","1129","1131","10.1021/ol0531435","","","1.5418","CuKα","","","0.037","","","","0.099","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505879","9.062","0.002","11.895","0.003","12.311","0.003","98.051","0.006","100.63","0.01","109.27","0.01","1202","0.5","223.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H31 N O5 Si -","- C24 H31 N O5 Si -","- C48 H62 N2 O10 Si2 -","2","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.045","","","","0.049","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505880","8.94","0.002","12.302","0.004","21.509","0.004","90","","94.2","0.01","90","","2359.2","1","223.1","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H29 N O5 Si -","- C23 H29 N O5 Si -","- C92 H116 N4 O20 Si4 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.039","","","","0.081","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505881","12.051","0.002","20.06","0.004","11.469","0.002","90","","35.698","0.006","90","","1617.8","0.6","223.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.04","","","","0.079","","","","","","1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505882","14.582","0.002","18.285","0.003","5.944","0.001","90","","90","","90","","1584.9","0.4","223.1","","","","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C19 H17 N O4 -","- C19 H17 N O4 -","- C76 H68 N4 O16 -","4","1","","Kise, Naoki; Hirano, Yuuki; Tanaka, Yoshi","Electroreductive intramolecular coupling of aromatic imino esters: is four-membered cyclization much more favorable than six-membered cyclization?","Organic letters","2006","8","7","1323","1325","10.1021/ol053144x","","","0.7107","MoKα","","","0.035","","","","0.038","","","","","","0.997","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505883","7.31","0.03","10.78","0.02","14.356","0.016","90","","103.2","0.2","90","","1101","5","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C56 H32 S8 -","4","1","","Abdur Rahman, S. M.; Sonoda, Motohiro; Ono, Miyako; Miki, Koji; Tobe, Yoshito","Novel synthesis of bridged phenylthienylethenes and dithienylethenes via Pd-catalyzed double-cyclization reactions of diarylhexadienynes","Organic Letters","2006","8","6","1197","1200","10.1021/ol0600281","","x-ray","0.71073","MoKα","","0.0393","0.0346","","","0.0985","0.1017","","","","","","1.063","","","","has coordinates","218678","2020-10-21","18:00:00",""
"1505884","7.169","0.001","17.422","0.003","17.421","0.002","87.315","0.007","83.118","0.006","83.334","0.007","2144.4","0.5","114.2","","","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H8 S2 -","- C14 H8 S2 -","- C112 H64 S16 -","8","4","","Abdur Rahman, S. M.; Sonoda, Motohiro; Ono, Miyako; Miki, Koji; Tobe, Yoshito","Novel synthesis of bridged phenylthienylethenes and dithienylethenes via Pd-catalyzed double-cyclization reactions of diarylhexadienynes","Organic Letters","2006","8","6","1197","1200","10.1021/ol0600281","","","0.7107","MoKα","","","0.0825","","","","0.2097","","","","","","0.963","","","","has coordinates","218678","2020-10-21","18:00:00",""
"1505885","6.7041","0.0011","12.864","0.002","23.295","0.004","90","","90","","90","","2009","0.6","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05114","(2R,5R,1'R)-2-tert-Butyl-5-(2',2'-dimethyl-1-(2S-carboxy-1-pyrrolidinyl) propyl-1-aza-3-oxabicyclo[3.3.0]octan-4-one (16)","","- C20 H34 N2 O4 -","- C20 H34 N2 O4 -","- C80 H136 N8 O16 -","4","1","","Vartak, Ashish P.; Johnson, Rodney L.","Concerted synthesis of a spirobicyclic type-VI beta-turn mimic of Pro-Pro-Pro-NH2.","Organic letters","2006","8","5","983","986","10.1021/ol0600335","","","0.71073","MoKα","","0.0482","0.0361","","","0.0849","0.0907","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505886","10.1259","0.0009","14.7103","0.0013","14.0452","0.0013","90","","102.284","0.002","90","","2044.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H21 N O3 -","- C26 H21 N O3 -","- C104 H84 N4 O12 -","4","1","","Kong, Aidi; Han, Xiuling; Lu, Xiyan","Highly efficient construction of benzene ring in carbazoles by palladium-catalyzed endo-mode oxidative cyclization of 3-(3'-alkenyl)indoles.","Organic letters","2006","8","7","1339","1342","10.1021/ol060039u","","","0.71073","MoKα","","0.0873","0.0516","","","0.1144","0.1284","","","","","","0.899","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505887","6.02","0.0007","15.08","0.0013","16.371","0.0011","90","","92.672","0.003","90","","1484.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 N2 O5 -","- C14 H18 N2 O5 -","- C56 H72 N8 O20 -","4","1","","Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds.","Organic letters","2006","8","6","1201","1204","10.1021/ol060041l","","","0.71073","MoKα","","0.1566","0.0509","","","0.1108","0.1383","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505888","7.4374","0.0004","8.0243","0.0006","11.3999","0.0015","90","","92.67","0.007","90","","679.61","0.11","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C15 H9 N O6 -","- C15 H9 N O6 -","- C30 H18 N2 O12 -","2","0.5","","Deb, Indubhusan; Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Hydroxyalkylation of conjugated nitroalkenes with activated nonenolizable carbonyl compounds.","Organic letters","2006","8","6","1201","1204","10.1021/ol060041l","","","0.71073","MoKα","","0.0603","0.0412","","","0.1034","0.1126","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505889","13.2968","0.0002","19.1906","0.0003","23.6024","0.0005","90","","97.599","0.001","90","","5969.82","0.18","293","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C57 H60 Cl3 N7 O6 -","- C57 H60 Cl3 N7 O6 -","- C228 H240 Cl12 N28 O24 -","4","1","","Kaewtong, Chatthai; Fuangswasdi, Saowarux; Muangsin, Nongnuj; Chaichit, Narongsak; Vicens, Jacques; Pulpoka, Buncha","Novel C3v-symmetrical N7-Hexahomotriazacalix[3]cryptand: a highly efficient receptor for halide anions.","Organic letters","2006","8","8","1561","1564","10.1021/ol060052e","","","0.71073","MoKα","","","0.1046","","","","0.3769","","","","","","1.004","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505890","16.645","0.002","16.645","0.002","9.0395","0.0018","90","","90","","120","","2168.9","0.6","293","2","293","2","","","","","","","synthesis","5","P 63","P 6c","173","tisphosphoramide 1d","","","- C51 H54 N3 O4 P -","- C51 H54 N3 O4 P -","- C102 H108 N6 O8 P2 -","2","0.333333","","Du, Da-Ming; Fang, Tao; Xu, Jiaxi; Zhang, Shi-Wei","Structurally well-defined, recoverable C3-symmetric tris(beta-hydroxy phosphoramide)-catalyzed enantioselective borane reduction of ketones.","Organic letters","2006","8","7","1327","1330","10.1021/ol0600584","","x-ray","0.71073","MoKα","","0.045","0.0305","","","0.062","0.0645","","","","","","0.798","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505891","15.4671","0.0013","22.6543","0.0018","27.05","0.002","90","","102.299","0.002","90","","9260.7","1.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C102 H36 Cl2 F40 N10 -","- C102 H36 Cl2 F40 N10 -","- C408 H144 Cl8 F160 N40 -","4","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.71073","MoKα","","0.1477","0.0846","","","0.2478","0.2883","","","","","","1.068","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505892","15.209","0.003","22.606","0.004","27.009","0.005","90","","101.382","0.003","90","","9103","3","90","2","90","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C96 H32 Cl4 F40 N10 -","- C96 H32 Cl4 F40 N10 -","- C384 H128 Cl16 F160 N40 -","4","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.71073","MoKα","","0.1135","0.0826","","","0.2235","0.2543","","","","","","1.064","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505893","7.9496","0.0008","12.7043","0.0013","13.1705","0.0013","90","","90","","90","","1330.1","0.2","190","2","190","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 O4 -","- C15 H20 O4 -","- C60 H80 O16 -","4","1","","Shim, Sang Hee; Swenson, Dale C.; Gloer, James B.; Dowd, Patrick F.; Wicklow, Donald T.","Penifulvin A: a sesquiterpenoid-derived metabolite containing a novel dioxa[5,5,5,6]fenestrane ring system from a fungicolous isolate of Penicillium griseofulvum.","Organic letters","2006","8","6","1225","1228","10.1021/ol060107c","","","0.71069","MoKα","","0.0487","0.0355","","","0.0793","0.0842","","","","","","1.098","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505894","7.215","0.001","7.524","0.001","16.782","0.003","90","","92.21","0.03","90","","910.3","0.2","198","2","198","2","","","0","","","","synthetic","4","P 1 21 1","P 2yb","4","","vinylcyclopentan","","- C15 H30 O3 Si -","- C15 H30 O3 Si -","- C30 H60 O6 Si2 -","2","1","","Helmboldt, Hannes; Köhler, Daniel; Hiersemann, Martin","Synthesis of the norjatrophane diterpene (-)-15-acetyl-3-propionyl- 17-norcharaciol.","Organic letters","2006","8","8","1573","1576","10.1021/ol060115t","","x-ray","0.71073","MoKα","","0.049","0.0382","","","0.0964","0.1002","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505895","9.969","0.002","10.816","0.002","11.889","0.003","90","","112.1","0.004","90","","1187.7","0.4","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C8 H13 F3 N2 O S -","- C8 H13 F3 N2 O S -","- C32 H52 F12 N8 O4 S4 -","4","2","","Wang, Hua; Zhao, Xiaoming; Li, Youhua; Lu, Long","Solvent-controlled asymmetric Strecker reaction: stereoselective synthesis of alpha-trifluoromethylated alpha-amino acids.","Organic letters","2006","8","7","1379","1381","10.1021/ol0601186","","","0.71073","MoKα","","0.0694","0.0582","","","0.1399","0.1693","","","","","","0.977","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505896","9.2287","0.0012","8.0025","0.001","10.3705","0.0014","90","","90.623","0.002","90","","765.84","0.17","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C13 H15 F3 N2 O S -","- C13 H15 F3 N2 O S -","- C26 H30 F6 N4 O2 S2 -","2","1","","Wang, Hua; Zhao, Xiaoming; Li, Youhua; Lu, Long","Solvent-controlled asymmetric Strecker reaction: stereoselective synthesis of alpha-trifluoromethylated alpha-amino acids.","Organic letters","2006","8","7","1379","1381","10.1021/ol0601186","","","0.71073","MoKα","","0.037","0.0333","","","0.0749","0.0766","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505897","11.277","0.002","11.841","0.002","19.771","0.003","90","","90","","90","","2640","0.8","293","2","293","2","","","","","","","","3","I b c a","-I 2b 2c","73","","diisopropylammonium benzotriazolate","","- C12 H20 N4 -","- C12 H20 N4 -","- C96 H160 N32 -","8","0.5","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0575","0.0555","","","0.1473","0.1493","","","","","","1.105","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505898","9.087","0.002","21.565","0.003","12.4","0.002","90","","93.37","0.03","90","","2425.7","0.7","293","2","293","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","dicyclohexylammonium benzotriazolate benzotriazole 1:1:1","","- C24 H33 N7 -","- C24 H33 N7 -","- C96 H132 N28 -","4","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0484","0.0396","","","0.1158","0.1232","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505899","14.607","0.003","17.531","0.003","18.792","0.003","90","","103.93","0.06","90","","4670.6","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","dicyclohexylammonium benzotriazolate phenol (1:1:1)","","- C24 H34 N4 O -","- C24 H34 N4 O -","- C192 H272 N32 O8 -","8","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0812","0.0709","","","0.1966","0.2276","","","","","","1.092","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505900","8.717","0.002","21.365","0.003","23.39","0.003","90","","90","","90","","4356.1","1.3","293","2","293","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","cyclopropylammonium benzotriazolate benzotriazole (1:1:2)","","- C21 H22 N10 -","- C21 H22 N10 -","- C168 H176 N80 -","8","1","","Zonta, Cristiano; Crisma, Marco; De Lucchi, Ottorino; Motterle, Riccardo; Serafini, Siro","Benzotriazole complexes with amines and phenol: cooperativity mediated by induction effects in the crystal state.","Organic letters","2006","8","8","1577","1579","10.1021/ol060126m","","","1.54178","CuKα","","0.0664","0.0507","","","0.1518","0.1623","","","","","","1.076","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505901","11.573","0.003","14.732","0.004","17.032","0.005","90","","98.886","0.011","90","","2869","1.4","297.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C31 H34 O8 -","- C31 H34 O8 -","- C124 H136 O32 -","4","1","","Wang, Yan-Guang; Cui, Sun-Liang; Lin, Xu-Feng","A highly selective cascade approach to diverse aromatic ring systems from simple aromatic aldehydes and propiolates.","Organic letters","2006","8","6","1241","1244","10.1021/ol060143b","","","0.71075","MoKα","","","0.0475","","","","0.1218","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505902","14.248","0.003","7.7909","0.0016","22.151","0.005","90","","108.455","0.003","90","","2332.4","0.9","93","2","93","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H28 N2 O5 -","- C25 H28 N2 O5 -","- C100 H112 N8 O20 -","4","1","","Bentley, David J.; Slawin, Alexandra M. Z.; Moody, Christopher J.","Total synthesis of stephanotic acid methyl ester.","Organic letters","2006","8","10","1975","1978","10.1021/ol060153c","","","0.71073","MoKα","","0.0438","0.0368","","","0.0855","0.0902","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505903","13.409","0.002","13.645","0.002","14.854","0.002","90","","103.485","0.002","90","","2642.8","0.7","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","deoxycholate anion receptor1","","","- C45 H60 Br2 Cl6 N4 O8 -","- C45 H60 Br2 Cl6 N4 O8 -","- C90 H120 Br4 Cl12 N8 O16 -","2","1","","Khatri, Vijay K.; Upreti, Shailesh; Pandey, Pramod S.","Novel bile acid-based cyclic bisimidazolium receptors for anion recognition.","Organic letters","2006","8","9","1755","1758","10.1021/ol060168a","","","0.71073","MoKα","","0.0918","0.0687","","","0.1542","0.1633","","","","","","0.973","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505904","27.172","0.005","8.5342","0.0016","23.688","0.004","90","","121.809","0.003","90","","4668","1.5","298","2","298","2","","","","","","","","5","C 1 2 1","C 2y","5","deoxycholate anion receptor2","","","- C43 H60 Br2 N4 O7.5 -","- C43 H60 Br2 N4 O7.5 -","- C172 H240 Br8 N16 O30 -","4","1","","Khatri, Vijay K.; Upreti, Shailesh; Pandey, Pramod S.","Novel bile acid-based cyclic bisimidazolium receptors for anion recognition.","Organic letters","2006","8","9","1755","1758","10.1021/ol060168a","","","0.71073","MoKα","","0.1259","0.0609","","","0.1571","0.1904","","","","","","0.917","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1505905","9.8674","0.0016","11.449","0.003","17.359","0.006","102.14","0.02","105.57","0.02","95.79","0.02","1820.9","0.9","120","2","120","2","","","","","","","Dan Pantos","4","P -1","-P 1","2","","","","- C39.5 H40 N5 O10.5 -","- C39.5 H40 N5 O10.5 -","- C79 H80 N10 O21 -","2","1","","Sessler, Jonathan L.; Pantos, G. Dan; Gale, Philip A.; Light, Mark E.","Synthesis and anion binding properties of N,N'-bispyrrol-2-yl-2,5-diamidopyrrole.","Organic letters","2006","8","8","1593","1596","10.1021/ol060193g","","","0.71073","MoKα","","0.1674","0.0771","","","0.1817","0.224","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505906","18.443","0.008","8.521","0.003","27.694","0.012","90","","105.917","0.007","90","","4185","3","","","","","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C22 H19 Br N2 O2 S -","- C22 H19 Br N2 O2 S -","- C176 H152 Br8 N16 O16 S8 -","8","2","","Jia, Yi-Xia; Xie, Jian-Hua; Duan, Hai-Feng; Wang, Li-Xin; Zhou, Qi-Lin","Asymmetric Friedel-Crafts addition of indoles to N-sulfonyl aldimines: a simple approach to optically active 3-indolyl-methanamine derivatives.","Organic letters","2006","8","8","1621","1624","10.1021/ol0602001","","","","","","0.163","","","","","","","","","","","","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505907","22.88","0.005","25.666","0.006","14.578","0.003","90","","123.552","0.005","90","","7134","3","173","2","173","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Cl2 Hg N4 O12 S2 -","- C32 H32 Cl2 Hg N4 O12 S2 -","- C256 H256 Cl16 Hg8 N32 O96 S16 -","8","1","","Lee, Soo Jin; Jung, Jong Hwa; Seo, Joobeom; Yoon, Il; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","A chromogenic macrocycle exhibiting cation-selective and anion-controlled color change: an approach to understanding structure-color relationships.","Organic letters","2006","8","8","1641","1643","10.1021/ol0602405","","","0.71073","MoKα","","0.2073","0.0622","","","0.1254","0.1982","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505908","11.3042","0.0011","36.375","0.004","8.3764","0.0008","90","","100.603","0.002","90","","3385.5","0.6","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C32 H32 Hg I2 N4 O4 S2 -","- C32 H32 Hg I2 N4 O4 S2 -","- C128 H128 Hg4 I8 N16 O16 S8 -","4","1","","Lee, Soo Jin; Jung, Jong Hwa; Seo, Joobeom; Yoon, Il; Park, Ki-Min; Lindoy, Leonard F.; Lee, Shim Sung","A chromogenic macrocycle exhibiting cation-selective and anion-controlled color change: an approach to understanding structure-color relationships.","Organic letters","2006","8","8","1641","1643","10.1021/ol0602405","","","0.71073","MoKα","","0.0734","0.0435","","","0.1063","0.1283","","","","","","1.124","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1505909","23.964","0.009","6.054","0.002","11.16","0.004","90","","90","","90","","1619.1","1","218","2","218","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C22 H14 N4 -","- C22 H14 N4 -","- C88 H56 N16 -","4","1","","Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak","Photodimerizable ditopic ligand.","Organic letters","2006","8","10","1987","1990","10.1021/ol060253i","","","0.71073","MoKα","","0.0425","0.0383","","","0.094","0.0966","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505910","8.3433","0.0009","12.0224","0.0013","15.8306","0.0018","90","","98.373","0.002","90","","1571","0.3","208","2","208","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 N8 -","- C44 H28 N8 -","- C88 H56 N16 -","2","0.5","","Jouvenot, Damien; Glazer, Edith C.; Tor, Yitzhak","Photodimerizable ditopic ligand.","Organic letters","2006","8","10","1987","1990","10.1021/ol060253i","","","0.71073","MoKα","","0.0766","0.0547","","","0.1452","0.1607","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505911","21.326","0.005","21.2","0.005","23.53","0.005","90","0.005","111.92","0.005","90","0.005","9869","4","153","2","153","2","","","","","","","synthesis as described","3","P 1 21/a 1","-P 2yab","14","","","","- C151 H80 O10 -","- C151 H80 O10 -","- C604 H320 O40 -","4","1","","Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi","Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60.","Organic letters","2006","8","7","1463","1466","10.1021/ol060282t","","x-ray","0.71069","MoKα","","0.1976","0.1211","","","0.291","0.3447","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505912","14.443","","16.347","","17.597","","76.19","","75.68","","70.01","","3728.43","","153","2","153","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","C60C6H4COOEt5Me","","- C113 H56 O10 -","- C113 H56 O10 -","- C226 H112 O20 -","2","1","","Zhong, Yu-Wu; Matsuo, Yutaka; Nakamura, Eiichi","Convergent synthesis of a polyfunctionalized fullerene by regioselective five-fold addition of a functionalized organocopper reagent to C60.","Organic letters","2006","8","7","1463","1466","10.1021/ol060282t","","x-ray","0.71073","MoKα","","0.1852","0.1439","","","0.3778","0.4211","","","","","","1.476","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505913","10.585","0.004","12.668","0.004","9.841","0.004","97.61","0.03","99.46","0.03","92.88","0.03","1286.7","0.8","298.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C56 H76 O8 -","- C56 H76 O8 -","- C56 H76 O8 -","1","0.5","","Sawada, Tsuyoshi; Nishiyama, Yousuke; Tabuchi, Wataru; Ishikawa, Makoto; Tsutsumi, Emi; Kuwahara, Yutaka; Shosenji, Hideto","Novel calixarene hemisphere synthesized via pinacol rearrangement of [2.1.2.1]metacyclophane.","Organic letters","2006","8","10","1995","1997","10.1021/ol060286y","","","0.7107","MoKα","","","0.071","","","","0.226","","","","","","1.04","","","","has coordinates,has disorder","295947","2024-11-15","22:25:05",""
"1505914","11.365","0.005","21.338","0.006","16.49","0.02","90","","90","","90","","3999","5","298.1","","","","","","","","","","","4","P n m a","-P 2ac 2n","62","","","","- C48 H55 N O4 -","- C48 H55 N O4 -","- C192 H220 N4 O16 -","4","0.5","","Sawada, Tsuyoshi; Nishiyama, Yousuke; Tabuchi, Wataru; Ishikawa, Makoto; Tsutsumi, Emi; Kuwahara, Yutaka; Shosenji, Hideto","Novel calixarene hemisphere synthesized via pinacol rearrangement of [2.1.2.1]metacyclophane.","Organic letters","2006","8","10","1995","1997","10.1021/ol060286y","","","0.7107","MoKα","","","0.077","","","","0.244","","","","","","0.994","","","","has coordinates,has disorder","295947","2024-11-15","22:25:06",""
"1505915","9.9905","0.0011","10.8313","0.0012","16.1426","0.0019","90","","99.003","0.003","90","","1725.3","0.3","143","1","143","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H53 N O4 -","- C40 H53 N O4 -","- C80 H106 N2 O8 -","2","1","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. Construction of the heptacyclic core of (-)-nodulisporic acid D.","Organic letters","2006","8","8","1669","1672","10.1021/ol0602912","","","0.71069","MoKα","","0.0683","0.0409","","","0.0845","0.095","","","","","","0.811","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505916","6.1276","0.0003","12.1417","0.0006","15.6434","0.0008","109.99","0.002","95.395","0.002","95.643","0.002","1078.26","0.09","143","1","143","1","","","","","","","","5","P 1","P 1","1","","","","- C25 H24 Br N O3 -","- C25 H24 Br N O3 -","- C50 H48 Br2 N2 O6 -","2","2","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. Construction of the heptacyclic core of (-)-nodulisporic acid D.","Organic letters","2006","8","8","1669","1672","10.1021/ol0602912","","","0.71073","MoKα","","0.0609","0.0539","","","0.137","0.143","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505917","6.1395","0.0009","23.287","0.003","11.4789","0.0017","90","","101.384","0.002","90","","1608.9","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 O3 S -","- C18 H20 O3 S -","- C72 H80 O12 S4 -","4","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.064","0.0482","","","0.1032","0.1109","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505918","18.387","0.012","8.174","0.005","26.538","0.018","90","","96.093","0.012","90","","3966","4","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C184 H176 O24 S8 -","8","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.0747","0.0599","","","0.1613","0.1709","","","","","","1.048","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505919","9.1854","0.0012","9.9315","0.0013","21.382","0.003","90","","94.101","0.002","90","","1945.6","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 O3 S -","- C23 H22 O3 S -","- C92 H88 O12 S4 -","4","1","","Min, Jae-Hong; Jung, Se-Young; Wu, Bo; Oh, Jung Taek; Lah, Myoung Soo; Koo, Sangho","Origin of the diastereoselection in the indium-mediated addition of haloallylic sulfones to aldehydes.","Organic letters","2006","8","7","1459","1462","10.1021/ol060297r","","","0.71073","MoKα","","0.0743","0.0479","","","0.1165","0.1287","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505920","9.754","0.002","12.086","0.002","13.614","0.003","90","","90","","90","","1604.9","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 F N O5 -","- C16 H18 F N O5 -","- C64 H72 F4 N4 O20 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0435","0.0357","","","0.0935","0.0981","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505921","9.6137","0.0019","11.512","0.002","13.536","0.003","90","","90","","90","","1498.1","0.5","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H18 F N O4 -","- C16 H18 F N O4 -","- C64 H72 F4 N4 O16 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0668","0.038","","","0.0704","0.0777","","","","","","0.952","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505922","6.3666","0.0004","15.3404","0.0009","17.1852","0.0013","90","","90","","90","","1678.41","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C72 H84 N4 O16 -","4","1","","Ting, Amal; Lou, Sha; Schaus, Scott E.","Highly diastereoselective asymmetric Mannich reactions of 1,3-dicarbonyls with acyl imines.","Organic letters","2006","8","10","2003","2006","10.1021/ol060304b","","","0.71073","MoKα","","0.0455","0.0331","","","0.0785","0.0835","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505923","6.0083","0.0004","19.6711","0.0014","18.7067","0.0013","90","","97.123","0.001","90","","2193.9","0.3","193","2","193","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C28 H24 O2 -","- C28 H24 O2 -","- C112 H96 O8 -","4","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.0503","0.0371","","","0.094","0.1035","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505924","25.1768","0.0018","11.7431","0.0008","20.5459","0.0015","90","","105.89","0.0012","90","","5842.4","0.7","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34.5 H39 Cl O4 -","- C34.5 H39 Cl O4 -","- C276 H312 Cl8 O32 -","8","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.101","0.069","","","0.1983","0.2255","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505925","18.1743","0.0016","14.9401","0.0013","17.2589","0.0015","90","","95.7046","0.0012","90","","4663","0.7","193","2","193","2","","","","","","","","3","I 1 2/a 1","-I 2ya","15","","","","- C29 H23 Cl3 -","- C29 H23 Cl3 -","- C232 H184 Cl24 -","8","1","","Chung, Mee-Kyung; Qi, Guizhong; Stryker, Jeffrey M.","Synthesis of sterically hindered ortho-substituted tetraphenylethenes. Electronic effects in the McMurry olefination reaction.","Organic letters","2006","8","7","1491","1494","10.1021/ol060318h","","","0.71073","MoKα","","0.0581","0.0401","","","0.101","0.1117","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505926","16.9495","0.0009","15.8806","0.0009","20.9138","0.0012","90","","105.999","0.001","90","","5411.3","0.5","200","2","200","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F6 N2 O5 Pd -","- C25 H26 F6 N2 O5 Pd -","- C200 H208 F48 N16 O40 Pd8 -","8","2","","Rogers, Michelle M.; Wendlandt, Johanna E.; Guzei, Ilia A.; Stahl, Shannon S.","Aerobic intramolecular oxidative amination of alkenes catalyzed by NHC-coordinated palladium complexes.","Organic letters","2006","8","11","2257","2260","10.1021/ol060327q","","","0.71073","MoKα","","0.0682","0.0493","","","0.1304","0.1526","","","","","","0.958","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505927","9.129","0.006","12.031","0.003","9.871","0.007","90","","102.28","0.03","90","","1059.3","1.1","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H24 N4 O7 -","- C20 H24 N4 O7 -","- C40 H48 N8 O14 -","2","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.0705","0.0653","","","0.1671","0.1721","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505928","24.997","0.005","8.6063","0.0009","19.087","0.004","90","","111.239","0.008","90","","3827.3","1.2","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H22 N2 O5 -","- C20 H22 N2 O5 -","- C160 H176 N16 O40 -","8","2","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.1951","0.0835","","","0.1978","0.2568","","","","","","1.012","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505929","16.0866","0.0008","17.8033","0.001","7.1185","0.0004","90","","90","","90","","2038.7","0.19","298","2","298","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C22 H18 N2 O6 -","- C22 H18 N2 O6 -","- C88 H72 N8 O24 -","4","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","0.71069","MoKα","","0.1443","0.0534","","","0.1173","0.1467","","","","","","0.814","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505930","10.6889","0.0019","7.5335","0.0016","22.998","0.004","90","","101.875","0.009","90","","1812.3","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","König, Hannah M; Abbel, Robert; Schollmeyer, Dieter; Kilbinger, Andreas F. M.","Solid-phase synthesis of oligo(p-benzamide) foldamers.","Organic letters","2006","8","9","1819","1822","10.1021/ol0603357","","","1.54178","CuKα","","0.0663","0.056","","","0.1565","0.1664","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505931","7.8657","0.0005","9.0257","0.0005","9.668","0.0006","64.462","0.004","75.228","0.003","74.537","0.004","589.1","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C12 H11 Br N2 O2 -","- C12 H11 Br N2 O2 -","- C24 H22 Br2 N4 O4 -","2","1","","Krasnova, Larissa B.; Yudin, Andrei K.","Highly regioselective transformation of alkenyl bromides into alpha-bromoaziridines and alpha-bromohydrazones.","Organic letters","2006","8","10","2011","2014","10.1021/ol060336z","","","0.71073","MoKα","","0.0476","0.0362","","","0.0819","0.087","","","","","","1.033","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505932","10.8414","0.0008","10.9897","0.0006","11.1654","0.0006","82.275","0.003","80.529","0.003","63.336","0.003","1169.84","0.13","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H29 N O4 S -","- C26 H29 N O4 S -","- C52 H58 N2 O8 S2 -","2","1","","England, Dylan B.; Magolan, Jakob; Kerr, Michael A.","Synthesis of the western half of the lolicines and lolitrems.","Organic letters","2006","8","11","2209","2212","10.1021/ol060338j","","","0.71073","MoKα","","0.0973","0.0524","","","0.1292","0.1473","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505933","15.362","0.002","10.6888","0.0014","16.338","0.002","90","","92.15","0.002","90","","2680.8","0.6","294","2","294","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C55.5 H53 B Cl3 F4 O6 P2 Rh -","- C55.5 H53 B Cl3 F4 O6 P2 Rh -","- C111 H106 B2 Cl6 F8 O12 P4 Rh2 -","2","1","","Duan, Hai-Feng; Xie, Jian-Hua; Shi, Wen-Jian; Zhang, Qi; Zhou, Qi-Lin","Enantioselective rhodium-catalyzed addition of arylboronic acids to aldehydes using chiral spiro monophosphite ligands.","Organic letters","2006","8","7","1479","1481","10.1021/ol060360c","","","0.71073","MoKα","","0.088","0.0494","","","0.1137","0.132","","","","","","1.028","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505934","7.3633","0.0003","12.2983","0.0005","32.9857","0.0014","90","","90","","90","","2987.1","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H49 N O5 -","- C31.014 H49 N O5 -","- C124.056 H196 N4 O20 -","4","1","","Nichols, Paul J.; Demattei, John A.; Barnett, Bradley R.; Lefur, Nicole A.; Chuang, Tsung-Hsun; Piscopio, Anthony D.; Koch, Kevin","Preparation of pyrrolidine-based PDE4 inhibitors via enantioselective conjugate addition of alpha-substituted malonates to aromatic nitroalkenes.","Organic letters","2006","8","7","1495","1498","10.1021/ol060398p","","","0.71073","MoKα","","0.1544","0.1017","","","0.2608","0.2973","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505935","15.4115","0.0017","15.2733","0.0017","15.5755","0.0018","90","","101.178","0.002","90","","3596.7","0.7","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H22 O3 -","- C22 H22 O3 -","- C176 H176 O24 -","8","1","","Yang, Yong-Hua; Shi, Min","A stereoselective synthetic route to 1,6-Dioxaspiro[4.4]non-3-en-2-ones from cyclopropyl alkyl ketones and alpha-ketoesters.","Organic letters","2006","8","8","1709","1712","10.1021/ol060415a","","","0.71073","MoKα","","0.0762","0.0526","","","0.1355","0.1451","","","","","","0.902","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505936","7.005","0.002","9.105","0.003","16.371","0.006","90","","93.84","0.01","90","","1041.8","0.6","123.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H24 N2 O9 -","- C21 H24 N2 O9 -","- C42 H48 N4 O18 -","2","1","","Noguchi, Naoyoshi; Nakada, Masahisa","Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.","Organic letters","2006","8","10","2039","2042","10.1021/ol060437x","","","0.7107","MoKα","","","0.032","","","","0.074","","","","","","1.02","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505937","7.5306","0.0004","13.0421","0.0007","15.3021","0.001","90","","91.971","0.004","90","","1502","0.15","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H46 O4 Si -","- C32 H31 O4 Si -","- C64 H62 O8 Si2 -","2","1","","Noguchi, Naoyoshi; Nakada, Masahisa","Synthetic studies on (+)-ophiobolin A: asymmetric synthesis of the spirocyclic CD-ring moiety.","Organic letters","2006","8","10","2039","2042","10.1021/ol060437x","","","1.54187","CuKα","","","0.0651","","","","0.1858","","","","","","1.066","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1505938","12.3934","0.0015","22.795","0.003","17.545","0.002","90","","102.413","0.002","90","","4840.7","1","294","2","294","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C100 H114 F12 N4 O16 P2 -","- C100 H114 F12 N4 O16 P2 -","- C200 H228 F24 N8 O32 P4 -","2","0.5","","Zong, Qian-Shou; Zhang, Chun; Chen, Chuan-Feng","Self-assembly of triptycene-based cylindrical macrotricyclic host with dibenzylammonium ions: construction of dendritic [3]pseudorotaxanes.","Organic letters","2006","8","9","1859","1862","10.1021/ol0604419","","","0.71073","MoKα","","0.1895","0.0905","","","0.242","0.3246","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505939","9.202","0.002","8.4447","0.0019","27.273","0.006","90","","93.76","0.005","90","","2114.8","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O7 -","- C19 H23 N3 O7 -","- C76 H92 N12 O28 -","4","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.1126","0.0685","","","0.183","0.2126","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505940","9.368","0.004","11.046","0.004","12.816","0.005","103.806","0.006","99.468","0.006","99.592","0.007","1240.6","0.8","293","2","273","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H18 N2 O5 -","- C25 H18 N2 O5 -","- C50 H36 N4 O10 -","2","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.174","0.1291","","","0.3764","0.4151","","","","","","1.485","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505941","9.606","0.007","10.722","0.008","11.989","0.009","71.178","0.013","71.546","0.016","64.928","0.014","1035.1","1.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N2 O5 -","- C20 H26 N2 O5 -","- C40 H52 N4 O10 -","2","1","","Nair, Vijay; Biju, A. T.; Mohanan, Kishor; Suresh, Eringathodi","Novel synthesis of highly functionalized pyrazolines and pyrazoles by triphenylphosphine-mediated reaction of dialkyl azodicarboxylate with allenic esters.","Organic letters","2006","8","11","2213","2216","10.1021/ol0604623","","","0.71073","MoKα","","0.1561","0.0778","","","0.1829","0.2272","","","","","","0.974","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505942","7.4379","0.001","11.1077","0.0014","13.6905","0.0017","90","","102.016","0.002","90","","1106.3","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C48 H54 N2 O12 -","2","1","","Reddy, Leleti Rajender; Corey, E. J.","Novel bicyclization reaction leading to a fused beta-lactone.","Organic letters","2006","8","8","1717","1719","10.1021/ol060464n","","","0.71073","MoKα","","0.0425","0.0393","","","0.0957","0.0977","","","","","","1.065","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505943","11.4155","0.0016","20.035","0.003","25.895","0.004","90","","93.774","0.003","90","","5909.6","1.5","150","","150","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 Br2 O5 Si -","- C29 H34 Br2 O5 Si -","- C232 H272 Br16 O40 Si8 -","8","2","","Okamoto, Noriko; Sasaki, Michiko; Kawahata, Masatoshi; Yamaguchi, Kentaro; Takeda, Kei","Epoxysilane rearrangement induced by a carbanion generated by conjugate addition of enolates of chloroacetate and alpha-chloroacetamides: formation of functionalized cyclopropane derivatives.","Organic letters","2006","8","9","1889","1891","10.1021/ol060469k","","","0.71073","MoKα","","0.2047","0.0592","","","0.124","0.1809","","","","","","0.927","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505944","18.011","0.005","18.011","0.005","14.279","0.008","90","","90","","90","","4632","3","193","2","193","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C192 H240 N16 O32 -","16","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0518","0.036","","","0.0835","0.0925","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505945","5.3345","0.0009","15.737","0.002","17.134","0.003","90","","90","","90","","1438.4","0.4","193","2","193","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H17 N O4 S -","- C13 H17 N O4 S -","- C52 H68 N4 O16 S4 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0526","0.0394","","","0.0708","0.0752","","","","","","0.801","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505946","24.869","0.014","11.816","0.007","8.085","0.005","90","","103.348","0.011","90","","2312","2","193","2","193","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C96 H120 N8 O16 -","8","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0433","0.0355","","","0.0887","0.0937","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505947","8.4101","0.0017","8.6372","0.0018","20.288","0.004","90","","90","","90","","1473.7","0.5","273","2","273","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H17 N O2 -","- C17 H17 N O2 -","- C68 H68 N4 O8 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0992","0.0954","","","0.1676","0.1688","","","","","","1.398","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505948","8.523","0.002","9.314","0.002","17.357","0.004","90","","97.879","0.005","90","","1364.8","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H19 N O2 -","- C14 H19 N O2 -","- C56 H76 N4 O8 -","4","2","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.0641","0.0473","","","0.0957","0.1065","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505949","8.4676","0.0015","10.3486","0.0019","18.041","0.003","90","","90","","90","","1580.9","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 -","- C18 H19 N O3 -","- C72 H76 N4 O12 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.1014","0.0867","","","0.1285","0.132","","","","","","1.4","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505950","8.6105","0.0016","9.7462","0.0018","18.86","0.003","90","","90","","90","","1582.7","0.5","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O2 -","- C18 H19 N O2 -","- C72 H76 N4 O8 -","4","1","","Evans, David A.; Aye, Yimon; Wu, Jimmy","Asymmetric, anti-selective scandium-catalyzed Sakurai additions to glyoxyamide. Applications to the syntheses of N-boc D-alloisoleucine and D-isoleucine.","Organic letters","2006","8","10","2071","2073","10.1021/ol0604771","","","0.71073","MoKα","","0.074","0.0723","","","0.1307","0.1314","","","","","","1.429","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505951","13.342","0.003","9.981","0.003","16.534","0.004","90","","94.778","0.004","90","","2194.1","1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C24 H19 O8 -","- C24 H19 O8 -","- C96 H76 O32 -","4","1","","Muthusamy, Sengodagounder; Gnanaprakasam, Boopathy; Suresh, Eringathodi","Desymmetrization of cyclic anhydrides using dihydroxy compounds: selective synthesis of macrocyclic tetralactones.","Organic letters","2006","8","9","1913","1916","10.1021/ol060509k","","","0.71073","MoKα","","0.137","0.1286","","","0.3586","0.3634","","","","","","1.139","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505952","10.4391","0.0019","11.314","0.002","17.157","0.003","83.844","0.003","85.99","0.003","63.167","0.003","1797.2","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C H O -","- C1.5477 H1.69811 O0.226943 -","- C82.028 H90 O12.028 -","53","26.5","","Chawla, H. M.; Pant, N.; Srivastava, Bindu; Upreti, Shailesh","Convenient direct synthesis of bisformylated calix[4]arenes via ipso substitution.","Organic letters","2006","8","11","2237","2240","10.1021/ol0605124","","","0.71073","MoKα","","0.1049","0.0912","","","0.2212","0.2375","","","","","","1.244","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505953","10.4391","0.0019","11.314","0.002","17.157","0.003","83.844","0.003","85.99","0.003","63.167","0.003","1797.2","0.6","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C41 H45 O6 -","- C41 H45 O6 -","- C82 H90 O12 -","2","1","","Chawla, H. M.; Pant, N.; Srivastava, Bindu; Upreti, Shailesh","Convenient direct synthesis of bisformylated calix[4]arenes via ipso substitution.","Organic letters","2006","8","11","2237","2240","10.1021/ol0605124","","","0.71073","MoKα","","0.1049","0.0912","","","0.2212","0.2375","","","","","","1.244","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505954","10.4474","0.0007","13.7791","0.001","23.7993","0.0016","90","","90","","90","","3426","0.4","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C18 H24 O3 S -","- C18 H24 O3 S -","- C144 H192 O24 S8 -","8","1","","Chen, Wenbo; Zhao, Xiaoming; Lu, Long; Cohen, Theodore","2-Phenylthio-3-bromopropene, a valuable synthon, easily prepared by a simple rearrangement.","Organic letters","2006","8","10","2087","2090","10.1021/ol0605171","","","0.71073","MoKα","","0.0932","0.0554","","","0.1333","0.1523","","","","","","0.965","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505955","8.793","0.001","10.789","0.001","16.09","0.001","109.16","0.01","90.96","0.01","112.66","0.01","1312.5","0.3","223","2","223","2","","","","","","","","6","P 1","P 1","1","","","","- C54 H67 N2 O10 P S2 -","- C54 H67 N2 O10 P S2 -","- C54 H67 N2 O10 P S2 -","1","1","","Wünnemann, Stefan; Fröhlich, Roland; Hoppe, Dieter","3,3'-oxazolidinyl-substituted 2,2'-biphenyldiols: novel tropos ligands with a large induction on the chiral axis.","Organic letters","2006","8","12","2455","2458","10.1021/ol060528u","","","1.54178","CuKα","","0.0821","0.0689","","","0.1754","0.1903","","","","","","1.048","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505956","7.9018","0.0007","13.9786","0.0014","12.2708","0.0011","90","","100.951","0.005","90","","1330.7","0.2","150","","150","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H38 N2 O4 S Si -","- C25 H38 N2 O4 S Si -","- C50 H76 N4 O8 S2 Si2 -","2","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.077","0.044","","","0.075","0.082","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505957","12.0695","0.0007","7.0753","0.0002","18.1535","0.0011","90","","100.805","0.004","90","","1522.74","0.14","150","","150","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C54 H96 O8 S2 Si4 -","2","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.072","0.047","","","0.088","0.097","","","","","","1.056","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505958","8.064","0.0001","14.0827","0.0002","28.0965","0.0006","90","","90","","90","","3190.72","0.09","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.068","0.037","","","0.075","0.084","","","","","","0.959","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505959","10.3367","0.0008","10.7685","0.0007","28.627","0.002","90","","90","","90","","3186.5","0.4","150","","150","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H48 O4 S Si2 -","- C27 H48 O4 S Si2 -","- C108 H192 O16 S4 Si8 -","4","1","","El-Awa, Ahmad; Fuchs, Philip","Double lawton SN2'addition to epoxyvinyl sulfones: selective construction of the stereotetrads of aplyronine A.","Organic letters","2006","8","14","2905","2908","10.1021/ol060530l","","","0.71073","MO-Kα","","0.112","0.097","","","0.205","0.216","","","","","","1.095","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505960","6.4828","0.0014","8.2179","0.0016","20.787","0.005","90","","94.519","0.013","90","","1104","0.4","273","2","273","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H18 O3 -","- C12 H18 O3 -","- C48 H72 O12 -","4","1","","Kong, Ke; Romo, Daniel","Diastereoselective, vinylogous mukaiyama aldol additions of silyloxy furans to cyclic ketones: annulation of butenolides and gamma-lactones.","Organic letters","2006","8","14","2909","2912","10.1021/ol060534q","","","1.54178","CuKα","","0.0544","0.047","","","0.1114","0.1163","","","","","","1.079","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505961","11.594","0.002","9.74","0.0019","13.117","0.003","90","","111.1","0.03","90","","1381.9","0.6","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H34 O17 -","- C23 H34 O17 -","- C46 H68 O34 -","2","1","","Li, Xiao-Li; Cheng, Xiao; Yang, Liu-Meng; Wang, Rui-Rui; Zheng, Yong-Tang; Xiao, Wei-Lie; Zhao, Yu; Xu, Gang; Lu, Yang; Chang, Ying; Zheng, Qi-Tai; Zhao, Qin-Shi; Sun, Han-Dong","Dichotomains A and B: two new highly oxygenated phenolic derivatives from Dicranopteris dichotoma.","Organic letters","2006","8","9","1937","1940","10.1021/ol060535i","","","0.71073","MoKα","","0.0922","0.0874","","","0.1777","0.1815","","","","","","1.231","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505962","11.654","0.003","10.754","0.003","15.597","0.004","90","0.001","107.367","0.0011","90","0.001","1865.6","0.9","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C46 H54 B2 N2 -","- C46 H54 B2 N2 -","- C92 H108 B4 N4 -","2","0.5","","Agou, Tomohiro; Kobayashi, Junji; Kawashima, Takayuki","Syntheses, structure, and optical properties of ladder-type fused azaborines.","Organic letters","2006","8","11","2241","2244","10.1021/ol060539n","","","0.7107","MoKα","","0.0393","0.0377","","","0.0947","0.0961","","","","","","1.047","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505963","8.856","0.005","19.688","0.012","9.065","0.005","90","","98.531","0.009","90","","1563.1","1.6","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0827","0.056","","","0.154","0.1713","","","","","","1.094","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505964","9.6295","0.0009","10.5087","0.001","15.1393","0.0014","90","","105.982","0.002","90","","1472.8","0.2","292","2","292","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 O2 S -","- C17 H14 O2 S -","- C68 H56 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0509","0.0428","","","0.1187","0.125","","","","","","1.057","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505965","16.0885","0.0017","9.0949","0.001","11.4633","0.0012","90","","104.433","0.002","90","","1624.4","0.3","292","2","292","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H12 Cl2 O2 S -","- C17 H12 Cl2 O2 S -","- C68 H48 Cl8 O8 S4 -","4","1","","Yin, Guodong; Zhou, Baohan; Meng, Xianggao; Wu, Anxin; Pan, Yuanjiang","Efficient C-C double-bond formation reaction via a new synthetic strategy: a self-sorting tandem reaction.","Organic letters","2006","8","11","2245","2248","10.1021/ol060541e","","","0.71073","MoKα","","0.0535","0.0408","","","0.0983","0.1053","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505966","7.6288","0.0013","27.022","0.005","10.6632","0.0018","90","","108.022","0.003","90","","2090.3","0.6","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H25 N O3 -","- C25 H25 N O3 -","- C100 H100 N4 O12 -","4","1","","Jeong, Jeannie H.; Weinreb, Steven M.","Formal total synthesis of the cytotoxic marine ascidian alkaloid haouamine A.","Organic letters","2006","8","11","2309","2312","10.1021/ol060556c","","","0.71073","MoKα","","0.0938","0.0632","","","0.1288","0.1398","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505967","7.704","0.0006","20.7495","0.0017","11.3041","0.0009","90","","97.818","0.001","90","","1790.2","0.2","295","2","295","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C27 H20 -","- C27 H20 -","- C108 H80 -","4","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0757","0.0518","","","0.1375","0.154","","","","","","1.033","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505968","7.9584","0.0006","11.0098","0.0009","11.1684","0.0009","69.002","0.001","83.187","0.001","84.371","0.001","905.51","0.12","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C28 H20 -","- C28 H20 -","- C56 H40 -","2","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0651","0.0533","","","0.1504","0.1612","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505969","9.9891","0.0011","9.0635","0.0011","19.991","0.002","90","","103.081","0.002","90","","1762.9","0.3","295","2","295","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 -","- C27 H18 -","- C108 H72 -","4","1","","Kim, Daehwan; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of bowl-shaped polycyclic aromatic hydrocarbons via palladium-catalyzed intramolecular arylation reactions.","Organic letters","2006","8","11","2313","2316","10.1021/ol0605676","","","0.71073","MoKα","","0.0936","0.0596","","","0.1463","0.1701","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505970","4.9719","0.0009","14.74","0.003","26.89","0.005","90","","90","","90","","1970.7","0.6","193","2","193","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O -","- C25 H24 N2 O -","- C100 H96 N8 O4 -","4","1","","Evans, David A.; Fandrick, Keith R.","Catalytic enantioselective pyrrole alkylations of alpha,beta-unsaturated 2-acyl imidazoles.","Organic letters","2006","8","11","2249","2252","10.1021/ol060576e","","","0.71073","MoKα","","0.0843","0.0588","","","0.0786","0.0849","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505971","6.9889","0.001","12.7368","0.0019","14.102","0.002","114.04","0.002","99.928","0.003","93.764","0.002","1116.3","0.3","163","2","163","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H35 N O2 Si2 -","- C20 H35 N O2 Si2 -","- C40 H70 N2 O4 Si4 -","2","1","","Romero, Antonio; Woerpel, K. A.","Stereoselective synthesis of highly substituted gamma-lactams by the [3+2] annulation of alpha-siloxy allylic silanes with chlorosulfonyl isocyanate.","Organic letters","2006","8","10","2127","2130","10.1021/ol060596g","","","0.71073","MoKα","","0.0407","0.0328","","","0.0815","0.0892","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505972","8.194","0.002","8.643","0.003","14.789","0.004","75.358","0.005","83.355","0.005","63.325","0.004","905.5","0.5","168","2","168","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H29 N O Si -","- C18 H29 N O Si -","- C36 H58 N2 O2 Si2 -","2","1","","Romero, Antonio; Woerpel, K. A.","Stereoselective synthesis of highly substituted gamma-lactams by the [3+2] annulation of alpha-siloxy allylic silanes with chlorosulfonyl isocyanate.","Organic letters","2006","8","10","2127","2130","10.1021/ol060596g","","","0.71073","MoKα","","0.1231","0.1111","","","0.3022","0.3092","","","","","","1.101","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505973","11.126","0.014","12.092","0.009","8.986","0.005","90","","90","","90","","1208.9","1.9","140","1","140","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 5","","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71073","Mo-Kα","","0.0542","0.054","","","0.1276","0.1279","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505974","8.9878","0.0019","11.288","0.004","12.302","0.003","90","","90","","90","","1248.1","0.6","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","Compound 7","","","- C12 H14 I N O -","- C12 H14 I N O -","- C48 H56 I4 N4 O4 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71069","Mo-Kα","","0.0174","0.0167","","","0.0416","0.0418","","","","","","1.119","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505975","14.231","0.0004","8.0976","0.0003","15.67","0.0004","90","","116.428","0.0016","90","","1617.05","0.09","293","2","120","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","Compound 3","","","- C16 H18 I N O2 -","- C16 H18 I N O2 -","- C64 H72 I4 N4 O8 -","4","1","","McDermott, Michael C.; Stephenson, G. Richard; Hughes, David L.; Walkington, Andrew J.","Intramolecular asymmetric Heck reactions: evidence for dynamic kinetic resolution effects.","Organic letters","2006","8","14","2917","2920","10.1021/ol0606132","","","0.71073","MoKα","","0.0446","0.036","","","0.1012","0.1071","","","","","","1.122","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505976","11.487","0.004","11.553","","20.483","0.007","90","","90","","90","","2718.3","1.3","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C25 H32 Cl2 N2 O5 -","- C25 H32 Cl2 N2 O5 -","- C100 H128 Cl8 N8 O20 -","4","1","","Cho, Ji Young; Kwon, Hak Cheol; Williams, Philip G.; Jensen, Paul R.; Fenical, William","Azamerone, a terpenoid phthalazinone from a marine-derived bacterium related to the genus Streptomyces (Actinomycetales).","Organic letters","2006","8","12","2471","2474","10.1021/ol060630r","","","0.71073","MoKα","","0.0703","0.0507","","","0.1199","0.1294","","","","","","1.077","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505977","12.499","0.004","12.818","0.004","24.388","0.008","90","","104.85","","90","","3777","2","173","2","173","2","","","","","","","synthesized","6","P 1 21/n 1","-P 2yn","14","bisimpyrcuclo4bindingpyridine2aldehyde","","","- C35 H36 Cl2 Cu N6 O12 -","- C35 H36 Cl2 Cu N6 O12 -","- C140 H144 Cl8 Cu4 N24 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0587","0.0473","","","0.1258","0.1364","","","","","","1.03","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505978","29.974","0.005","7.5925","0.0011","32.831","0.007","90","","115.893","0.002","90","","6722","2","173","2","173","2","","","","","","","synthesized","6","I 1 a 1","I -2ya","9","bisimidazolepyridinecudimer","","","- C70 H73 Cl2 Cu N13 O12 -","- C66 H68.5 Cl2 Cu N12.5 O12 -","- C264 H274 Cl8 Cu4 N50 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0693","0.0578","","","0.1681","0.1762","","","","","","1.069","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505979","9.7166","0.0018","10.7129","0.0019","17.105","0.003","74.833","0.003","81.818","0.003","85.861","0.003","1699.9","0.5","173","2","173","2","","","","","","","synthesized","6","P -1","-P 1","2","Bisimadazole copper perchlorate acetone","","","- C32 H35 Cl2 Cu N5 O11 -","- C32 H35 Cl2 Cu N5 O11 -","- C64 H70 Cl4 Cu2 N10 O22 -","2","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.0444","0.0391","","","0.1062","0.1108","","","","","","1.044","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505980","10.84","0.003","33.593","0.009","10.848","0.003","90","","93.378","0.005","90","","3943.4","1.9","173","2","173","2","","","","","","","Synthesized","6","P 1 21/c 1","-P 2ybc","14","BisimidazoleCupperpyridineperchlorate","","","- C37 H42 Cl2 Cu N6 O12 -","- C37 H40 Cl2 Cu N6 O12 -","- C148 H160 Cl8 Cu4 N24 O48 -","4","1","","Plante, Jeffrey P.; Glass, Timothy E.","Shape-selective fluorescent sensing ensemble using a tweezer-type metalloreceptor.","Organic letters","2006","8","10","2163","2166","10.1021/ol060641k","","x-ray","0.71073","MoKα","","0.1399","0.0529","","","0.1146","0.148","","","","","","1.002","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505981","7.4101","0.0002","10.279","0.0002","10.2887","0.0003","77.3182","0.0016","79.7927","0.0016","81.7076","0.0016","747.91","0.03","200","","200","","","","","","","","?","5","P -1","-P 1","2","","","","- C17 H20 Cl N O3 -","- C17 H20 Cl N O3 -","- C34 H40 Cl2 N2 O6 -","2","1","","Stanislawski, Pauline C.; Willis, Anthony C.; Banwell, Martin G.","New protocols for the assembly of the tetracyclic framework associated with the aromatic erythrina alkaloids.","Organic letters","2006","8","10","2143","2146","10.1021/ol060642c","","","0.71073","MoKα","","0.0372","0.0302","","0.0411","0.0381","0.0381","","","","","","1.055","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505982","6.9258","0.0008","8.8531","0.0011","17.129","0.002","90","","90","","90","","1050.3","0.2","143","1","143","1","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H15 N -","- C14 H15 N -","- C56 H60 N4 -","4","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0771","0.0593","","","0.1492","0.1699","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505983","8.1823","0.0008","10.251","0.001","12.702","0.0013","91.707","0.002","105.15","0.003","101.572","0.003","1003.66","0.17","143","1","143","1","","","","","","","","6","P -1","-P 1","2","","","","- C19 H22 F3 N O5 S -","- C19 H22 F3 N O5 S -","- C38 H44 F6 N2 O10 S2 -","2","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0783","0.0633","","","0.1845","0.2016","","","","","","1.131","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505984","18.451","0.003","8.185","0.001","13.7757","0.0017","90","","101.249","0.004","90","","2040.5","0.5","143","1","143","1","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H29 N O -","- C27 H29 N O -","- C108 H116 N4 O4 -","4","1","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0346","0.0313","","","0.0708","0.0724","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505985","9.0004","0.0008","6.8284","0.0006","15.7613","0.0014","90","","90","","90","","968.66","0.15","143","1","143","1","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C13 H13 N -","- C13 H13 N -","- C52 H52 N4 -","4","0.5","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.0514","0.0371","","","0.0911","0.1013","","","","","","0.962","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505986","17.006","0.003","9.2753","0.0016","17.1","0.004","90","","105.239","0.005","90","","2602.4","0.9","143","1","143","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H17 N O -","- C17 H17 N O -","- C136 H136 N8 O8 -","8","2","","Smith, 3rd, Amos B; Kürti, Laszló; Davulcu, Akin H.","A new modular indole synthesis. Construction of the highly strained CDEF parent tetracycle of nodulisporic acids A and B.","Organic letters","2006","8","10","2167","2170","10.1021/ol0606536","","","0.71069","MoKα","","0.1253","0.1162","","","0.3065","0.324","","","","","","1.348","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505987","14.2546","0.0014","14.3641","0.0014","17.5605","0.0017","111.433","0.002","98.995","0.002","102.094","0.002","3163.7","0.5","90","2","90","2","","","","","","","","6","P -1","-P 1","2","","","","- C31.18 H36.37 Cl0.37 N2 O9 S2 -","- C31.185 H36.37 Cl0.37 N2 O9 S2 -","- C124.74 H145.48 Cl1.48 N8 O36 S8 -","4","2","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.1079","0.0872","","","0.2218","0.2399","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505988","9.5255","0.0003","10.5137","0.0003","16.1411","0.0007","103.771","0.002","99.338","0.002","110.545","0.001","1415.47","0.09","90","2","90","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H36 N2 O9 -","- C31 H36 N2 O9 -","- C62 H72 N4 O18 -","2","1","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.0534","0.0398","","","0.1","0.1096","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505989","8.178","0.0003","12.3849","0.0004","25.8621","0.0009","90","","90","","90","","2619.41","0.16","90","2","90","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H16 N2 O -","- C17 H16 N2 O -","- C136 H128 N16 O8 -","8","1","","Ellis-Holder, Keisha K; Peppers, Brian P.; Kovalevsky, Andrei Yu; Diver, Steven T.","Macrocycle ring expansion by double Stevens rearrangement.","Organic letters","2006","8","12","2511","2514","10.1021/ol060657a","","","0.71073","MoKα","","0.0479","0.0371","","","0.1043","0.1106","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505990","12.1529","0.001","30.119","0.003","9.3248","0.0008","90","","112.56","","90","","3152","0.5","183","2","183","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C30 H34 Cl N2 Na Ni O13 -","- C30 H32 Cl N2 Na Ni O13 -","- C120 H128 Cl4 N8 Na4 Ni4 O52 -","4","1","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.0398","0.0338","","","0.0987","0.1035","","","","","","1.068","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505991","36.115","0.002","13.8424","0.0008","30.5377","0.0019","90","","115.058","0.002","90","","13829.5","1.4","183","2","183","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C62 H75 Cl2 N5 Na2 Ni2 O28 -","- C62 H67 Cl2 N5 Na2 Ni2 O28 -","- C496 H536 Cl16 N40 Na16 Ni16 O224 -","8","1","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.1205","0.0885","","","0.2491","0.2715","","","","","","1.079","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505992","18.862","0.003","22.782","0.003","19.734","0.003","90","","92.067","0.003","90","","8474","2","183","2","183","2","","","","","","","","7","P 1 21 1","P 2yb","4","","","","- C84.5 H93 Cl3 N3 Ni O24 P2 -","- C84.5 H90 Cl3 N3 Ni O24 P2 -","- C338 H360 Cl12 N12 Ni4 O96 P8 -","4","2","","Yoon, Il; Narita, Mamiko; Goto, Midori; Shimizu, Toshimi; Asakawa, Masumi","Synthesis of a [2]rotaxane incorporating a Ni(II)-salen moiety: evidence of ring-opening-and-closing protocol.","Organic letters","2006","8","11","2341","2344","10.1021/ol060661m","","","0.71073","MoKα","","0.1934","0.1234","","","0.307","0.3641","","","","","","1.018","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1505993","10.5557","0.0009","11.3404","0.001","15.57","0.0013","90","","108.636","0.002","90","","1766.1","0.3","273","2","273","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C32 H50 N O6 S Si -","- C32 H50 N O6 S Si -","- C64 H100 N2 O12 S2 Si2 -","2","1","","García-Fortanet, Jorge; Murga, Juan; Carda, Miguel; Marco, J. Alberto","Stereoselective synthesis of the cytotoxic macrolide FD-891.","Organic letters","2006","8","13","2695","2698","10.1021/ol060669w","","","0.71073","MoKα","","0.1685","0.0599","","","0.1116","0.1421","","","","","","0.953","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505994","5.1281","0.0009","17.586","0.003","9.3323","0.0016","90","","95.199","0.002","90","","838.2","0.3","90","","90","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","6,13-Bis(methylthio)pentacene","6,13-Bis(methylthio)pentacene","","- C24 H18 S2 -","- C24 H18 S2 -","- C48 H36 S4 -","2","0.5","","Kobayashi, Kenji; Shimaoka, Reishi; Kawahata, Masatoshi; Yamanaka, Masamichi; Yamaguchi, Kentaro","Synthesis and cofacial pi-stacked packing arrangement of 6,13-bis(alkylthio)pentacene.","Organic letters","2006","8","11","2385","2388","10.1021/ol060679x","","","0.71073","MoKα","","0.0578","0.0407","","","0.1047","0.1126","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505995","10.899","0.001","11.019","0.001","15.357","0.001","90","0.002","92.158","0.002","90","0.002","1843","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","6-methoxy-3,3-dimethyl-4,8-di(thiophen-2-yl)chroman-2-one","","- C20 H18 O3 S2 -","- C20 H18 O3 S2 -","- C80 H72 O12 S8 -","4","1","","Barluenga, José; Andina, Facundo; Aznar, Fernando","Unprecedented reactivity pattern of chromium fischer carbene complexes. Direct application to one-pot synthesis of 4-aryl-3,4-dihydrocoumarins on a multigram scale.","Organic letters","2006","8","13","2703","2706","10.1021/ol060702e","","","0.71073","MoKα","","0.1251","0.0791","","","0.2498","0.2904","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505996","7.4658","0.0018","7.624","0.002","12.073","0.003","99.855","0.01","97.556","0.01","96.977","0.009","663.8","0.3","100","2","100","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C12 H15 N O2 S3 -","- C12 H15 N O2 S3 -","- C24 H30 N2 O4 S6 -","2","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.1288","0.0628","","","0.1439","0.1683","","","","","","0.994","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505997","7.3439","0.0005","7.4671","0.0005","12.4818","0.0008","90.986","0.005","103.213","0.005","111.187","0.005","617.54","0.08","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C11 H12 N2 S3 -","- C11 H12 N2 S3 -","- C22 H24 N4 S6 -","2","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.0674","0.0369","","","0.0872","0.1012","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505998","9.9722","0.0003","15.9458","0.0005","11.1555","0.0004","90","","115.648","0.001","90","","1599.11","0.09","100","2","100","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O5 S3 -","- C13 H15 N O5 S3 -","- C52 H60 N4 O20 S12 -","4","1","","Eid, Samar; Guerro, Michel; Roisnel, Thierry; Lorcy, Dominique","Trithiaazafulvalene: a promising building block between tetrathiafulvalene and dithiadiazafulvalene.","Organic letters","2006","8","11","2377","2380","10.1021/ol060705r","","x-ray","0.71073","MoKα","","0.0347","0.031","","","0.0863","0.0885","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505999","31.7102","0.0011","31.7102","0.0011","9.791","0.0008","90","","90","","120","","8526.2","0.8","100","1","100","1","","","","","","","","4","R -3 :H","-R 3","148","","","","- C40 H38 N2 O10 -","- C40 H36 N2 O10 -","- C360 H324 N18 O90 -","9","0.5","","Lavin, Judith M.; Shimizu, Ken D.","Rapid screening of a receptor with molecular memory.","Organic letters","2006","8","11","2389","2392","10.1021/ol060706j","","","0.71073","MoKα","","0.0931","0.0522","","","0.084","0.0933","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506000","11.551","0.003","17.594","0.004","13.979","0.003","90","","99.739","0.003","90","","2800","1.1","123","2","123","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C36 H31 N3 O -","- C36 H31 N3 O -","- C144 H124 N12 O4 -","4","1","","Fritz, Jonathan A.; Nakhla, Josephine S.; Wolfe, John P.","A new synthesis of imidazolidin-2-ones via Pd-catalyzed carboamination of N-allylureas.","Organic letters","2006","8","12","2531","2534","10.1021/ol060707b","","","0.71073","MoKα","","0.0703","0.0414","","","0.0932","0.1037","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506001","11.504","0.002","15.323","0.003","18.698","0.004","90","","98.95","0.03","90","","3255.9","1.1","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 N3 O6 -","- C42 H27 N3 O6 -","- C168 H108 N12 O24 -","4","1","","Zhang, Xin-Ran; Chao, Wei; Chuai, Yu-Tao; Ma, Yan; Hao, Rui; Zou, De-Chun; Wei, Yong-Ge; Wang, Yuan","A new N-type organic semiconductor synthesized by knoevenagel condensation of truxenone and ethyl cyanoacetate.","Organic letters","2006","8","12","2563","2566","10.1021/ol060756o","","","0.71073","MoKα","","0.1297","0.0473","","","0.1019","0.1192","","","","","","0.883","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506002","9.442","0.0019","14.643","0.003","23.704","0.005","90","","93.98","0.03","90","","3269.4","1.2","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C42 H27 N3 O6 -","- C42.004 H27 N3 O6 -","- C168.016 H108 N12 O24 -","4","1","","Zhang, Xin-Ran; Chao, Wei; Chuai, Yu-Tao; Ma, Yan; Hao, Rui; Zou, De-Chun; Wei, Yong-Ge; Wang, Yuan","A new N-type organic semiconductor synthesized by knoevenagel condensation of truxenone and ethyl cyanoacetate.","Organic letters","2006","8","12","2563","2566","10.1021/ol060756o","","","0.71073","MoKα","","0.2092","0.0592","","","0.0884","0.1152","","","","","","0.865","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506003","31.35","0.002","19.1542","0.0015","11.9956","0.0009","90","","97.422","0.003","90","","7142.8","0.9","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","hexa-p-tertbutyl-5,5'-bi-calix[4]arene","","","- C82 H98 Cl4 O8 -","- C82 H98 Cl4 O8 -","- C328 H392 Cl16 O32 -","4","0.5","","Iglesias-Sánchez, José Carlos; Fragoso, Alex; de Mendoza, Javier; Prados, Pilar","Aryl-aryl linked bi-5,5'-p-tert-butylcalix[4]arene tweezer for fullerene complexation.","Organic letters","2006","8","12","2571","2574","10.1021/ol0607591","","","1.54178","CuKα","","0.1685","0.0795","","","0.2016","0.2518","","","","","","0.949","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506004","11.27","0.003","12.232","0.002","14.711","0.004","79.995","0.014","85.859","0.019","69.207","0.017","1866.9","0.8","120","2","120","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H30 B Cl2 F4 Li N4 -","- C45 H30 B Cl2 F4 Li N4 -","- C90 H60 B2 Cl4 F8 Li2 N8 -","2","1","","Cissell, Julie A.; Vaid, Thomas P.; Yap, Glenn P. A.","The doubly oxidized, antiaromatic tetraphenylporphyrin complex [Li(TPP)][BF4].","Organic letters","2006","8","11","2401","2404","10.1021/ol060772l","","","0.71073","MoKα","","0.0571","0.0451","","","0.0973","0.1075","","","","","","1.015","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506005","8.804","0.002","11.544","0.003","20.381","0.011","90","","90","","90","","2071.4","1.3","293","2","293","2","","","","","","","Synthesized by the authors. See text","7","P 21 21 21","P 2ac 2ab","19","","","","- C21 H18 Br F3 N O P -","- C21 H18 Br F3 N O P -","- C84 H72 Br4 F12 N4 O4 P4 -","4","1","","Lauzon, Caroline; Charette, André B","Catalytic asymmetric synthesis of alpha,alpha,alpha-trifluoromethylamines by the copper-catalyzed nucleophilic addition of diorganozinc reagents to imines.","Organic letters","2006","8","13","2743","2745","10.1021/ol0607847","","","1.54178","CuKα","","0.0749","0.0298","","","0.0379","0.0473","","","","","","0.501","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506006","9.775","0.0011","11.6681","0.0017","16.514","0.003","76.168","0.01","83.721","0.01","74.411","0.01","1759.6","0.5","190","2","190","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 Cl F -","- C20 H26 Cl F -","- C80 H104 Cl4 F4 -","4","2","","Xu, Jianjun; Wang, Yi; Burton, Donald J.","Site-specific preparation of 3-fluoro-1-substituted-naphthalenes via a novel base-catalyzed cyclization reaction from (E)-monofluoroenynes.","Organic letters","2006","8","12","2555","2558","10.1021/ol060785z","","","0.71073","MoKα","","0.1141","0.0542","","","0.0947","0.113","","","","","","1.112","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506007","7.046","0.004","15.999","0.01","26.916","0.016","90","","90","","90","","3034","3","213","2","213","2","","","","","","","","4","P c a b","-P 2bc 2ac","61","","","","- C14 H22 N4 O3 -","- C14 H22 N4 O3 -","- C112 H176 N32 O24 -","8","1","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.1536","0.1479","","","0.3331","0.3383","","","","","","1.163","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506008","6.0458","0.0013","19.101","0.004","12.283","0.002","90","","104.201","0.004","90","","1375.1","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H20 N4 O2 -","- C14 H20 N4 O2 -","- C56 H80 N16 O8 -","4","1","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.1567","0.0573","","","0.1363","0.1667","","","","","","0.772","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506009","9.1721","0.0007","9.4004","0.0007","10.7902","0.0008","102.07","0.001","115.017","0.001","92.109","0.001","816.15","0.11","303","2","303","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H46 N10 O6 -","- C28 H46 N10 O6 -","- C28 H46 N10 O6 -","1","0.5","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.059","0.0489","","","0.1322","0.1443","","","","","","1.021","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506010","10.2709","0.0006","10.8236","0.0006","11.1705","0.0007","65.76","0.001","88.031","0.001","78.345","0.001","1107.33","0.11","213","2","213","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H62 N10 O8 S4 -","- C34 H62 N10 O8 S4 -","- C34 H62 N10 O8 S4 -","1","0.5","","Korendovych, Ivan V.; Cho, Mimi; Butler, Phillip L.; Staples, Richard J.; Rybak-Akimova, Elena V","Anion binding to monotopic and ditopic macrocyclic amides.","Organic letters","2006","8","15","3171","3174","10.1021/ol060786r","","","0.71073","MoKα","","0.0511","0.0425","","","0.1127","0.1157","","","","","","1.167","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506011","10.181","0.004","11.863","0.004","14.548","0.005","95.352","0.007","107.107","0.006","106.137","0.006","1583.6","1","110","2","110","2","","","","","","","","7","P -1","-P 1","2","","","","- C32 H44 B F3 N4 O S -","- C32 H44 B F3 N4 O S -","- C64 H88 B2 F6 N8 O2 S2 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0764","0.0595","","","0.1322","0.1399","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506012","8.481","0.003","11.804","0.004","12.288","0.005","99.518","0.007","106.156","0.006","94.747","0.009","1154.5","0.7","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C26 H27 B F3 N O -","- C26 H27 B F3 N O -","- C52 H54 B2 F6 N2 O2 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0775","0.0641","","","0.1288","0.1346","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506013","10.108","0.002","11.843","0.002","12.309","0.003","96.43","0.003","91.237","0.004","111.589","0.003","1358.4","0.5","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C29 H34 B F3 N2 O2 -","- C29 H34 B F3 N2 O2 -","- C58 H68 B2 F6 N4 O4 -","2","1","","Hudnall, Todd W.; Melaïmi, Mohand; Gabbaï, François P","Hybrid Lewis acid/hydrogen-bond donor receptor for fluoride.","Organic letters","2006","8","13","2747","2749","10.1021/ol060791v","","","0.71073","MoKα","","0.0901","0.07","","","0.1658","0.1746","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506014","15.6963","0.001","10.9386","0.0007","22.5637","0.0014","90","","90.842","0.001","90","","3873.7","0.4","171","2","171","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","compound 11e","5,17,25,27-tetraaza-11,23-dimethyl-2,8,14,20-tetraoxacalix[4]arene","","- C22 H16 N4 O4 -","- C22 H16 N4 O4 -","- C176 H128 N32 O32 -","8","1","","Katz, Jeffrey L.; Geller, Bram J.; Conry, Rebecca R.","Synthesis of oxacalixarenes incorporating nitrogen heterocycles: evidence for thermodynamic control.","Organic letters","2006","8","13","2755","2758","10.1021/ol060823e","","","0.71073","MoKα","","0.0555","0.0461","","","0.1307","0.1373","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506015","10.455","0.002","17.755","0.004","22.107","0.004","90","","90","","90","","4103.7","1.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C49 H46 N6 O4 Zn -","- C48.7 H44 N6 O4 Zn -","- C194.8 H176 N24 O16 Zn4 -","4","1","","Atkins, Jeffery M.; Moteki, Shin A.; Dimagno, Stephen G.; Takacs, James M.","Single enantiomer, chiral donor-acceptor metal complexes from bisoxazoline pseudoracemates.","Organic letters","2006","8","13","2759","2762","10.1021/ol060836s","","","0.71073","MoKα","","0.0591","0.0554","","","0.1374","0.1397","","","","","","1.096","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506016","10.9538","0.0011","13.767","0.0013","14.2985","0.0014","85.063","0.002","69.181","0.001","79.617","0.001","1981.9","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C50 H42 N4 O4 Zn -","- C50 H42 N4 O4 Zn -","- C100 H84 N8 O8 Zn2 -","2","1","","Atkins, Jeffery M.; Moteki, Shin A.; Dimagno, Stephen G.; Takacs, James M.","Single enantiomer, chiral donor-acceptor metal complexes from bisoxazoline pseudoracemates.","Organic letters","2006","8","13","2759","2762","10.1021/ol060836s","","","0.71073","MoKα","","0.0346","0.0315","","","0.0815","0.0832","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506017","4.928","0.002","16.368","0.006","10.973","0.004","90","","93.41","0.03","90","","883.5","0.6","123.1","","","","","","","","","","","3","P 1 21 1","P 2yb","4","2S,3Z,8R-7-Oxo-deepoxysarcophytoxide","","","- C20 H30 O2 -","- C20 H30 O2 -","- C40 H60 O4 -","2","1","","Nii, Keiji; Tagami, Keiko; Matsuoka, Keisuke; Munakata, Tatsuo; Ooi, Takashi; Kusumi, Takenori","Unusual transannular cyclization products of sarcophytoxide, a 14-membered marine cembranoid: anomalous stereochemistry of epoxide-ketone rearrangement.","Organic letters","2006","8","14","2957","2960","10.1021/ol0608404","","","0.7107","MoKα","","","0.038","","","","0.056","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506018","10.863","0.004","8.753","0.003","14.46","0.005","90","","105.59","0.03","90","","1324.3","0.8","173.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","3,3,3-trifluoro-2-methoxy-2-phenyl-propionic acid 1-isopropyl-4,7,11-trimethyl- 5,6,7,8,9,10-hexahydro-benzocyclodecen-8-yl ester","","","- C30 H37 F3 O3 -","- C30 H37 F3 O3 -","- C60 H74 F6 O6 -","2","1","","Nii, Keiji; Tagami, Keiko; Matsuoka, Keisuke; Munakata, Tatsuo; Ooi, Takashi; Kusumi, Takenori","Unusual transannular cyclization products of sarcophytoxide, a 14-membered marine cembranoid: anomalous stereochemistry of epoxide-ketone rearrangement.","Organic letters","2006","8","14","2957","2960","10.1021/ol0608404","","","0.7107","MoKα","","","0.032","","","","0.043","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506019","9.697","0.002","11.333","0.003","31.449","0.009","90","","90","","90","","3456.1","1.5","296","2","296","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C20 H28 O3 -","- C20.001 H28 O3 -","- C160.008 H224 O24 -","8","2","","Pan, Li; Zhou, Ping; Zhang, Xiaofeng; Peng, Shulin; Ding, Lisheng; Qiu, Samuel X.","Skeleton-rearranged pentacyclic diterpenoids possessing a cyclobutane ring from Euphorbia wallichii.","Organic letters","2006","8","13","2775","2778","10.1021/ol0608552","","","0.71073","MoKα","","0.0983","0.0498","","","0.0981","0.1099","","","","","","0.901","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506020","9.7039","0.0006","10.3408","0.0007","11.1503","0.0007","66.837","0.001","76.731","0.001","76.498","0.001","988.33","0.11","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H20 O3 -","- C28 H20 O3 -","- C56 H40 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0481","0.0432","","","0.1117","0.1156","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506021","9.8486","0.0007","10.909","0.0008","12.3327","0.0009","98.399","0.001","94.286","0.001","94.743","0.001","1301.23","0.16","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C37 H26 O3 -","- C37 H26 O3 -","- C74 H52 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0554","0.0466","","","0.1186","0.1252","","","","","","1.024","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506022","9.5126","0.0006","9.8661","0.0014","14.6056","0.0012","82.553","0.005","83.598","0.002","78.989","0.007","1328.9","0.2","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C33 H22 Br2 O3 -","- C33 H22 Br2 O3 -","- C66 H44 Br4 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0528","0.041","","","0.1022","0.1074","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506023","9.6793","0.0006","10.6282","0.0006","14.0039","0.0008","84.102","0.001","87.997","0.001","76.156","0.001","1391.3","0.14","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H24 Br2 O3 -","- C37 H24 Br2 O3 -","- C74 H48 Br4 O6 -","2","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0291","0.0261","","","0.0711","0.0727","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506024","34.6386","0.0016","10.9975","0.0007","18.8602","0.0009","90","","98.613","0.001","90","","7103.5","0.7","130","2","130","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C44 H28 Br3 O6 -","- C44 H28 Br3 O6 -","- C352 H224 Br24 O48 -","8","1","","Imai, Yoshitane; Tajima, Nobuo; Sato, Tomohiro; Kuroda, Reiko","Visualization of molecular recognition: a novel system based on charge-transfer complexes composed of 1,1'-bi-2-naphthol derivatives and p-benzoquinone.","Organic letters","2006","8","14","2941","2944","10.1021/ol060862q","","","0.71073","MoKα","","0.0843","0.048","","","0.1083","0.1201","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506025","10.699","0.002","16.752","0.003","9.5269","0.0018","90","","90","","90","","1707.5","0.5","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H16 O -","- C25 H16 O -","- C100 H64 O4 -","4","1","","Xie, Ling-Hai; Liu, Feng; Tang, Chao; Hou, Xiao-Ya; Hua, Yu-Ran; Fan, Qu-Li; Huang, Wei","Unexpected one-pot method to synthesize spiro[fluorene-9,9'-xanthene] building blocks for blue-light-emitting materials.","Organic letters","2006","8","13","2787","2790","10.1021/ol060871z","","","0.71073","MoKα","","0.0402","0.0338","","","0.0882","0.0923","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506026","9.0868","0.0016","9.7252","0.0018","9.844","0.0017","90","","107.272","0.013","90","","830.7","0.3","296","2","296","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C17 H19 Cl N2 S -","- C17 H19 Cl N2 S -","- C34 H38 Cl2 N4 S2 -","2","1","","Zhu, Yulin; Huang, Shenlin; Wan, Jieping; Yan, Lei; Pan, Yuanjiang; Wu, Anxin","Two novel diastereoselective three-component reactions of alkenes or 3,4-dihydro-(2H)-pyran with urea/thiourea-aldehyde mixtures: [4 + 2] cycloaddition vs Biginelli-type reaction.","Organic letters","2006","8","12","2599","2602","10.1021/ol060874b","","","0.71073","MoKα","","0.0324","0.028","","","0.0669","0.0682","","","","","","0.999","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506027","8.046","0.0014","14.953","0.003","16.805","0.003","80.884","0.008","76.657","0.008","75.271","0.008","1891.9","0.6","120","2","120","2","","","","","","","","3","P -1","-P 1","2","","","","- C50 H33 Cl3 -","- C50 H33 Cl3 -","- C100 H66 Cl6 -","2","1","","Karlen, Steven D.; Godinez, Carlos E.; Garcia-Garibay, Miguel A","Improved physical properties and rotational dynamics in a molecular gyroscope with an asymmetric stator structure.","Organic letters","2006","8","16","3417","3420","10.1021/ol060894d","","","0.71073","MoKα","","0.1106","0.0529","","","0.1088","0.1291","","","","","","1.013","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506028","9.9053","0.0002","13.1534","0.0003","17.1989","0.0004","90","","90","","90","","2240.82","0.09","100","2","100","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H28 N2 O2 -","- C26 H28 N2 O2 -","- C104 H112 N8 O8 -","4","1","","Focken, Thilo; Charette, André B","Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines.","Organic letters","2006","8","14","2985","2988","10.1021/ol0609006","","","1.54178","CuKα","","0.0284","0.028","","","0.0727","0.073","","","","","","1.029","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506029","9.051","0.003","8.794","0.002","25.949","0.009","90","","90.87","0.03","90","","2065.2","1.1","220","2","220","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C20 H27 I N2 O2 -","- C20 H27 I N2 O2 -","- C80 H108 I4 N8 O8 -","4","2","","Focken, Thilo; Charette, André B","Stereoselective synthesis of pyridinones: application to the synthesis of (-)-barrenazines.","Organic letters","2006","8","14","2985","2988","10.1021/ol0609006","","","1.54178","CuKα","","0.0677","0.059","","","0.137","0.1419","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506030","8.314","0.002","20.024","0.001","10.969","0.001","90","","102.5","0.01","90","","1782.8","0.5","293","2","293","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C24 H20 N2 -","- C24 H20 N2 -","- C96 H80 N8 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","1.5418","CuKα","","0.0667","0.0441","","","0.1163","0.1274","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506031","7.996","0.005","17.12","0.009","12.331","0.007","90","","105.079","0.002","90","","1629.9","1.6","120","2","120","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 O -","- C22 H22 O -","- C88 H88 O4 -","4","1","","Ichikawa, Junji; Kaneko, Mikio; Yokota, Misaki; Itonaga, Masaaki; Yokoyama, Takaharu","Friedel-Crafts-type cyclization of 2,2-difluorovinyl ketones via alpha-fluorocarbocations and its application in domino cyclizations.","Organic letters","2006","8","15","3167","3170","10.1021/ol060912r","","","0.7107","MoKα","","0.0627","0.0599","","","0.1584","0.1598","","","","","","1.135","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506032","10.7767","0.0007","11.674","0.0007","20.8192","0.0013","80.392","0.004","86.826","0.004","76.503","0.003","2510.8","0.3","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","hexyl bromo calixarene, acetonitrile","","- C54 H63 Br4 N O8 -","- C54 H63 Br4 N O8 -","- C108 H126 Br8 N2 O16 -","2","1","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.0424","0.033","","","0.0823","0.0877","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506033","10.4432","0.0015","15.049","0.002","16.32","0.002","90","","97.977","0.003","90","","2540","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","hexyl bromo calixarene, dichloromethane","","- C53 H62 Br4 Cl2 O8 -","- C53 H62 Br4 Cl2 O8 -","- C106 H124 Br8 Cl4 O16 -","2","1","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.1046","0.0447","","","0.0596","0.0674","","","","","","0.735","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506034","18.3708","0.0007","18.3708","0.0007","19.8745","0.0015","90","","90","","90","","6707.4","0.6","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","NS 1 pentyl calixarene + acetonitrile","","- C78 H85 N7 O8 -","- C78 H85 N7 O8 -","- C312 H340 N28 O32 -","4","0.5","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.0744","0.0514","","","0.1234","0.1353","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506035","23.356","0.0016","22.1519","0.0016","25.5165","0.0016","90","","94.302","0.004","90","","13164.5","1.6","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","NS 14 pentyl calixarene (+ octanedioic acid)","","- C75.5 H90 N4 O11.5 -","- C75.5 H90 N4 O11.5 -","- C604 H720 N32 O92 -","8","2","","Aakeröy, Christer B; Schultheiss, Nate; Desper, John","C-pentyltetra(3-pyridyl)cavitand: a versatile building block for the directed assembly of hydrogen-bonded heterodimeric capsules.","Organic letters","2006","8","12","2607","2610","10.1021/ol060922s","","","0.71073","MoKα","","0.2531","0.0929","","","0.2051","0.268","","","","","","0.957","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506036","8.5273","0.0007","12.8564","0.001","20.441","0.0016","90","","90","","90","","2241","0.3","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","06013","","","- C23 H27 N O8 -","- C23 H27 N O8 -","- C92 H108 N4 O32 -","4","1","","Sydorenko, Nadiya; Hsung, Richard P.; Vera, Eymi L.","Torquoselective 6pi-electron electrocyclic ring closure of 1-azatrienes containing acyclic chirality at the C-terminus.","Organic letters","2006","8","12","2611","2614","10.1021/ol060932t","","","0.71073","MoKα","","0.0377","0.0288","","","0.0646","0.07","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506037","10.458","0.0003","17.824","0.0005","21.122","0.0007","90","","90","","90","","3937.2","0.2","150","1","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37.4 H45.85 Cl2.95 N2 O7 -","- C37.4 H45.85 Cl2.95 N2 O7 -","- C149.6 H183.4 Cl11.8 N8 O28 -","4","1","","McCubbin, J. Adam; Maddess, Matthew L.; Lautens, Mark","Total synthesis of cryptophycin analogues via a scaffold approach.","Organic letters","2006","8","14","2993","2996","10.1021/ol0609356","","","0.71073","MoKα","","0.1032","0.0479","","","0.0953","0.1167","","","","","","1.038","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506038","37.51","0.03","9.04","0.02","11.09","0.02","90","","103.8","0.2","90","","3652","11","296.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C20 H24 O4 -","- C20 H24 O4 -","- C160 H192 O32 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.1094","","","","0.2667","","","","","","1.856","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506039","9.238","0.002","13.245","0.002","13.418","0.002","90","","93.79","0.01","90","","1638.2","0.5","296.2","","","","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C76 H80 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.053","","","","0.1336","","","","","","1.198","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506040","16.779","0.003","23.256","0.003","8.243","0.003","90","","90","","90","","3216.5","1.4","296.2","","","","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H20 O4 -","- C19 H20 O4 -","- C152 H160 O32 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0562","","","","0.1497","","","","","","1.243","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506041","27.767","0.003","6.363","0.003","18.784","0.003","90","","119.888","0.007","90","","2877.4","1.5","296.2","","","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C17 H16 O3 -","- C17 H16 O3 -","- C136 H128 O24 -","8","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0545","","","","0.1525","","","","","","1.199","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506042","8.7871","0.0003","12.6298","0.0004","13.6796","0.0005","90","","96.098","0.001","90","","1509.56","0.09","296.2","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 -","- C18 H18 O4 -","- C72 H72 O16 -","4","1","","Babu, Srinivasarao Arulananda; Yasuda, Makoto; Okabe, Yuji; Shibata, Ikuya; Baba, Akio","High chelation control of three contiguous stereogenic centers in the Reformatsky reactions of indium enolates with alpha-hydroxy ketones: unexpected stereochemistry of lactone formation.","Organic letters","2006","8","14","3029","3032","10.1021/ol060943m","","","0.7107","MoKα","","","0.0684","","","","0.1607","","","","","","2.354","","","","has coordinates","193981","2020-10-21","18:00:00",""
"1506043","10.75","0.002","10.912","0.002","17.685","0.004","91.03","0.03","104.31","0.03","107.76","0.03","1904.5","0.8","373","2","373","2","","","","","","","","5","P -1","-P 1","2","","","","- C39.5 H39 F8 N6 O4 -","- C40.04 H35 F8 N6 O4 -","- C80.08 H70 F16 N12 O8 -","2","1","","Samaroo, Diana; Soll, Clifford E.; Todaro, Louis J.; Drain, Charles M.","Efficient microwave-assisted synthesis of amine-substituted tetrakis(pentafluorophenyl)porphyrin.","Organic letters","2006","8","22","4985","4988","10.1021/ol060946z","","","0.71073","MoKα","","0.1233","0.068","","","0.1305","0.1524","","","","","","1.026","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506044","8.6243","0.0011","12.1688","0.0016","20.438","0.003","90","","100.164","0.003","90","","2111.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H25 N O4 S -","- C23 H25 N O4 S -","- C92 H100 N4 O16 S4 -","4","1","","Chen, Hung-Wei; Hsu, Ru-Ting; Chang, Meng-Yang; Chang, Nein-Chen","Efficient synthesis of fused bicyclic glutarimides. Its application to (+/-)-alloyohimbane and louisianin D.","Organic letters","2006","8","14","3033","3035","10.1021/ol060958k","","","0.71073","MoKα","","0.0584","0.0411","","","0.1166","0.129","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506045","19.552","0.002","7.7459","0.0008","13.2549","0.0014","90","","97.737","0.002","90","","1989.2","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O4 S -","- C22 H23 N O4 S -","- C88 H92 N4 O16 S4 -","4","1","","Chen, Hung-Wei; Hsu, Ru-Ting; Chang, Meng-Yang; Chang, Nein-Chen","Efficient synthesis of fused bicyclic glutarimides. Its application to (+/-)-alloyohimbane and louisianin D.","Organic letters","2006","8","14","3033","3035","10.1021/ol060958k","","","0.71073","MoKα","","0.0753","0.0509","","","0.1471","0.1678","","","","","","1.095","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506046","8.0128","0.0008","17.9993","0.0019","14.4781","0.0015","90","","100.899","0.002","90","","2050.4","0.4","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C80 H128 O12 Si4 -","4","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.71073","MoKα","","0.0744","0.0593","","","0.1613","0.1733","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506047","10.2128","0.001","14.5819","0.0014","26.706","0.003","90","","90","","90","","3977.1","0.7","193","2","193","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C160 H256 O24 Si8 -","8","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.71073","MoKα","","0.0667","0.0564","","","0.1571","0.1683","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506048","13.2975","0.0011","6.2587","0.0004","23.837","0.002","90","","104.319","0.002","90","","1922.2","0.3","153","2","153","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H32 O3 Si -","- C20 H32 O3 Si -","- C80 H128 O12 Si4 -","4","1","","Thornton, Paul D.; Burnell, D. Jean","A Pauson-Khand and ring-expansion approach to the aquariane ring system.","Organic letters","2006","8","15","3195","3198","10.1021/ol0609715","","","0.7107","MoKα","","0.0799","0.0729","","","0.1987","0.2068","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506049","7.9917","0.0013","10.5745","0.0018","23.462","0.004","90","","90","","90","","1982.7","0.6","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C7 H11 Br I N O -","- C7 H11 Br I0.75 N O -","- C56 H88 Br8 I6 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0943","0.0738","","","0.1971","0.2084","","","","","","0.974","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506050","8.0936","0.0006","10.7502","0.0008","23.5836","0.0017","90","","90","","90","","2052","0.3","293","2","293","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C7 H11 I2 N O -","- C7 H11 I2 N O -","- C56 H88 I16 N8 O8 -","8","1","","Hu, Tianshun; Shen, Meihua; Chen, Qian; Li, Chaozhong","Pushing radical cyclization from regioselective to regiospecific: cyclization of amidyl radicals controlled by vinylic halogen substitution.","Organic letters","2006","8","12","2647","2650","10.1021/ol060983q","","","0.71073","MoKα","","0.0643","0.0565","","","0.1377","0.1424","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506051","5.763","0.0002","17.0035","0.0008","25.3668","0.0011","90","","90","","90","","2485.72","0.18","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C26 H27 I N2 O5 -","- C26 H27 I N2 O5 -","- C104 H108 I4 N8 O20 -","4","1","","Surprenant, Simon; Lubell, William D.","From macrocycle dipeptide lactams to azabicyclo[X.Y.0]alkanone amino acids: a transannular cyclization route for peptide mimic synthesis.","Organic letters","2006","8","13","2851","2854","10.1021/ol0609863","","","1.54178","CuKα","","0.0661","0.0354","","","0.0565","0.0627","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506052","11.6497","0.0011","5.8377","0.0006","13.4469","0.0014","90","","100.394","0.005","90","","899.48","0.16","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 1 21 1","P 2yb","4","","","","- C16 H25 I N2 O5 -","- C16 H25 I N2 O5 -","- C32 H50 I2 N4 O10 -","2","1","","Surprenant, Simon; Lubell, William D.","From macrocycle dipeptide lactams to azabicyclo[X.Y.0]alkanone amino acids: a transannular cyclization route for peptide mimic synthesis.","Organic letters","2006","8","13","2851","2854","10.1021/ol0609863","","","1.54178","CuKα","","0.1059","0.0998","","","0.2443","0.2546","","","","","","1.005","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506053","6.5081","0.0013","11.812","0.002","27.375","0.006","90","","90","","90","","2104.4","0.7","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N2 O -","- C24 H40 N2 O -","- C96 H160 N8 O4 -","4","1","","Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W.","Unexpected ring expansion of an enantiopure imidazoline carbene ligand.","Organic letters","2006","8","14","3049","3051","10.1021/ol0609917","","","0.71073","MoKα","","0.1109","0.0974","","","0.2399","0.2486","","","","","","1.086","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506054","13.85","0.004","6.406","0.002","13.724","0.004","90","","120.28","0.003","90","","1051.5","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H38 N2 O -","- C23 H38 N2 O -","- C46 H76 N4 O2 -","2","0.5","","Pelegrí, Adela Sanchez; Elsegood, Mark R. J.; McKee, Vickie; Weaver, George W.","Unexpected ring expansion of an enantiopure imidazoline carbene ligand.","Organic letters","2006","8","14","3049","3051","10.1021/ol0609917","","","0.71073","MoKα","","0.0451","0.042","","","0.1098","0.1123","","","","","","1.072","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506055","18.5273","0.0007","10.3442","0.0005","21.1903","0.001","90","","105.931","0.004","90","","3905.1","0.3","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C48 H50 O P2 Pt -","- C48 H50 O P2 Pt -","- C192 H200 O4 P8 Pt4 -","4","1","","Theophanous, Fanitsa A.; Tasiopoulos, Anastasios J.; Nicolaides, Athanassios; Zhou, Xin; Johnson, William T. G.; Borden, Weston Thatcher","Evidence for the formation of the (Ph3P)2Pt complex of 3,7-dimethyltricyclo[3.3.0.03,7]oct-1(5)-ene, the most highly pyramidalized alkene in a homologous series. Isolation and X-ray structure of the product of the ethanol addition to the complex.","Organic letters","2006","8","14","3001","3004","10.1021/ol060994j","","","0.71073","MoKα","","0.0275","0.0194","","","0.0438","0.0449","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506056","12.005","0.001","18.675","0.001","10.778","0.001","90","","90","","90","","2416.4","0.3","223","2","223","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C24 H37 N O3 -","- C24 H37 N O3 -","- C96 H148 N4 O12 -","4","1","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","1.54178","CuKα","","0.0724","0.0528","","","0.1182","0.1352","","","","","","1.078","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506057","9.914","0.001","14.093","0.001","38.171","0.001","90","","90","","90","","5333.2","0.7","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H34 Br N O3 -","- C27 H34 Br N O3 -","- C216 H272 Br8 N8 O24 -","8","2","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","1.54178","CuKα","","0.0512","0.0478","","","0.1277","0.1315","","","","","","1.043","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506058","11.065","0.001","13.713","0.001","11.397","0.001","90","","103.09","0.01","90","","1684.4","0.3","198","2","198","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C37 H41 N O2 Sn -","- C37 H41 N O2 Sn -","- C74 H82 N2 O4 Sn2 -","2","1","","Chedid, Roland Bou; Fröhlich, Roland; Hoppe, Dieter","Asymmetric gamma-deprotonation and homoaldol reaction of 1,3-dien-2-yl carbamates: stereo- and regiochemistry.","Organic letters","2006","8","14","3061","3064","10.1021/ol061005p","","","0.71073","MoKα","","0.0258","0.0236","","","0.0544","0.0557","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506059","11.1254","0.0006","11.9304","0.0009","17.898","0.0011","82.322","0.005","82.065","0.004","77.051","0.005","2280","0.3","208","2","208","2","","","","","","","","6","P -1","-P 1","2","","","","- C24 H23 Cl N3 P Pd -","- C24 H23 Cl N3 P Pd -","- C96 H92 Cl4 N12 P4 Pd4 -","4","2","","Detz, Remko J.; Heras, Silvia Arévalo; de Gelder, R.; van Leeuwen, Piet W. N. M.; Hiemstra, Henk; Reek, Joost N. H.; van Maarseveen, Jan H.","""Clickphine"": a novel and highly versatile P,N ligand class via click chemistry.","Organic letters","2006","8","15","3227","3230","10.1021/ol061015q","","","0.71073","MoKα","","0.0498","0.0327","","0.0616","0.0565","0.0616","","","1.095","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506060","8.6041","0.0004","8.753","0.0004","11.3766","0.0005","90","","91.616","0.003","90","","856.45","0.07","90","2","90","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H23 N O6 -","- C15 H23 N O6 -","- C30 H46 N2 O12 -","2","1","","Alegret, Carlos; Benet-Buchholz, Jordi; Riera, Antoni","Stereodivergent syntheses of conduramines and aminocyclitols.","Organic letters","2006","8","14","3069","3072","10.1021/ol061022e","","","1.54178","CuKα","","0.0414","0.0413","","","0.099","0.0992","","","","","","1.085","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506061","9.76","0.0006","5.6869","0.0004","20.27","0.0013","90","","100.459","0.003","90","","1106.38","0.13","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H31 N O9 -","- C20 H31 N O9 -","- C40 H62 N2 O18 -","2","1","","Alegret, Carlos; Benet-Buchholz, Jordi; Riera, Antoni","Stereodivergent syntheses of conduramines and aminocyclitols.","Organic letters","2006","8","14","3069","3072","10.1021/ol061022e","","","0.71073","MoKα","","0.0524","0.0439","","","0.1102","0.1165","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506062","13.965","0.003","11.125","0.002","10.379","0.002","90","","93.433","0.003","90","","1609.6","0.5","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C30 H32 F6 N4 O6 S2 -","- C30 H32 F6 N4 O6 S2 -","- C60 H64 F12 N8 O12 S4 -","2","0.5","","Vella, Sarah J.; Tiburcio, Jorge; Gauld, James W.; Loeb, Stephen J.","Push-pull [2]pseudorotaxanes. Electronic control of threading by switching ON/OFF an intramolecular charge transfer.","Organic letters","2006","8","16","3421","3424","10.1021/ol0610338","","","0.71073","MoKα","","0.0574","0.0527","","","0.1454","0.1501","","","","","","1.044","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506063","16.398","0.004","19.247","0.005","7.534","0.002","90","","103.169","0.004","90","","2315.3","1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H40 F12 N6 O12 S4 -","- C36 H40 F12 N6 O12 S4 -","- C72 H80 F24 N12 O24 S8 -","2","0.5","","Vella, Sarah J.; Tiburcio, Jorge; Gauld, James W.; Loeb, Stephen J.","Push-pull [2]pseudorotaxanes. Electronic control of threading by switching ON/OFF an intramolecular charge transfer.","Organic letters","2006","8","16","3421","3424","10.1021/ol0610338","","","0.71073","MoKα","","0.0922","0.0659","","","0.1824","0.1943","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506064","24.254","0.005","6.6426","0.0012","17.061","0.003","90","","125.009","0.008","90","","2251.3","0.8","100","2","100","2","","","","","","","Synthesized by the authors. See text","5","C 1 2 1","C 2y","5","","","","- C23.5 H31 Cl N2 O1.5 -","- C23.5 H31 Cl N2 O1.5 -","- C94 H124 Cl4 N8 O6 -","4","1","","Iden, Hassan S.; Lubell, William D.","1,4-Diazepinone and pyrrolodiazepinone syntheses via homoallylic ketones from cascade addition of vinyl Grignard reagent to alpha-aminoacyl-beta-amino esters.","Organic letters","2006","8","16","3425","3428","10.1021/ol061036k","","","1.54178","CuKα","","0.1464","0.0934","","","0.2344","0.2786","","","","","","1.06","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506065","5.3977","0.0006","12.8158","0.0013","24.189","0.003","90","","90","","90","","1673.3","0.3","150","2","150","2","","","","","","","Synthesized by the authors. See text","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 Cl N2 O -","- C17 H25 Cl N2 O -","- C68 H100 Cl4 N8 O4 -","4","1","","Iden, Hassan S.; Lubell, William D.","1,4-Diazepinone and pyrrolodiazepinone syntheses via homoallylic ketones from cascade addition of vinyl Grignard reagent to alpha-aminoacyl-beta-amino esters.","Organic letters","2006","8","16","3425","3428","10.1021/ol061036k","","","1.54178","CuKα","","0.0741","0.0429","","","0.0915","0.1067","","","","","","0.998","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506066","25.699","0.005","9.435","0.0019","15.604","0.003","90","","98.96","0.03","90","","3737.3","1.3","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H14 F3 N3 O3 -","- C18 H14 F3 N3 O3 -","- C144 H112 F24 N24 O24 -","8","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.0883","0.0404","","","0.0804","0.0873","","","","","","0.989","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506067","13.072","0.003","7.8287","0.0016","15.19","0.003","90","","97.86","0.03","90","","1539.9","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H14 F3 N3 O3 -","- C14 H14 F3 N3 O3 -","- C56 H56 F12 N12 O12 -","4","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.068","0.0416","","","0.1012","0.108","","","","","","1.001","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506068","11.279","0.002","13.083","0.003","13.556","0.003","101.72","0.03","108.92","0.03","106.31","0.03","1718.2","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H14 F3 N O3 -","- C18 H14 F3 N O3 -","- C72 H56 F12 N4 O12 -","4","2","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.1318","0.0559","","","0.1296","0.1475","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506069","10.701","0.002","9.1912","0.0018","17.628","0.004","90","","90.69","0.03","90","","1733.7","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F3 N O3 -","- C18 H14 F3 N O3 -","- C72 H56 F12 N4 O12 -","4","1","","Xu, Feng; Zhang, Shiwei; Wu, Xiangnan; Liu, Yu; Shi, Weifeng; Wang, Jianbo","2,3-migration in Rh(II)-catalyzed reactions of beta-trifluoroacetamido alpha-diazocarbonyl compounds.","Organic letters","2006","8","15","3207","3210","10.1021/ol061047d","","","0.71073","MoKα","","0.0989","0.0379","","","0.0745","0.0838","","","","","","0.955","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506070","5.7583","0.001","8.5763","0.0015","30.482","0.006","90","","90.316","0.004","90","","1505.3","0.5","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 O3 -","- C19 H14 O3 -","- C76 H56 O12 -","4","1","","Liu, Yuanhong; Liu, Meina; Guo, Shenghai; Tu, Huamin; Zhou, Yebing; Gao, Hongjun","Gold-catalyzed highly efficient access to 3(2H)-furanones from 2-oxo-3-butynoates and related compounds.","Organic letters","2006","8","16","3445","3448","10.1021/ol061059z","","","0.71073","MoKα","","0.1379","0.0457","","","0.0583","0.0734","","","","","","0.76","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506071","10.6655","0.0004","9.6467","0.0004","17.6175","0.0007","90","","91.198","0.001","90","","1812.21","0.12","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H23 N O7 -","- C19 H23 N O7 -","- C76 H92 N4 O28 -","4","1","","Shukla, Krupa H.; Boehmler, Debra J.; Bogacyzk, Suzanne; Duvall, Bridget R.; Peterson, William A.; McElroy, William T.; Deshong, Philip","Application of palladium-catalyzed allylic arylation to the synthesis of a (+/-)-7-deoxypancratistatin analogue.","Organic letters","2006","8","19","4183","4186","10.1021/ol061070z","","","0.71073","MoKα","","0.0445","0.0332","","","0.0883","0.0963","","","","","","1.069","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506072","5.424","0.002","7.937","0.003","11.566","0.005","90","","90.737","0.005","90","","497.9","0.3","103","2","103","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C9 H15 N O3 -","- C9 H15 N O3 -","- C18 H30 N2 O6 -","2","1","","Moriarty, Robert M.; Mitan, Carmen I.; Branza-Nichita, Norica; Phares, Kenneth R.; Parrish, Damon","exo-Imino to endo-iminocyclitol rearrangement. A general route to five-membered antiviral azasugars.","Organic letters","2006","8","16","3465","3467","10.1021/ol061071r","","","0.71073","MoKα","","0.1003","0.0844","","","0.2137","0.231","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506073","10.921","0.007","11.884","0.006","23.835","0.015","90","","102.14","0.02","90","","3024","3","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C32 H42 O6 S -","- C32 H42 O6 S -","- C128 H168 O24 S4 -","4","2","","Hutchison, John M.; Lindsay, Harriet A.; Dormi, Silvana S.; Jones, Gavin D.; Vicic, David A.; McIntosh, Matthias C.","Approach to the synthesis of cladiell-11-ene-3,6,7-triol.","Organic letters","2006","8","17","3663","3665","10.1021/ol061072j","","","0.7107","MoKα","","0.1651","0.1436","","","0.3995","0.4212","","","","","","1.408","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506074","7.7457","0.0006","8.3807","0.0006","15.1631","0.0012","85.166","0.002","89.549","0.002","74.976","0.001","947.18","0.13","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 N2 O4 S -","- C22 H20 N2 O4 S -","- C44 H40 N4 O8 S2 -","2","1","","Wang, Chao; Tunge, Jon A.","Decarboxylative ring contractions and olefin insertions of vinyl oxazinanones.","Organic letters","2006","8","15","3211","3214","10.1021/ol0610744","","","0.71073","MoKα","","0.0584","0.0459","","","0.1193","0.1257","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506075","12.7805","0.0007","14.9966","0.0009","13.5072","0.0008","90","","114.749","0.001","90","","2351.1","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 N3 O2 S -","- C28 H25 N3 O2 S -","- C112 H100 N12 O8 S4 -","4","1","","Wang, Chao; Tunge, Jon A.","Decarboxylative ring contractions and olefin insertions of vinyl oxazinanones.","Organic letters","2006","8","15","3211","3214","10.1021/ol0610744","","","0.71073","MoKα","","0.0857","0.0491","","","0.0829","0.0907","","","","","","0.852","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506076","18.5086","0.0004","28.6914","0.0006","22.5474","0.0005","90","","110.452","0.001","90","","11218.8","0.4","120","1","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C58 H72 N2 O17 -","- C58 H72 N2 O17 -","- C464 H576 N16 O136 -","8","2","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71073","MoKα","","0.1528","0.0795","","","0.1749","0.2292","","","","","","1.088","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506077","6.3417","0.0001","20.5313","0.0003","9.4744","0.0002","90","","96.329","0.001","90","","1226.08","0.04","293","2","293","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","","","","- C13 H15 N O4 -","- C13 H15 N O4 -","- C52 H60 N4 O16 -","4","1","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71069","MoKα","","0.0683","0.0493","","","0.1584","0.1903","","","","","","1.1","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506078","12.2013","0.0002","12.9722","0.0002","14.3899","0.0003","90.857","0.001","92.236","0.001","116.566","0.001","2034.24","0.06","100","1","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C29 H35 Ag2 Cl3 F6 N2 O16 S2 -","- C29 H35 Ag2 Cl3 F6 N2 O16 S2 -","- C58 H70 Ag4 Cl6 F12 N4 O32 S4 -","2","1","","Bogdan, Niculina; Grosu, Ion; Benoît, Guillaume; Toupet, Loïc; Ramondenc, Yvan; Condamine, Eric; Silaghi-Dumitrescu, Ioan; Plé, Gérard","Molecular rotors: design, synthesis, structural analysis, and silver complex of new [7.7]cyclophanes.","Organic letters","2006","8","12","2619","2622","10.1021/ol0610845","","","0.71073","MoKα","","0.0282","0.0258","","","0.0698","0.0726","","","","","","1.066","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506079","8.8645","0.0002","24.7243","0.0008","11.4315","0.0003","90","","107.699","0.0017","90","","2386.84","0.12","150","2","150","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C28 H25 Cl2 N O2 -","- C28 H25 Cl2 N O2 -","- C112 H100 Cl8 N4 O8 -","4","1","","Brunner, Bernhard; Stogaitis, Nicole; Lautens, Mark","Synthesis of 1,2-dihydropyridines using vinyloxiranes as masked dienolates in imino-aldol reactions.","Organic letters","2006","8","16","3473","3476","10.1021/ol061086p","","","0.71073","MoKα","","0.0837","0.0485","","","0.1215","0.142","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506080","9.1635","0.0003","18.2658","0.0009","13.7298","0.0006","90","","100.675","0.002","90","","2258.3","0.17","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H26 F N O2 -","- C28 H26 F N O2 -","- C112 H104 F4 N4 O8 -","4","1","","Brunner, Bernhard; Stogaitis, Nicole; Lautens, Mark","Synthesis of 1,2-dihydropyridines using vinyloxiranes as masked dienolates in imino-aldol reactions.","Organic letters","2006","8","16","3473","3476","10.1021/ol061086p","","","0.71073","MoKα","","0.0985","0.0517","","","0.1258","0.1523","","","","","","1.008","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506081","17.5451","0.0012","16.2722","0.0011","7.3076","0.0005","90","","90","","90","","2086.3","0.2","120","2","120","2","","","","","","","","4","A b a 2","A 2 -2ab","41","","","","- C9 H15 N O4 -","- C9 H15 N O4 -","- C72 H120 N8 O32 -","8","","","Persson, Tobias; Nielsen, John","Synthesis of N-methoxy-N-methyl-beta-enaminoketoesters: new synthetic precursors for the regioselective synthesis of heterocyclic compounds.","Organic letters","2006","8","15","3219","3222","10.1021/ol0611088","","","0.71073","MoKα","","0.0423","0.04","","","0.095","0.0964","","","","","","1.104","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506082","22.425","0.002","12.731","0.0011","13.8126","0.0013","90","","105.313","0.008","90","","3803.4","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H28 O2 S2 Si -","- C15 H28 O2 S2 Si -","- C120 H224 O16 S16 Si8 -","8","2","","Spivey, Alan C.; Martin, Laetitia J.; Grainger, Damian M.; Ortner, Jörg; White, Andrew J. P.","Cis and trans selective 1,4-addition of a lithium dithioester enolate to 4-O-TBS-2-cyclohexenone.","Organic letters","2006","8","18","3891","3894","10.1021/ol0611090","","","1.54248","CuKα","","0.0953","0.0587","","","0.1533","0.1777","","","","","","1.104","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506083","10.921","0.003","6.2036","0.0017","11.144","0.003","90","","96.59","0.02","90","","750","0.4","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 O3 -","- C8 H10 O3 -","- C32 H40 O12 -","4","1","","Spivey, Alan C.; Martin, Laetitia J.; Grainger, Damian M.; Ortner, Jörg; White, Andrew J. P.","Cis and trans selective 1,4-addition of a lithium dithioester enolate to 4-O-TBS-2-cyclohexenone.","Organic letters","2006","8","18","3891","3894","10.1021/ol0611090","","","1.54248","CuKα","","0.0982","0.0523","","","0.1365","0.1666","","","","","","1.01","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506084","25.555","0.003","7.2399","0.0009","15.3012","0.0018","90","","122.954","0.002","90","","2375.5","0.5","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C25 H34 N2 O5 S -","- C25 H34 N2 O5 S -","- C100 H136 N8 O20 S4 -","4","1","","Garner, Philip; Kaniskan, H. Umit; Hu, Jieyu; Youngs, Wiley J.; Panzner, Matthew","Asymmetric multicomponent [C+NC+CC] synthesis of highly functionalized pyrrolidines catalyzed by silver(I).","Organic letters","2006","8","17","3647","3650","10.1021/ol061113b","","","0.71073","MoKα","","0.0514","0.0457","","","0.1105","0.1133","","","","","","1.034","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506085","9.608","0.005","9.883","0.005","10.123","0.004","82.041","0.019","80.51","0.019","75.84","0.02","914.4","0.8","296","1","","","","","","","","","","4","P -1","-P 1","2","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C40 H40 N4 O8 -","2","1","","Ma, Cheng; Ding, Hanfeng; Wang, Yanguang","Novel annulation reactions of aryl methyl ketenes with zwitterions derived from dimethyl acetylenedicarboxylate and N-alkylimidazoles.","Organic letters","2006","8","14","3133","3136","10.1021/ol061126p","","","0.71075","MoKα","","","0.0442","","","","0.1311","","","","","","1.006","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506086","7.2133","0.0014","7.3959","0.0014","20.115","0.004","83.451","0.012","83.335","0.013","71.708","0.011","1008.6","0.3","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H18 Fe N2 O6 -","- C19 H18 Fe N2 O6 -","- C38 H36 Fe2 N4 O12 -","2","1","","Williams, Iwan; Kariuki, Benson M.; Reeves, Keith; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted pyrrolidines using an eta4-dienetricarbonyliron complex as the stereodirecting element: Elaboration to the pyrrolizidine skeleton.","Organic letters","2006","8","20","4389","4392","10.1021/ol061132l","","","1.54178","CuKα","","0.2017","0.1244","","","0.25","0.2864","","","","","","1.073","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506087","7.3427","0.0002","10.3573","0.0002","12.6116","0.0003","69.111","0.001","86.301","0.001","87.873","0.001","894.11","0.04","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H20 Br Fe N O3 -","- C16 H20 Br Fe N O3 -","- C32 H40 Br2 Fe2 N2 O6 -","2","1","","Williams, Iwan; Kariuki, Benson M.; Reeves, Keith; Cox, Liam R.","Stereoselective synthesis of 2-dienyl-substituted pyrrolidines using an eta4-dienetricarbonyliron complex as the stereodirecting element: Elaboration to the pyrrolizidine skeleton.","Organic letters","2006","8","20","4389","4392","10.1021/ol061132l","","","1.54178","CuKα","","0.0716","0.0608","","","0.179","0.1929","","","","","","1.118","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506088","8.735","0.0009","9.2712","0.001","8.869","0.0009","90","","91.718","0.002","90","","717.92","0.13","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Furan-2-yl-2H-[1,2,3]triazole-4-carbonitrile","","- C7 H4 N4 O -","- C7 H4 N4 O -","- C28 H16 N16 O4 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0534","0.049","","","0.1401","0.1444","","","","","","1.049","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506089","8.7912","0.0013","9.3385","0.0014","9.2179","0.0014","90","","92.242","0.003","90","","756.2","0.2","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-(Thiophen-2-yl)-2H-1,2,3-triazole-4-carbonitrile","","- C7 H4 N4 S -","- C7 H4 N4 S -","- C28 H16 N16 S4 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0564","0.0469","","","0.1149","0.1201","","","","","","1.071","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506090","7.3028","0.0007","15.7135","0.0015","15.8041","0.0015","90","","97.973","0.002","90","","1796","0.3","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","5-Furan-2-yl-2H-[1,2,3]triazole-4-carboxylic acid methyl ester","","- C20 H20 N2 O3 -","- C16 H16 N6 O7 -","- C64 H64 N24 O28 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0631","0.0557","","","0.1441","0.1478","","","","","","1.137","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506091","16.4842","0.0006","16.4842","0.0006","40.118","0.003","90","","90","","120","","9440.7","0.9","223","2","223","2","","","","","","","","5","R -3 c :H","-R 3 2""c","167","","5-Thiophen-2-yl-2H-[1,2,3]triazole-4-carboxylic acid methyl ester","","- C8 H7 N3 O2.5 S -","- C8 H7 N3 O2.5 S -","- C288 H252 N108 O90 S36 -","36","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0864","0.0551","","","0.1487","0.1612","","","","","","1.002","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506092","7.2348","0.0004","11.4471","0.0008","17.678","0.0011","90","","92.633","0.002","90","","1462.5","0.16","223","2","223","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","2-Cyclohexylmethyl-5-phenyl-2H-[1,2,3]triazole-4-carbonitrile","","- C16 H12 N4 -","- C16 H18 N4 -","- C64 H72 N16 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0977","0.0622","","","0.139","0.1572","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506093","13.755","0.004","15.225","0.005","6.878","0.002","90","","104.48","","90","","1394.6","0.7","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-Benzyl-8-chloro-2H-5-oxa-1,2,3-triaza-cyclopenta[a]naphthalen-4-one","","- C16 H10 Cl N3 O2 -","- C16 H10 Cl N3 O2 -","- C64 H40 Cl4 N12 O8 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.1151","0.0702","","","0.1244","0.1399","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506094","8.3146","0.0011","5.634","0.0008","29.131","0.004","90","","93.396","0.003","90","","1362.2","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","3-Benzyl-8-chloro-3H-5-oxa-1,2,3-triaza-cyclopenta[a]naphthalen-4-one","","- C16 H10 Cl N3 O2 -","- C16 H10 Cl N3 O2 -","- C64 H40 Cl4 N12 O8 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0471","0.0416","","","0.106","0.11","","","","","","1.031","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1506095","17.0442","0.0016","5.7349","0.0005","7.3883","0.0007","90","","95.037","0.002","90","","719.39","0.11","223","2","223","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","4-Phenyl-2H-[1,2,3]triazole","","- C8 H7 N3 -","- C8 H7 N3 -","- C32 H28 N12 -","4","1","","Gao, Yongnian; Lam, Yulin","[3+2] cycloaddition reactions in the solid-phase synthesis of 1,2,3-triazoles.","Organic letters","2006","8","15","3283","3285","10.1021/ol0611494","","","0.71073","MoKα","","0.0482","0.0446","","","0.1112","0.1135","","","","","","1.132","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506096","13.352","0.0006","13.352","0.0006","12.1413","0.0007","90","","90","","120","","1874.51","0.16","193","","193","","","","","","","","","3","P 32","P 32","145","","7,7'-Dimethyl-1,3,1',3'-tetrahydro-[4,4']biisobenzofuranyl- 5,6,5',6'-tetracarboxylic acid tetramethyl ester","","- C26 H26 O10 -","- C26 H26 O10 -","- C78 H78 O30 -","3","1","","Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.","Organic letters","2006","8","16","3489","3492","10.1021/ol0611550","","","1.54187","CuKα","","0.0248","0.0247","","","0.067","0.0671","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506097","10.5522","0.0006","13.1153","0.0006","21.9409","0.0011","90","","90","","90","","3036.5","0.3","223","","223","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","6,6'-Bis-acetoxymethyl-2,3,2',3'-tetrahydro-1H,1'H-[5,5']biindenyl- 4,7,4',7'-tetracarboxylic acid tetraethyl ester","","- C32 H34 O12 -","- C32 H34 O12 -","- C128 H136 O48 -","4","1","","Nishida, Goushi; Suzuki, Nanami; Noguchi, Keiichi; Tanaka, Ken","Enantioselective Synthesis of Tetra-ortho-Substituted Axially Chiral Biaryls through Rhodium-Catalyzed Double [2 + 2 + 2] Cycloaddition.","Organic letters","2006","8","16","3489","3492","10.1021/ol0611550","","","1.54187","CuKα","","0.0525","0.0405","","","0.1061","0.1176","","","","","","1.022","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506098","8.9947","0.0008","10.8105","0.0012","13.9124","0.0015","81.632","0.01","73.88","0.009","67.096","0.007","1196.1","0.2","143","1","143","1","","","","","","","","3","P 1","P 1","1","","","","- C44 H72 O16 -","- C44 H72 O16 -","- C44 H72 O16 -","1","1","","Smith, 3rd, Amos B; Simov, Vladimir","Total synthesis of the marine natural product (-)-clavosolide A. A showcase for the Petasis-Ferrier union/rearrangement tactic.","Organic letters","2006","8","15","3315","3318","10.1021/ol0611752","","","0.71069","MoKα","","0.0601","0.0385","","","0.0751","0.0858","","","","","","0.838","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506099","17.027","0.005","8.768","0.005","22.235","0.005","90","","99.014","0.005","90","","3279","2","293","","293","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H36 N4 O7 S2 -","- C33 H36 N4 O7 S2 -","- C132 H144 N16 O28 S8 -","4","1","","Lomberget, Thierry; Baragona, Fabien; Fenet, Bernard; Barret, Roland","[3+2] versus [4+2] cycloadditions of quinone monoimide with azadienes: a Lewis acid-free access to 5-amino-2,3-dihydrobenzofuranes.","Organic letters","2006","8","18","3919","3922","10.1021/ol061184a","","x-ray","0.71069","MoKα","","0.0913","0.0504","","0.0886","0.0596","0.0596","","","","","","1.08","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506100","12.4745","0.0003","8.5332","0.0002","16.1449","0.0005","90","","108.536","0.002","90","","1629.43","0.08","153","2","153","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 N2 O -","- C21 H18 N2 O -","- C84 H72 N8 O4 -","4","1","","Magnus, Philip; Turnbull, Rachel","Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles.","Organic letters","2006","8","16","3497","3499","10.1021/ol061191z","","","0.71073","MoKα","","0.0663","0.0398","","","0.0934","0.108","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506101","6.2294","0.0005","17.619","0.0011","14.104","0.002","90","","90","","90","","1548","0.3","153","2","153","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C21 H17 N2 -","- C21 H17 N2 -","- C84 H68 N8 -","4","1","","Magnus, Philip; Turnbull, Rachel","Thermal and acid-catalyzed Hofmann-Martius rearrangement of 3-N-aryl-2-oxindoles into 3-(arylamino)-2-oxindoles.","Organic letters","2006","8","16","3497","3499","10.1021/ol061191z","","","0.71073","MoKα","","0.1653","0.0677","","","0.112","0.1409","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506102","7.697","0.004","13.53","0.006","15.046","0.004","90","","104.33","0.02","90","","1518.1","1.1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 B N O4 -","- C16 H16 B N O4 -","- C64 H64 B4 N4 O16 -","4","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0711","0.046","","","0.1304","0.1518","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506103","7.802","0.003","7.873","0.003","12.734","0.006","74.89","0.03","75.2","0.02","75.97","0.03","717","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H18 B N O -","- C18 H18 B N O -","- C36 H36 B2 N2 O2 -","2","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0552","0.0432","","","0.1103","0.1205","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506104","15.42","0.002","6.561","0.003","23.85","0.008","90","","90","","90","","2412.9","1.4","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H12 B N3 -","- C14 H12 B N3 -","- C112 H96 B8 N24 -","8","1","","Wood, Thomas K.; Piers, Warren E.; Keay, Brian A.; Parvez, Masood","1-Borabarrelene derivatives via Diels-Alder additions to borabenzenes.","Organic letters","2006","8","13","2875","2878","10.1021/ol061201w","","","0.71073","MoKα","","0.0605","0.0438","","","0.1069","0.1187","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506105","11.907","0.004","5.6848","0.0016","12.95","0.004","90","","92.517","0.005","90","","875.7","0.5","108","2","108","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C12 H11 N -","- C12 H11 N -","- C48 H44 N4 -","4","1","","Feldman, Ken S.; Iyer, Malliga R.; Hester, II, D. Keith","Allenyl azide cycloaddition chemistry. Synthesis of annelated indoles from 2-(allenyl)phenyl azide substrates","Organic Letters","2006","8","14","3113","3116","10.1021/ol061216u","","","0.71073","MoKα","","0.0611","0.0517","","","0.132","0.139","","","","","","1.072","","","","has coordinates","218620","2020-10-21","18:00:00",""
"1506106","5.538","0.003","9.573","0.005","25.815","0.014","90","","87.27","0.012","90","","1367","1.3","298","2","298","2","","","","","","","","3","P -1","-P 1","2","","","","- C18 H17 N -","- C18 H17 N -","- C72 H68 N4 -","4","2","","Feldman, Ken S.; Iyer, Malliga R.; Hester, II, D. Keith","Allenyl azide cycloaddition chemistry. Synthesis of annelated indoles from 2-(allenyl)phenyl azide substrates","Organic Letters","2006","8","14","3113","3116","10.1021/ol061216u","","","0.71073","MoKα","","0.2243","0.0823","","","0.1743","0.2167","","","","","","0.829","","","","has coordinates","218620","2020-10-21","18:00:00",""
"1506107","9.6027","0.0014","10.0645","0.0016","11.093","0.0017","110.209","0.003","109.26","0.003","101.701","0.003","887","0.2","193","2","193","2","","","","","","","","4","P 1","P 1","1","","","","- C19 H24 N2 O2 -","- C19 H24 N2 O2 -","- C38 H48 N4 O4 -","2","2","","Evans, David A.; Song, Hyun-Ji; Fandrick, Keith R.","Enantioselective nitrone cycloadditions of alpha,beta-unsaturated 2-acyl imidazoles catalyzed by bis(oxazolinyl)pyridine-cerium(IV) triflate complexes.","Organic letters","2006","8","15","3351","3354","10.1021/ol061223i","","x-ray","0.71073","MoKα","","0.0576","0.0492","","","0.1158","0.122","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506108","12.5773","0.0013","13.0527","0.0014","14.9394","0.0016","103.581","0.002","103.794","0.002","113.814","0.002","2022.1","0.4","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C48 H42 N2 O9 -","- C48 H42 N2 O9 -","- C96 H84 N4 O18 -","2","1","","Sim, Eun-Kyung; Jeong, Seung-Doo; Yoon, Dae-Wi; Hong, Seong-Jin; Kang, Youngjin; Lee, Chang-Hee","Porphyrins bearing stable meso-alkylidenyl double bonds. A new family of nonplanar porphyrinoids.","Organic letters","2006","8","15","3355","3358","10.1021/ol0612307","","","0.71073","MoKα","","0.1533","0.0574","","","0.118","0.1523","","","","","","0.941","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506109","12.1293","0.0007","13.3588","0.0008","13.7337","0.0008","68.826","0.001","83.025","0.001","75.297","0.001","2006","0.2","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C47 H41 N3 O9 -","- C47 H41 N3 O9 -","- C94 H82 N6 O18 -","2","1","","Sim, Eun-Kyung; Jeong, Seung-Doo; Yoon, Dae-Wi; Hong, Seong-Jin; Kang, Youngjin; Lee, Chang-Hee","Porphyrins bearing stable meso-alkylidenyl double bonds. A new family of nonplanar porphyrinoids.","Organic letters","2006","8","15","3355","3358","10.1021/ol0612307","","","0.71073","MoKα","","0.1738","0.061","","","0.136","0.1795","","","","","","0.911","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506110","9.019","0.002","10.726","0.003","14.449","0.004","90","","105.111","0.004","90","","1349.4","0.6","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H30 N5 O8 -","- C26 H30 N5 O8 -","- C52 H60 N10 O16 -","2","1","","Liu, Xiangyang; Kwan, Irene C. M.; Wang, Suning; Wu, Gang","G-quartet formation from an N2-modified guanosine derivative","Organic Letters","2006","8","17","3685","3688","10.1021/ol061236w","","","0.71073","MoKα","","0.0919","0.0551","","","0.1266","0.1405","","","","","","0.942","","","","has coordinates","218622","2020-10-21","18:00:00",""
"1506111","13.1985","0.0015","13.4944","0.0015","13.9409","0.0016","65.224","0.002","68.024","0.002","67.455","0.002","2013.5","0.4","294","2","294","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H25 N O -","- C13 H25 N O -","- C78 H150 N6 O6 -","6","3","","Halliday, Jill I.; Chebib, Mary; Turner, Peter; McLeod, Malcolm D.","Double-Mannich annulation of cyclic ketones using N,N-Bis(ethoxymethyl)alkylamine reagents.","Organic letters","2006","8","15","3399","3401","10.1021/ol061242s","","","0.71069","MoKα","","0.1147","0.0814","","","0.2031","0.2188","","","","","","1.381","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506112","11.0066","0.0001","14.624","0.0002","17.8129","0.0002","100.328","0.0007","103.636","0.0009","97.9031","0.0009","2692.32","0.06","160","1","160","1","","","","","","","","5","P -1","-P 1","2","","","","- C26 H28 Br2 N4 O4 -","- C26 H28 Br2 N4 O4 -","- C104 H112 Br8 N16 O16 -","4","2","","Yasui, Yoshizumi; Frantz, Derik K.; Siegel, Jay S.","Synthesis of 4,4'-bisaryl-2,2'-bisbenzimidazoles as building blocks for supramolecular structures.","Organic letters","2006","8","22","4989","4992","10.1021/ol061244c","","","0.71073","MoKα","","0.0689","0.0418","","","0.0945","0.1061","","","","","","1.018","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506113","9.881","0.003","8.283","0.003","20.714","0.007","90","","97.71","0.006","90","","1680","1","98","2","98","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O3 -","- C19 H25 N O3 -","- C76 H100 N4 O12 -","4","1","","Huntley, Raymond J.; Funk, Raymond L.","Total syntheses of (+/-)-cis-trikentrin A and (+/-)-cis-trikentrin B via electrocyclic ring closures of 2,3-divinylpyrrolines.","Organic letters","2006","8","15","3403","3406","10.1021/ol061259a","","","0.71073","MoKα","","0.0593","0.0441","","","0.1055","0.1142","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506114","8.4416","0.0005","8.4416","0.0005","24.5449","0.0014","90","","90","","90","","1749.08","0.18","143","1","143","1","","","","","","","","4","P 43","P 4cw","78","","","","- C20 H27 N O5 -","- C20 H27 N O5 -","- C80 H108 N4 O20 -","4","1","","Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN","Novel reaction pathways for 2-pyridone [4+4] photoadducts.","Organic letters","2006","8","15","3367","3370","10.1021/ol061266z","","","0.71069","MoKα","","0.0285","0.0263","","","0.059","0.0602","","","","","","1.017","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506115","7.346","0.0008","15.884","0.002","16.299","0.002","90","","90","","90","","1901.8","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H28 Cl N O3 -","- C21 H28 Cl N O3 -","- C84 H112 Cl4 N4 O12 -","4","1","","Chen, Peiling; Chen, Yanping; Carroll, Patrick J.; Sieburth, Scott McN","Novel reaction pathways for 2-pyridone [4+4] photoadducts.","Organic letters","2006","8","15","3367","3370","10.1021/ol061266z","","","0.71069","MoKα","","0.0379","0.0306","","","0.0593","0.0618","","","","","","0.897","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506116","8.044","0.01","11.217","0.014","13.883","0.018","74.69","0.02","77.23","0.02","85.51","0.02","1178","3","153","2","153","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H21 Br Cl2 N5 O5 -","- C20 H21 Br Cl2 N5 O5 -","- C40 H42 Br2 Cl4 N10 O10 -","2","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0908","0.074","","","0.1969","0.2061","","","","","","0.98","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506117","14.765","0.006","22.301","0.008","9.509","0.004","90","","97.598","0.008","90","","3104","2","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H19 N O6 -","- C17 H19 N O6 -","- C136 H152 N8 O48 -","8","2","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.1204","0.0601","","","0.1135","0.1257","","","","","","0.716","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506118","8.357","0.004","17.641","0.009","12.509","0.007","90","","102.708","0.009","90","","1799","1.6","103","2","103","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C19 H21 N O5 S -","- C19 H21 N O5 S -","- C76 H84 N4 O20 S4 -","4","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0935","0.0647","","","0.1339","0.148","","","","","","1.027","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506119","14.116","0.018","11.11","0.02","8.36","0.02","90","","94.55","0.12","90","","1307","4","108","2","108","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H17 N O3 -","- C15 H17 N O3 -","- C60 H68 N4 O12 -","4","1","","He, Yong; Funk, Raymond L.","Total syntheses of (±)-β-erythroidine and (±)-8-oxo-β-erythroidine by an intramolecular Diels-Alder cycloaddition of a 2-amidoacrolein","Organic Letters","2006","8","17","3689","3692","10.1021/ol061267r","","","0.71073","MoKα","","0.0664","0.0501","","","0.1226","0.1321","","","","","","1.041","","","","has coordinates","218637","2020-10-21","18:00:00",""
"1506120","14.922","0.004","8.735","0.002","17.45","0.005","90","","94.143","0.004","90","","2268.6","1","297","2","297","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C35 H22 -","- C35 H22 -","- C140 H88 -","4","1","","Xie, Ling-Hai; Hou, Xiao-Ya; Hua, Yu-Ran; Tang, Chao; Liu, Feng; Fan, Qu-Li; Huang, Wei","Facile synthesis of complicated 9,9-diarylfluorenes based on BF3.Et2O-mediated Friedel-Crafts reaction.","Organic letters","2006","8","17","3701","3704","10.1021/ol061268j","","","0.71073","MoKα","","0.0594","0.0402","","","0.1017","0.1152","","","","","","1.028","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506121","9.244","0.0007","9.5634","0.001","13.502","0.002","90","","106.642","0.006","90","","1143.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Phenyl-N'-[(1R,3S)-3-[[[(phenylamino)oxomethyl]amino] methyl]-3,5,5-trimethylcyclohexyl]urea","","- C24 H32 N4 O2 -","- C24 H32 N4 O2 -","- C48 H64 N8 O4 -","2","1","","Berkessel, Albrecht; Roland, Katrin; Neudörfl, Jörg M","Asymmetric Morita-Baylis-Hillman reaction catalyzed by isophoronediamine-derived bis(thio)urea organocatalysts.","Organic letters","2006","8","19","4195","4198","10.1021/ol061298m","","","0.71073","MoKα","","0.0803","0.0484","","","0.0965","0.1063","","","","","","0.956","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506122","7.5688","0.0003","9.5287","0.0004","33.9726","0.0014","90","","90","","90","","2450.13","0.17","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","N-Phenyl-N'-[(1R,3S)-3-[[[(phenylamino)thioxomethyl]amino] methyl]-3,5,5-trimethylcyclohexyl]thiourea","","- C24 H32 N4 S2 -","- C24 H32 N4 S2 -","- C96 H128 N16 S8 -","4","1","","Berkessel, Albrecht; Roland, Katrin; Neudörfl, Jörg M","Asymmetric Morita-Baylis-Hillman reaction catalyzed by isophoronediamine-derived bis(thio)urea organocatalysts.","Organic letters","2006","8","19","4195","4198","10.1021/ol061298m","","","0.71073","MoKα","","0.0825","0.0403","","","0.0709","0.0967","","","","","","0.973","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506123","31.189","0.005","16.501","0.003","14.102","0.002","90","","113.036","0.004","90","","6678.9","1.9","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H46 N3 O9 -","- C34 H46 N3 O9 -","- C272 H368 N24 O72 -","8","1","","Rege, Pankaj D.; Tian, Yuan; Corey, E. J.","Studies of new indole alkaloid coupling methods for the synthesis of haplophytine.","Organic letters","2006","8","14","3117","3120","10.1021/ol061319c","","","0.71073","MoKα","","0.1465","0.0514","","","0.085","0.0966","","","","","","0.851","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506124","20.041","0.008","9.284","0.004","21.351","0.008","90","","104.917","0.007","90","","3839","3","293","2","293","2","","","","","","","","6","P 1 2/c 1","-P 2yc","13","","","","- C27.5 H28 Cl4 I N3 O4 -","- C27.5 H28 Cl4 I N3 O4 -","- C110 H112 Cl16 I4 N12 O16 -","4","1","","Rege, Pankaj D.; Tian, Yuan; Corey, E. J.","Studies of new indole alkaloid coupling methods for the synthesis of haplophytine.","Organic letters","2006","8","14","3117","3120","10.1021/ol061319c","","","0.71073","MoKα","","0.1665","0.0746","","","0.2419","0.2622","","","","","","0.944","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506125","6.0242","0.0005","21.4235","0.0019","11.8956","0.0009","90","","93.449","0.005","90","","1532.5","0.2","150","","150","","","","","","","","P. Joensuu PJD784","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H21 N O3 -","- C18 H21 N O3 -","- C72 H84 N4 O12 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.069","0.0442","","0.1018","0.095","0.1018","","","","","","0.8861","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506126","15.7502","0.0007","6.1392","0.0003","17.0116","0.0007","90","","99.577","0.003","90","","1621.99","0.13","150","","150","","","","","","","","Gordon Murray, GJM6/36/1","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H21 N O3 -","- C19 H21 N O3 -","- C76 H84 N4 O12 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.0684","0.0446","","0.1086","0.1025","0.1086","","","","","","0.8598","","","","has coordinates","211332","2020-10-21","18:00:00",""
"1506127","11.8348","0.0005","6.7889","0.0003","21.2326","0.0011","90","","93.852","0.003","90","","1702.09","0.14","150","","150","","","","","","","","Euan Fordyce EAFF21002A","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H25 N O5 -","- C19 H25 N O5 -","- C76 H100 N4 O20 -","4","1","","Lam, Hon Wai; Joensuu, Pekka M.; Murray, Gordon J.; Fordyce, Euan A. F.; Prieto, Oscar; Luebbers, Thomas","Diastereoselective cobalt-catalyzed reductive aldol cyclizations using diethylzinc as the stoichiometric reductant.","Organic letters","2006","8","17","3729","3732","10.1021/ol061329d","","","0.71073","MoKα","","0.0729","0.0517","","0.1351","0.1265","0.1351","","","","","","0.895","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506128","17.04","0.002","11.32","0.001","25.137","0.002","90","","97.135","0.006","90","","4811.2","0.8","103","2","103","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C62 H56 F2 N2 O4 -","- C62 H56 F2 N2 O4 -","- C248 H224 F8 N8 O16 -","4","1","","Würthner, Frank; Osswald, Peter; Schmidt, Rüdiger; Kaiser, Theo E.; Mansikkamäki, Heidi; Könemann, Martin","Synthesis and optical and electrochemical properties of core-fluorinated perylene bisimides.","Organic letters","2006","8","17","3765","3768","10.1021/ol0613416","","x-ray","1.54178","CuKα","","0.0735","0.0519","","","0.1192","0.1321","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506129","7.8097","0.0004","12.1717","0.0007","18.252","0.001","75.605","0.001","80.791","0.001","80.205","0.001","1643.37","0.16","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H38 F4 N2 O4 -","- C39.999 H38 F4 N2 O4 -","- C79.998 H76 F8 N4 O8 -","2","1","","Würthner, Frank; Osswald, Peter; Schmidt, Rüdiger; Kaiser, Theo E.; Mansikkamäki, Heidi; Könemann, Martin","Synthesis and optical and electrochemical properties of core-fluorinated perylene bisimides.","Organic letters","2006","8","17","3765","3768","10.1021/ol0613416","","","0.71073","MoKα","","0.1145","0.1025","","","0.1826","0.188","","","","","","1.375","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506130","15.134","0.01","25.283","0.016","11.758","0.007","90","","90","","90","","4499","5","293","2","293","2","","","","","","","","4","C c c 2","C 2 -2c","37","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C192 H248 N8 O24 -","8","1","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.1042","0.0636","","","0.1211","0.1382","","","","","","0.981","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506131","21.57","0.005","8.3502","0.0019","23.271","0.005","90","","90","","90","","4191.4","1.6","100","2","100","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C24 H31 N O3 -","- C24 H31 N O3 -","- C192 H248 N8 O24 -","8","1","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.06","0.0393","","","0.0791","0.0881","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506132","12.903","0.004","15.659","0.005","17.267","0.006","98.252","0.006","103.842","0.006","108.822","0.005","3112.5","1.8","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H21 N O -","- C19 H21 N O -","- C152 H168 N8 O8 -","8","4","","Hogan, Anne-Marie L; O'Shea, Donal F","Regioselective carbolithiation of o-amino-(E)-stilbenes: cascade route to the quinoline scaffold.","Organic letters","2006","8","17","3769","3772","10.1021/ol061348n","","","0.71073","MoKα","","0.058","0.0454","","","0.1133","0.1208","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506133","14.231","0.003","11.851","0.002","27.763","0.006","90","","90.34","0.03","90","","4682.2","1.6","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C51 H58 B2 S2 -","- C51 H58 B2 S2 -","- C204 H232 B8 S8 -","4","0.5","","Zhou, Zhiguo; Xiao, Shuzhang; Xu, Jia; Liu, Zhiqiang; Shi, Mei; Li, Fuyou; Yi, Tao; Huang, Chunhui","Modulation of the photochromic property in an organoboron-based diarylethene by a fluoride ion.","Organic letters","2006","8","18","3911","3914","10.1021/ol061370g","","","0.71073","MoKα","","0.0665","0.0459","","","0.133","0.1468","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506134","7.577","0.008","8.208","0.011","13.461","0.015","90","","97.796","0.01","90","","829.4","1.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H26 O4 Si -","- C14 H26 O4 Si -","- C28 H52 O8 Si2 -","2","1","","Ghosh, Subrata; Sinha, Saikat; Drew, Michael G. B.","Stereodivergent approach to the asymmetric synthesis of bacillariolides: a formal synthesis of ent-bacillariolide II.","Organic letters","2006","8","17","3781","3784","10.1021/ol061377y","","","0.71073","MoKα","","0.0723","0.0553","","","0.1129","0.12","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506135","9.1848","0.0009","10.3498","0.0003","18.4659","0.0005","90","","90","","90","","1755.38","0.19","296.2","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N O3 -","- C18 H24 N O3 -","- C72 H96 N4 O12 -","4","1","","Matsumura, Yoshihiro; Ogura, Kanako; Kouchi, Yoshimi; Iwasaki, Fumiaki; Onomura, Osamu","New efficient organic activators for highly enantioselective reduction of aromatic ketones by trichlorosilane.","Organic letters","2006","8","17","3789","3792","10.1021/ol0613822","","","0.7107","MoKα","","","0.0416","","","","0.0901","","","","","","1.306","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506136","6.365","0.003","14.361","0.004","19.468","0.007","90","","90","","90","","1779.5","1.2","293","2","293","2","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H17 Br O3 -","- C19 H17 Br O3 -","- C76 H68 Br4 O12 -","4","1","","Boukouvalas, John; Pouliot, Martin; Robichaud, Joël; MacNeil, Stephen; Snieckus, Victor","Asymmetric total synthesis of (-)-panacene and correction of its relative configuration.","Organic letters","2006","8","16","3597","3599","10.1021/ol061385e","","","1.54178","CuKα","","0.0867","0.0423","","","0.0923","0.106","","","","","","0.759","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506137","30.159","0.005","8.8874","0.0014","20.568","0.003","90","","124.276","0.003","90","","4555.5","1.2","193","2","193","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N3 O5 -","- C25 H23 N3 O5 -","- C200 H184 N24 O40 -","8","2","","Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J.","Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives.","Organic letters","2006","8","15","3391","3394","10.1021/ol061389j","","","0.71073","MoKα","","0.109","0.0528","","","0.0578","0.0697","","","","","","0.824","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506138","11.1824","0.0018","11.3032","0.0018","12.902","0.002","105.247","0.004","107.724","0.004","93.027","0.004","1482.9","0.4","193","2","193","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H33 N3 O4 -","- C36 H33 N3 O4 -","- C72 H66 N6 O8 -","2","1","","Reddy, B. V. Subba; Reddy, Leleti Rajender; Corey, E. J.","Novel acetoxylation and C-C coupling reactions at unactivated positions in alpha-amino acid derivatives.","Organic letters","2006","8","15","3391","3394","10.1021/ol061389j","","","0.71073","MoKα","","0.1157","0.0666","","","0.1327","0.1578","","","","","","1.017","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506139","12.0635","0.0006","9.7402","0.0006","25.188","0.002","90","","98.39","0.003","90","","2927.9","0.3","153","2","153","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H18 N2 O4 -","- C15 H18 N2 O4 -","- C120 H144 N16 O32 -","8","2","","Magnus, Philip; Padilla, Angela I.","Proposed biogenetic origin of secu'amamine A from allosecurinine: a model study to support the intermediacy of the putative aziridinium ion.","Organic letters","2006","8","16","3569","3571","10.1021/ol061391a","","","0.71073","MoKα","","0.1934","0.1119","","","0.1899","0.2003","","","","","","2.134","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506140","21.944","0.0004","9.183","0.0002","15.902","0.0004","90","","99.197","0.0007","90","","3163.25","0.12","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C15 H21 N2 O5.5 -","- C15 H20.5 N2 O5.5 -","- C120 H164 N16 O44 -","8","1","","Magnus, Philip; Padilla, Angela I.","Proposed biogenetic origin of secu'amamine A from allosecurinine: a model study to support the intermediacy of the putative aziridinium ion.","Organic letters","2006","8","16","3569","3571","10.1021/ol061391a","","","0.7107","MoKα","","0.1616","0.0964","","","0.2159","0.2271","","","","","","2.878","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506141","12.6761","0.0011","9.1007","0.0008","7.4679","0.0007","90","","93.289","0.002","90","","860.09","0.13","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H6 Cl N3 O -","- C8 H6 Cl N3 O -","- C32 H24 Cl4 N12 O4 -","4","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0769","0.0517","","","0.1349","0.1489","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506142","9.2953","0.0003","10.7596","0.0003","10.7786","0.0002","93.674","0.001","110.314","0.001","111.876","0.001","914.7","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H6 Br N3 O -","- C8 H6 Br N3 O -","- C32 H24 Br4 N12 O4 -","4","2","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0765","0.0372","","","0.0853","0.0978","","","","","","0.924","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506143","10.5307","0.0009","7.9709","0.0007","29.396","0.003","90","","90","","90","","2467.5","0.4","294","2","294","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.1045","0.0517","","","0.1428","0.1667","","","","","","1.002","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506144","5.9414","0.0005","14.8154","0.0013","26.69","0.002","90","","90","","90","","2349.4","0.3","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C14 H11 N3 O -","- C14 H11 N3 O -","- C112 H88 N24 O8 -","8","1","","Mandel, Sarah M.; Singh, Pradeep N. D.; Muthukrishnan, Sivaramakrishnan; Chang, Mingxin; Krause, Jeanette A.; Gudmundsdóttir, Anna D","Solid-state photolysis of alpha-azidoacetophenones.","Organic letters","2006","8","19","4207","4210","10.1021/ol061398s","","","0.71073","MoKα","","0.0967","0.045","","","0.0825","0.0972","","","","","","0.94","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506145","16.754","0.003","6.7136","0.0014","25.22","0.005","90","","96.207","0.003","90","","2820.1","1","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 O3 P2 -","- C36 H26 O3 P2 -","- C144 H104 O12 P8 -","4","1","","Vecchi, Paul A.; Padmaperuma, Asanga B.; Qiao, Hong; Sapochak, Linda S.; Burrows, Paul E.","A dibenzofuran-based host material for blue electrophosphorescence.","Organic letters","2006","8","19","4211","4214","10.1021/ol0614121","","","0.71073","MoKα","","0.0574","0.0432","","","0.1145","0.1242","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506146","20.8896","0.0007","8.0132","0.0004","11.049","0.0004","90","","111.737","0.003","90","","1718.01","0.13","150","2","150","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C18 H28 O4 -","- C18 H28 O4 -","- C72 H112 O16 -","4","1","","Crawford, Claire; Nelson, Adam; Patel, Ian","Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B.","Organic letters","2006","8","19","4231","4234","10.1021/ol0614323","","x-ray","0.71073","MoKα","","0.053","0.0483","","","0.1182","0.1234","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506147","15.6987","0.0002","7.7054","0.0001","29.3165","0.0003","90","","90","","90","","3546.26","0.07","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C18 H30 O4 -","- C18 H30 O4 -","- C144 H240 O32 -","8","2","","Crawford, Claire; Nelson, Adam; Patel, Ian","Development of an approach to the synthesis of the ABC ring system of Hemibrevetoxin B.","Organic letters","2006","8","19","4231","4234","10.1021/ol0614323","","","0.71073","MoKα","","0.1069","0.0958","","","0.2327","0.2434","","","","","","1.111","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506148","11.0388","0.0014","12.2504","0.0015","15.617","0.002","90","","99.91","0.002","90","","2080.4","0.5","98","2","98","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24 H27 N3 O4 -","- C24 H27 N3 O4 -","- C96 H108 N12 O16 -","4","1","","Crawley, Seth L.; Funk, Raymond L.","Generation of aza-ortho-xylylenes via ring opening of 2-(2-acylaminophenyl)aziridines: application in the construction of the communesin ring system.","Organic letters","2006","8","18","3995","3998","10.1021/ol061461d","","","0.71073","MoKα","","0.0509","0.0446","","","0.1169","0.1213","","","","","","1.054","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506149","15.568","0.003","8.5131","0.0016","15.752","0.003","90","","116.33","0.004","90","","1871.1","0.6","103","2","103","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H23 N3 O2 -","- C23 H23 N3 O2 -","- C92 H92 N12 O8 -","4","1","","Crawley, Seth L.; Funk, Raymond L.","Generation of aza-ortho-xylylenes via ring opening of 2-(2-acylaminophenyl)aziridines: application in the construction of the communesin ring system.","Organic letters","2006","8","18","3995","3998","10.1021/ol061461d","","","0.71073","MoKα","","0.0868","0.054","","","0.1264","0.1402","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506150","9.323","0.004","9.372","0.004","23.298","0.009","90","","92.139","0.007","90","","2034.2","1.5","108","2","108","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H28 N2 O7 -","- C20 H28 N2 O7 -","- C80 H112 N8 O28 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Generation of N-acyliminium ions via intramolecular conjugate addition reactions: a strategy for the total synthesis of nakadomarin A.","Organic letters","2006","8","17","3833","3836","10.1021/ol061463y","","","0.71073","MoKα","","0.0952","0.0611","","","0.1339","0.1487","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506151","18.465","0.006","9.25","0.003","12.676","0.004","90","","110.308","0.006","90","","2030.5","1.1","123","2","123","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C20 H26 N2 O6 -","- C20 H26 N2 O6 -","- C80 H104 N8 O24 -","4","1","","Nilson, Mark G.; Funk, Raymond L.","Generation of N-acyliminium ions via intramolecular conjugate addition reactions: a strategy for the total synthesis of nakadomarin A.","Organic letters","2006","8","17","3833","3836","10.1021/ol061463y","","","0.71073","MoKα","","0.0466","0.0414","","","0.0966","0.0994","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506152","10.5361","0.001","11.1344","0.001","13.6933","0.0012","90","","108.702","0.001","90","","1521.6","0.2","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Turrapubesin A","","","- C31 H39 Cl O9 -","- C31 H39 Cl O9 -","- C62 H78 Cl2 O18 -","2","1","","Wang, Xiao-Ning; Yin, Sheng; Fan, Cheng-Qi; Wang, Fang-Dao; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min","Turrapubesins A and B, first examples of halogenated and maleimide-bearing limonoids in nature from Turraea pubescens.","Organic letters","2006","8","17","3845","3848","10.1021/ol061466a","","","0.71073","MoKα","","0.0703","0.0585","","","0.1598","0.168","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506153","10.7956","0.0003","20.8712","0.0005","22.6826","0.0006","91.146","0.001","114.327","0.001","89.589","0.001","4656.1","0.2","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C110 H86 N8 O Zn -","- C110 H86 N8 O Zn -","- C220 H172 N16 O2 Zn2 -","2","1","","Yen, Wei-Nan; Lo, Shang-Shih; Kuo, Ming-Cheng; Mai, Chi-Lun; Lee, Gene-Hsiang; Peng, Shie-Ming; Yeh, Chen-Yu","Synthesis, structure, and optical and electrochemical properties of star-shaped porphyrin-triarylamine conjugates.","Organic letters","2006","8","19","4239","4242","10.1021/ol061478w","","","0.71073","MoKα","","0.1224","0.0782","","","0.2235","0.2548","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506154","6.0952","0.0003","16.8339","0.0008","11.9653","0.0006","90","","96.885","0.002","90","","1218.86","0.1","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C27 H29 N O2 Si -","- C27 H29 N O2 Si -","- C54 H58 N2 O4 Si2 -","2","1","","Cho, Chang-Woo; Krische, Michael J.","Alpha-hydroxy esters via enantioselective hydrogen-mediated C-C coupling: regiocontrolled reactions of silyl-substituted 1,3-diynes.","Organic letters","2006","8","17","3873","3876","10.1021/ol061485k","","","0.71073","MoKα","","0.0572","0.0389","","","0.0784","0.0859","","","","","","1.032","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506155","6.3696","0.0002","7.2069","0.0002","29.1029","0.001","90","","90","","90","","1335.97","0.07","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","(2R,3aR,5aR,7aS,10aS,10bS,10cR)-2-methoxy-2,3,3a,7a,8, 10a,10b,10c-octahydro-5aH-1,9-dioxa- dicyclopenta[a,h]naphthalen-10-one","","- C15 H18 O4 -","- C15 H18 O4 -","- C60 H72 O16 -","4","1","","Felzmann, Wolfgang; Arion, Vladimir B.; Mieusset, Jean-Luc; Mulzer, Johann","A tether controlled exo-selective trans-annular Diels-Alder (TADA) reaction.","Organic letters","2006","8","17","3849","3851","10.1021/ol061510m","","","0.71073","MoKα","","0.0481","0.0388","","","0.0948","0.1003","","","","","","1.093","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506156","13.4544","0.0013","6.9898","0.0007","13.6325","0.0013","90","","95.487","0.002","90","","1276.2","0.2","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H14 O3 -","- C16 H14 O3 -","- C64 H56 O12 -","4","1","","Ye, Long-Wu; Sun, Xiu-Li; Zhu, Chun-Yin; Tang, Yong","Unexpected tandem ylide annulation reaction for controllable synthesis of 2H-chromenes and 4H-chromenes.","Organic letters","2006","8","17","3853","3856","10.1021/ol0615174","","","0.71073","MoKα","","0.067","0.0542","","","0.1479","0.158","","","","","","0.999","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506157","7.103","0.001","13.709","0.001","14.869","0.001","90","","90","","90","","1447.9","0.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O5 -","- C17 H14 N2 O5 -","- C68 H56 N8 O20 -","4","1","","Das, Suven; Fröhlich, Roland; Pramanik, Animesh","Synthesis and fluorescent properties of a new class of heterocycles of isoindole fused imidazoles with phenolic subunits.","Organic letters","2006","8","19","4263","4266","10.1021/ol061520n","","","1.54178","CuKα","","0.0271","0.027","","","0.0724","0.0725","","","","","","1.07","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506158","12.246","0.0003","23.6665","0.0006","11.8579","0.0003","90","","113.398","0.001","90","","3154.05","0.14","373","2","100","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C37 H32 N2 O7 -","- C37 H32 N2 O7 -","- C148 H128 N8 O28 -","4","1","","Johns, Deidre M.; Mori, Makoto; Williams, Robert M.","Synthetic studies on quinine: quinuclidine construction via a ketone enolate regio- and diastereoselective Pd-mediated allylic alkylation.","Organic letters","2006","8","18","4051","4054","10.1021/ol061524s","","","0.71073","MoKα","","0.0858","0.0504","","","0.1184","0.1365","","","","","","1.007","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1506159","8.777","0.001","13.634","0.002","12.888","0.002","90","","109.04","0.01","90","","1457.9","0.4","287","2","287","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 N O4 -","- C16 H19 N O4 -","- C64 H76 N4 O16 -","4","1","","Li, Guo-You; Li, Bo-Gang; Yang, Tao; Liu, Guang-Ye; Zhang, Guo-Lin","Chaetoindicins A-C, three isoquinoline alkaloids from the fungus Chaetomium indicum.","Organic letters","2006","8","16","3613","3615","10.1021/ol061525k","","","0.71073","MoKα","","0.0727","0.0417","","","0.0936","0.1008","","","","","","0.945","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506160","5.6494","0.0001","20.1371","0.0002","13.3458","0.0002","90","","93.685","0.001","90","","1515.11","0.04","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 N O S -","- C19 H17 N O S -","- C76 H68 N4 O4 S4 -","4","1","","Majumdar, K. C.; Alam, S.","Regioselective unusual formation of spirocyclic 4-{2'-benzo(2',3'-dihydro)furo}- 9-methyl-2,3,9-trihydrothiopyrano[2,3-b]indole by 4-exo-trig aryl radical cyclization and rearrangement.","Organic letters","2006","8","18","4059","4062","10.1021/ol061531g","","","0.71073","MoKα","","0.0476","0.0381","","","0.0984","0.1048","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506161","26.437","0.003","9.373","0.0011","19.0763","0.0016","90","","105.419","0.007","90","","4556.9","0.9","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C50 H64 O8 -","- C50 H46 O8 -","- C200 H184 O32 -","4","0.5","","Masci, Bernardo; Levi Mortera, Stefano; Persiani, Daniela; Thuéry, Pierre","CsF-promoted acetyl dance at the narrow rim of p-tert-butyl[3.1.3.1]homooxacalixarene.","Organic letters","2006","8","20","4405","4408","10.1021/ol061544u","","","0.71073","MoKα","","0.155","0.1311","","","0.3004","0.3126","","","","","","1.097","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506162","11.2074","0.0005","13.3796","0.001","16.7503","0.0011","81.543","0.004","77.386","0.004","89.998","0.004","2423.1","0.3","100","2","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C53 H70 O9 -","- C53 H70 O9 -","- C106 H140 O18 -","2","1","","Masci, Bernardo; Levi Mortera, Stefano; Persiani, Daniela; Thuéry, Pierre","CsF-promoted acetyl dance at the narrow rim of p-tert-butyl[3.1.3.1]homooxacalixarene.","Organic letters","2006","8","20","4405","4408","10.1021/ol061544u","","","0.71073","MoKα","","0.0577","0.0428","","","0.1085","0.1172","","","","","","1","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506163","9.214","0.005","10.191","0.005","9.606","0.007","90","","111.68","0.03","90","","838.2","0.9","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H20 O2 -","- C21 H20 O2 -","- C42 H40 O4 -","2","1","","Kamikawa, Ken; Shimizu, Yasunori; Takemoto, Shin; Matsuzaka, Hiroyuki","Nickel-catalyzed [3+1+1] cycloaddition reactions of alkenyl Fischer carbene complexes with methylenecyclopropanes.","Organic letters","2006","8","18","4011","4014","10.1021/ol061559s","","","0.71075","MoKα","","0.101","0.0542","","","0.1197","0.1403","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506164","14.894","0.007","25.242","0.013","19.3","0.008","90","","110.11","0.04","90","","6814","6","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H50 Cl6 N4 O4 S2 -","- C56 H50 Cl6 N4 O4 S2 -","- C224 H200 Cl24 N16 O16 S8 -","4","1","","Kamikawa, Ken; Shimizu, Yasunori; Takemoto, Shin; Matsuzaka, Hiroyuki","Nickel-catalyzed [3+1+1] cycloaddition reactions of alkenyl Fischer carbene complexes with methylenecyclopropanes.","Organic letters","2006","8","18","4011","4014","10.1021/ol061559s","","","0.71075","MoKα","","0.3993","0.2166","","","0.466","0.5352","","","","","","1.293","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506165","6.126","0.002","7.3524","0.0013","29.508","0.005","90","","90","","90","","1329.1","0.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C7 H20 B Na O9 -","- C7 H20 B Na O9 -","- C28 H80 B4 Na4 O36 -","4","1","","Cammidge, Andrew N.; Goddard, Victoria H. M.; Gopee, Hemant; Harrison, Nicola L.; Hughes, David L.; Schubert, Christopher J.; Sutton, Benjamin M.; Watts, Gary L.; Whitehead, Andrew J.","Aryl trihydroxyborates: easily isolated discrete species convenient for direct application in coupling reactions.","Organic letters","2006","8","18","4071","4074","10.1021/ol061564w","","","0.71069","Mo-Kα","","0.042","0.0351","","","0.0802","0.0846","","","","","","1.086","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506166","11.0011","0.0013","12.2123","0.0015","11.1592","0.0013","90","","97.2768","0.0018","90","","1487.1","0.3","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O6 -","- C17 H18 O6 -","- C68 H72 O24 -","4","1","","Song, Dong; McDonald, Robert; West, F. G.","Diastereoselective [4 + 4]-photocycloaddition reactions of pyran-2-ones: rapid access to functionalized 5-8-5 skeletons.","Organic letters","2006","8","18","4075","4078","10.1021/ol061576h","","","0.71073","MoKα","","0.0419","0.0352","","","0.089","0.0945","","","","","","1.038","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506167","6.0006","0.0008","8.0097","0.0011","14.4792","0.0019","90","","90.68","0.002","90","","695.86","0.16","193","2","193","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C17 H20 O6 -","- C17 H20 O6 -","- C34 H40 O12 -","2","1","","Song, Dong; McDonald, Robert; West, F. G.","Diastereoselective [4 + 4]-photocycloaddition reactions of pyran-2-ones: rapid access to functionalized 5-8-5 skeletons.","Organic letters","2006","8","18","4075","4078","10.1021/ol061576h","","","0.71073","MoKα","","0.0444","0.0363","","","0.0748","0.0837","","","","","","1.054","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506168","6.072","0.004","15.035","0.004","22.423","0.006","90","0.02","90","0.04","90","0.04","2047.1","1.6","295","2","295","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 O6 -","- C23 H26 O6 -","- C92 H104 O24 -","4","1","","Xu, Gang; Hou, Ai-Jun; Wang, Rui-Rui; Liang, Guang-Yu; Zheng, Yong-Tang; Liu, Ze-Yuan; Li, Xiao-Li; Zhao, Yu; Huang, Sheng-Xiong; Peng, Li-Yan; Zhao, Qin-Shi","Przewalskin A: A new C23 terpenoid with a 6/6/7 carbon ring skeleton from Salvia przewalskii maxim.","Organic letters","2006","8","20","4453","4456","10.1021/ol061609t","","","0.71073","MoKα","","0.1322","0.0508","","","0.1281","0.1625","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506169","10.389","0.002","11.02","0.002","14.128","0.002","88.08","0.01","73.29","0.01","69.02","0.01","1442.1","0.5","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C26 H40 N2 O8 S2 -","- C26 H40 N2 O8 S2 -","- C52 H80 N4 O16 S4 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.087","","","","0.2231","","","","","","2.141","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506170","5.6042","0.0009","10.207","0.001","14.106","0.002","74.48","0.01","78.5","0.01","75.38","0.01","744.74","0.18","213.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N O2.5 S1.5 -","- C13 H17 N O4 S -","- C26 H34 N2 O8 S2 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.1318","","","","0.325","","","","","","2.733","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506171","5.554","0.001","10.241","0.002","13.571","0.003","76.31","0.02","78.81","0.02","75.28","0.02","717.9","0.3","93.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H19 N O3 S -","- C14 H18 N O3 S -","- C28 H36 N2 O6 S2 -","2","1","","Mizobe, Yuji; Miyata, Mikiji; Hisaki, Ichiro; Hasegawa, Yasuchika; Tohnai, Norimitsu","Anomalous anthracene arrangement and rare excimer emission in the solid state: transcription and translation of molecular information.","Organic letters","2006","8","19","4295","4298","10.1021/ol0616440","","","1.5419","CuKα","","","0.1371","","","","0.3264","","","","","","3.259","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506172","8.536","0.0002","9.6894","0.0003","10.5913","0.0003","79.31","0.002","68.379","0.002","79.786","0.002","794.51","0.04","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H20 N2 O5 S2 -","- C13 H20 N2 O5 S2 -","- C26 H40 N4 O10 S4 -","2","1","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0502","0.0381","","","0.0952","0.1041","","","","","","1.03","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506173","11.7943","0.0006","7.8523","0.0002","20.6581","0.001","90","","95.796","0.002","90","","1903.42","0.14","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H24 N2 O5 S2 -","- C16 H24 N2 O5 S2 -","- C64 H96 N8 O20 S8 -","4","1","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0852","0.0464","","","0.1093","0.1282","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506174","15.5689","0.0003","11.3899","0.0002","17.4891","0.0004","90","","96.7179","0.0011","90","","3080.02","0.11","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N2 O5 S2 -","- C13 H18 N2 O5 S2 -","- C104 H144 N16 O40 S16 -","8","2","","Toumieux, Sylvestre; Compain, Philippe; Martin, Olivier R.; Selkti, Mohamed","New aspects of catalytic intramolecular C-H amination: unexpected formation of a seven-membered ring in nitrogen-containing systems.","Organic letters","2006","8","20","4493","4496","10.1021/ol061649x","","","0.71073","MoKα","","0.0629","0.0461","","","0.132","0.1474","","","","","","0.95","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506175","9.8222","0.001","15.7753","0.0016","17.0784","0.0017","90","","100.61","0.002","90","","2601","0.5","168","2","168","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 O3 Si -","- C25 H42 O3 Si -","- C100 H168 O12 Si4 -","4","1","","Clark, Timothy B.; Woerpel, K. A.","Formation and reactivity of silacyclopropenes derived from siloxyalkynes: stereoselective formation of 1,2,4-triols.","Organic letters","2006","8","18","4109","4112","10.1021/ol061652g","","","0.71073","MoKα","","0.0468","0.0354","","","0.0878","0.0973","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506176","11.4318","0.0011","11.9829","0.0011","16.2499","0.0016","70.808","0.002","87.714","0.002","80.765","0.002","2074.8","0.3","253","2","253","2","","","","","","","","3","P -1","-P 1","2","","","","- C20 H32 O3 -","- C20 H32 O3 -","- C80 H128 O12 -","4","2","","Clark, Timothy B.; Woerpel, K. A.","Formation and reactivity of silacyclopropenes derived from siloxyalkynes: stereoselective formation of 1,2,4-triols.","Organic letters","2006","8","18","4109","4112","10.1021/ol061652g","","","0.71073","MoKα","","0.1697","0.1305","","","0.3737","0.3986","","","","","","2.664","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506177","6.068","0.0006","10.6903","0.001","14.2193","0.0014","90","","92.64","0.002","90","","921.41","0.15","193","2","193","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 O4 -","- C10 H12 O4 -","- C40 H48 O16 -","4","1","","Leyhane, Andrew J.; Snapper, Marc L.","Functionalized oxepines via fragmentation of highly strained epoxides.","Organic letters","2006","8","23","5183","5186","10.1021/ol061682j","","","0.71073","MoKα","","0.0578","0.0472","","","0.1265","0.1318","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506178","10.7652","0.0015","5.778","0.0009","25.226","0.004","90","","96.903","0.004","90","","1557.7","0.4","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 N2 O8 -","- C16 H14 N2 O8 -","- C64 H56 N8 O32 -","4","1","","Leyhane, Andrew J.; Snapper, Marc L.","Functionalized oxepines via fragmentation of highly strained epoxides.","Organic letters","2006","8","23","5183","5186","10.1021/ol061682j","","","0.71073","MoKα","","0.1077","0.0956","","","0.2628","0.2731","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506179","9.458","0.002","11.332","0.002","13.604","0.002","76.51","0.01","86.68","0.02","82.32","0.02","1404.6","0.4","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C31 H31 I N P Pd -","- C31 H31 I N P Pd -","- C62 H62 I2 N2 P2 Pd2 -","2","1","","Beccalli, Egle M.; Broggini, Gianluigi; Martinelli, Michela; Masciocchi, Norberto; Sottocornola, Silvia","New 4-spiroannulated tetrahydroisoquinolines by a one-pot sequential procedure. isolation and characterization of sigma-alkylpalladium heck intermediates.","Organic letters","2006","8","20","4521","4524","10.1021/ol061693c","","","0.71073","MoKα","","0.0245","0.021","","","0.0497","0.0514","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506180","7.2601","0.0008","17.0441","0.0019","11.6153","0.0013","90","","105.116","0.002","90","","1387.6","0.3","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","06167a","","","- C18 H16 O4 -","- C18 H16 O4 -","- C72 H64 O16 -","4","1","","Sessions, E. Hampton; Jacobi, Peter A.","Studies on the synthesis of furanosteroids. I. Viridin models.","Organic letters","2006","8","18","4125","4128","10.1021/ol061697h","","","0.71073","MoKα","","0.0689","0.053","","","0.1051","0.1103","","","","","","1.143","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506181","53.619","0.008","12.3613","0.0018","18.615","0.003","90","","108.317","0.002","90","","11713","3","120","2","120","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C93.95 H22.6 N2 O4 S2.7 -","- C93.95 H22.6 N2 O4 S2.7 -","- C751.6 H180.8 N16 O32 S21.6 -","8","1","","Chuang, Shih-Ching; Clemente, Fernando R.; Khan, Saeed I.; Houk, K. N.; Rubin, Yves","Approaches to open fullerenes: a 1,2,3,4,5,6-hexaadduct of C60.","Organic letters","2006","8","20","4525","4528","10.1021/ol061707e","","","0.71073","MoKα","","0.178","0.123","","","0.3062","0.335","","","","","","1.087","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506182","6.1879","0.0006","6.6386","0.0006","30.879","0.003","90","","90","","90","","1268.5","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N5 O5 -","- C11 H15 N5 O5 -","- C44 H60 N20 O20 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.032","0.0312","","","0.0806","0.0812","","","","","","1.099","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506183","10.9634","0.0005","6.2492","0.0003","24.277","0.0017","90","","97.714","0.003","90","","1648.23","0.16","297","2","297","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H33 N5 O8 -","- C35 H33 N5 O8 -","- C70 H66 N10 O16 -","2","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.0418","0.0357","","","0.0949","0.0996","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506184","6.9156","0.0004","9.5678","0.0006","14.8356","0.0009","90","","97.897","0.002","90","","972.32","0.1","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H9 N5 O2 -","- C8 H9 N5 O2 -","- C32 H36 N20 O8 -","4","1","","Nowak, Ireneusz; Cannon, John F.; Robins, Morris J.","N-oxides of adenosine-type nucleosides undergo pyrimidine ring opening and closure to give 5-amino-4-(1,2,4-oxadiazol-3-yl)imidazole derivatives.","Organic letters","2006","8","20","4565","4568","10.1021/ol061715v","","","1.54178","CuKα","","0.0371","0.0365","","","0.1011","0.1019","","","","","","1.05","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506185","6.986","0.007","11.755","0.011","25.4","0.02","90","","90","","90","","2086","3","142","2","142","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H27 N O6 -","- C24 H27 N O6 -","- C96 H108 N4 O24 -","4","1","","Feldman, Ken S.; Karatjas, Andrew G.","Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.","Organic letters","2006","8","18","4137","4140","10.1021/ol0617244","","","0.71073","MoKα","","0.125","0.0981","","","0.2659","0.2782","","","","","","1.053","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506186","12.794","0.003","12.794","0.003","24.424","0.007","90","","90","","120","","3462.3","1.5","123","2","123","2","","","","","","","","4","P 32 2 1","P 32 2""","154","","","","- C26 H29 N O5 -","- C26 H29 N O5 -","- C156 H174 N6 O30 -","6","1","","Feldman, Ken S.; Karatjas, Andrew G.","Extending Pummerer reaction chemistry. Asymmetric synthesis of spirocyclic oxindoles via chiral indole-2-sulfoxides.","Organic letters","2006","8","18","4137","4140","10.1021/ol0617244","","","0.71073","MoKα","","0.059","0.0562","","","0.1574","0.1626","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506187","26.12","0.005","9.092","0.0018","11.853","0.002","90","","90","","90","","2814.9","0.9","183","2","183","2","","","","","","","","3","P b c n","-P 2n 2ab","60","","","","- C32 H40 O6 -","- C32 H40 O6 -","- C128 H160 O24 -","4","0.5","","Bérubé, Amélie; Drutu, Ioana; Wood, John L.","Progress toward the total synthesis of bacchopetiolone: application of a tandem aromatic oxidation/Diels-Alder reaction.","Organic letters","2006","8","24","5421","5424","10.1021/ol061737h","","","0.71073","MoKα","","0.1169","0.0764","","","0.2128","0.2252","","","","","","1.534","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506188","33.2904","0.0006","4.6499","0.0001","21.8825","0.0003","90","","129.954","0.001","90","","2596.6","0.09","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C34 H24 N4 O4 -","- C34 H24 N4 O4 -","- C136 H96 N16 O16 -","4","0.5","","Maes, Wouter; Van Rossom, Wim; Van Hecke, Kristof; Van Meervelt, Luc; Dehaen, Wim","Selective synthesis of functionalized thia- and oxacalix[2]arene[2]pyrimidines.","Organic letters","2006","8","18","4161","4164","10.1021/ol0617446","","","1.54178","CuKα","","0.0443","0.041","","","0.1072","0.1107","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506189","14.298","0.003","9.036","0.002","24.098","0.006","90","","103.915","0.004","90","","3022","1.2","120.1","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C69 H51 Cl9 N4 -","- C69 H51 Cl9 N4 -","- C138 H102 Cl18 N8 -","2","0.5","","Higuchi, Masayoshi; Shomura, Ryo; Ohtsuka, Yuhki; Hayashi, Akari; Yamamoto, Kimihisa; Kurth, Dirk G.","Sequential metal ion assembly in cyclic phenylazomethine.","Organic letters","2006","8","21","4723","4726","10.1021/ol061758b","","","0.71069","MoKα","","","0.0609","","","","0.1891","","","","","","0.991","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506190","10.4953","0.0002","12.5604","0.0002","18.7166","0.0003","93.594","0.001","102.2","0.001","106.121","0.001","2297.33","0.07","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C94 H70 Cl8 -","- C94 H70 Cl8 -","- C94 H70 Cl8 -","1","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1719","0.139","","","0.3195","0.3486","","","","","","2.083","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506191","28.4006","0.0005","10.1973","0.0003","16.7659","0.0004","90","","113.988","0.0011","90","","4436.19","0.19","295","2","295","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C57 H43 Cl2 -","- C57 H43 Cl2 -","- C228 H172 Cl8 -","4","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1374","0.096","","","0.2326","0.2401","","","","","","1.873","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506192","10.5923","0.0003","10.641","0.0003","10.6696","0.0003","102.995","0.001","109.818","0.001","106.515","0.001","1013.57","0.05","295","2","295","2","","","","","","","","2","P -1","-P 1","2","","","","- C55 H46 -","- C55 H46 -","- C55 H46 -","1","0.5","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.0783","0.0513","","","0.1354","0.1468","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506193","9.9995","0.0002","21.0286","0.0003","28.2579","0.0005","90","","97.321","0.0009","90","","5893.5","0.18","295","2","295","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C71 H56 Cl6 -","- C71 H56 Cl6 -","- C284 H224 Cl24 -","4","1","","Wong, Ken-Tsung; Chi, Liang-Chen; Huang, Shih-Chiang; Liao, Yuan-Li; Liu, Yi-Hung; Wang, Yu","Coplanarity in the backbones of ladder-type oligo(p-phenylene) homologues and derivatives.","Organic letters","2006","8","22","5029","5032","10.1021/ol061762n","","","0.71073","MoKα","","0.1963","0.0821","","","0.1925","0.2636","","","","","","1.038","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506194","15.8018","0.0008","10.593","0.0006","13.4179","0.0004","90","","99.317","0.003","90","","2216.37","0.18","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H28 B10 Si2 -","- C14 H28 B10 Si2 -","- C56 H112 B40 Si8 -","4","1","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0787","0.046","","","0.1055","0.1167","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506195","7.7775","0.0002","14.1714","0.0003","15.9281","0.0005","96.034","0.002","103.042","0.002","100.443","0.002","1662.3","0.08","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C9 H22 B10 Si -","- C9 H22 B10 Si -","- C36 H88 B40 Si4 -","4","2","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0559","0.0426","","","0.107","0.1142","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506196","16.7308","0.0012","13.0118","0.0005","19.7733","0.0013","90","","113.094","0.002","90","","3959.6","0.4","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 B10 Si -","- C14 H24 B10 Si -","- C112 H192 B80 Si8 -","8","2","","Núñez, Rosario; Gonzalez-Campo, Arantzazu; Laromaine, Anna; Teixidor, Francesc; Sillanpää, Reijo; Kivekäs, Raikko; Viñas, Clara","Synthesis of small carboranylsilane dendrons as scaffolds for multiple functionalizations.","Organic letters","2006","8","20","4549","4552","10.1021/ol061767k","","x-ray","0.71073","Mokα","","0.0949","0.0535","","","0.123","0.1398","","","","","","1.041","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506197","15.884","0.0005","10.915","0.0003","23.3469","0.0007","90","","109.874","0.0015","90","","3806.7","0.2","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C50 H44 O S -","- C50 H44 O S -","- C200 H176 O4 S4 -","4","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1725","0.0791","","","0.1891","0.2344","","","","","","1.186","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506198","10.5328","0.0001","14.2613","0.0002","17.205","0.0003","67.351","0.0007","72.196","0.0008","70.479","0.0008","2200.91","0.06","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H45 N -","- C60 H45 N -","- C120 H90 N2 -","2","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.111","0.0596","","","0.1452","0.178","","","","","","1.023","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506199","9.0731","0.0006","14.1751","0.0007","14.4817","0.0009","73.659","0.003","81.407","0.003","77.206","0.004","1735.34","0.18","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C44 H34 S2 -","- C44 H34 S2 -","- C88 H68 S4 -","2","1","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1551","0.0637","","","0.1365","0.1821","","","","","","1.016","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506200","9.8963","0.0003","10.7278","0.0005","10.7354","0.0004","110.407","0.002","104.026","0.002","107.311","0.002","940.43","0.07","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C52 H38 S2 -","- C52 H38 S2 -","- C52 H38 S2 -","1","0.5","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.1106","0.0612","","","0.149","0.1822","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506201","10.3765","0.0002","10.4444","0.0002","10.7639","0.0002","107.404","0.001","109.796","0.001","99.034","0.001","1003.08","0.04","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C46 H38 Cl4 S2 -","- C46 H38 Cl4 S2 -","- C46 H38 Cl4 S2 -","1","0.5","","Wong, Ken-Tsung; Chao, Teng-Chih; Chi, Liang-Chen; Chu, Ying-Ying; Balaiah, Akula; Chiu, Shih-Feng; Liu, Yi-Hung; Wang, Yu","Syntheses and structures of novel heteroarene-fused coplanar pi-conjugated chromophores.","Organic letters","2006","8","22","5033","5036","10.1021/ol061791y","","","0.71073","MoKα","","0.0706","0.0555","","","0.153","0.1789","","","","","","1.062","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506202","5.03","0.0004","12.3658","0.0009","14.072","0.001","102.516","0.001","95.968","0.001","95.375","0.001","843.74","0.11","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C9.5 H11.5 N0.5 O S0.5 -","- C19 H23 N O2 S -","- C38 H46 N2 O4 S2 -","2","1","","Kim, Soo Min; Lee, Sang Ick; Chung, Young Keun","GaCl3-catalyzed formation of eight-membered rings from enynes bearing a cyclic olefin.","Organic letters","2006","8","24","5425","5427","10.1021/ol061801v","","","0.71073","MoKα","","0.0576","0.0446","","","0.1148","0.131","","","","","","1.146","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506203","5.5389","0.0005","8.4692","0.0008","27.111","0.003","90","","90","","90","","1271.8","0.2","138","","138","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C13 H14 Br N O -","- C13 H14 Br N O -","- C52 H56 Br4 N4 O4 -","4","1","","Wender, Paul A.; Horan, Joshua C.","Synthesis and PKC binding of a new class of a-ring diversifiable bryostatin analogues utilizing a double asymmetric hydrogenation and cross-coupling strategy.","Organic letters","2006","8","20","4581","4584","10.1021/ol0618149","","","0.71073","MoKα","","0.0299","0.0271","","","0.0618","0.0625","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506204","13.328","0.007","22.154","0.008","15.638","0.006","90","0.005","108.17","0.006","90","0.005","4387","3","173.2","","","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C38 H54 Cl7 N O2 Si -","- C38 H54 Cl7 N O2 Si -","- C152 H216 Cl28 N4 O8 Si4 -","4","1","","Kondo, Shin-Ichi; Harada, Tomomi; Tanaka, Ryoji; Unno, Masafumi","Anion recognition by a silanediol-based receptor.","Organic letters","2006","8","20","4621","4624","10.1021/ol061822p","","","0.7107","MoKα","","","0.0793","","","","0.2238","","","","","","1.774","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506205","6.0107","0.0003","15.0074","0.0007","25.3448","0.0011","90","","90","","90","","2286.23","0.19","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C28 H23 Br O5 -","- C28 H23 Br O5 -","- C112 H92 Br4 O20 -","4","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0456","0.0333","","","0.0685","0.0727","","","","","","0.982","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506206","13.1894","0.0018","5.199","0.001","17.152","0.003","90","","110.015","0.007","90","","1105.1","0.3","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H23 Br O5 -","- C26 H23 Br O5 -","- C52 H46 Br2 O10 -","2","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0514","0.0388","","","0.0816","0.0857","","","","","","0.979","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506207","10.0462","0.0007","5.387","0.0004","19.6191","0.0014","90","","100.504","0.002","90","","1043.97","0.13","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H23 Br O5 -","- C23 H23 Br O5 -","- C46 H46 Br2 O10 -","2","1","","Yeager, Adam R.; Min, Geanna K.; Porco, Jr, John A; Schaus, Scott E.","Exploring skeletal diversity via ring contraction of glycal-derived scaffolds.","Organic letters","2006","8","22","5065","5068","10.1021/ol0618252","","","0.71073","MoKα","","0.0539","0.0384","","","0.0819","0.0869","","","","","","0.964","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506208","7.4562","0.0012","16.273","0.003","11.316","0.002","90","","95.83","0.1","90","","1365.9","0.5","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","amino-pyrrolo[2,3-b]quinoxaline","1H-3a,8,13,13b-tetraazabenzo[b]cyclohepta[1,2,3-jk]fluorene","","- C17 H18 N4 -","- C17 H18 N4 -","- C68 H72 N16 -","4","1","","Gryko, Daniel T.; Piechowska, Joanna; Tasior, Mariusz; Waluk, Jacek; Orzanowska, Grazyna","From bifunctional nucleophilic behavior of DBU to a new heterocyclic fluorescent platform.","Organic letters","2006","8","21","4747","4750","10.1021/ol061827m","","","0.71073","MoKα","","0.1374","0.0691","","","0.169","0.1954","","","","","","0.96","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506209","10.447","0.002","11.215","0.002","37.269","0.008","90","","90","","90","","4366.6","1.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O3 -","- C25 H31 N O3 -","- C200 H248 N8 O24 -","8","2","","Lebeuf, Raphaël; Robert, Frédéric; Schenk, Kurt; Landais, Yannick","Desymmetrization of cyclohexa-2,5-dienes through a diastereoselective protonation-hydroamination cascade.","Organic letters","2006","8","21","4755","4758","10.1021/ol0618353","","","0.71073","MoKα","","0.0635","0.0463","","","0.061","0.0618","","","","","","2.765","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506210","6.8719","0.0002","8.3968","0.0002","12.8819","0.0004","90","","98.659","0.002","90","","734.84","0.04","153","2","153","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C14 H17 Cl O3 S -","- C14 H17 Cl O3 S -","- C28 H34 Cl2 O6 S2 -","2","1","","Zhao, Hongda; Gorman, Jeffrey S. T.; Pagenkopf, Brian L.","Advances in Lewis acid controlled carbon-carbon bond-forming reactions enable a concise and convergent total synthesis of bullatacin.","Organic letters","2006","8","19","4379","4382","10.1021/ol061847o","","","0.71073","MoKα","","0.0487","0.0346","","","0.0626","0.0676","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506211","34.902","0.009","9.072","0.002","33.401","0.009","90","","109.749","0.001","90","","9954","4","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","Compound 8","Tetracoordinate thiazetidine","","- C25 H15 F12 N O S -","- C25 H15 F12 N O S -","- C400 H240 F192 N16 O16 S16 -","16","2","","Kano, Naokazu; Daicho, Yuya; Kawashima, Takayuki","A potential intermediate for the aza-Corey-Chaykovsky reaction: synthesis, structure, and thermolysis of a pentacoordinate 1,2-thiazetidine 1-oxide.","Organic letters","2006","8","20","4625","4627","10.1021/ol0618499","","","0.7107","MoKα","","0.0748","0.049","","","0.1239","0.1469","","","","","","1.087","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506212","10.371","0.004","16.811","0.007","14.108","0.006","90","","90","","90","","2459.7","1.7","110","2","110","2","","","","","","","","6","P n a 21","P 2c -2n","33","compound 9","Pentacoordinate 1,2-thiazetidine","","- C25 H15 F12 N O2 S -","- C25 H15 F12 N O2 S -","- C100 H60 F48 N4 O8 S4 -","4","1","","Kano, Naokazu; Daicho, Yuya; Kawashima, Takayuki","A potential intermediate for the aza-Corey-Chaykovsky reaction: synthesis, structure, and thermolysis of a pentacoordinate 1,2-thiazetidine 1-oxide.","Organic letters","2006","8","20","4625","4627","10.1021/ol0618499","","","0.7107","MoKα","","0.0249","0.0243","","","0.0569","0.0572","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506213","17.5139","0.0009","5.3838","0.0004","23.798","0.002","90","","121.842","0.002","90","","1906.2","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 N O6 -","- C20 H27 N O6 -","- C80 H108 N4 O24 -","4","1","","Coquerel, Yoann; Bensa, David; Doutheau, Alain; Rodriguez, Jean","Synthetic studies on the MARDi cascade: stereoselective synthesis of heterocyclic seven-membered rings.","Organic letters","2006","8","21","4819","4822","10.1021/ol061874e","","","0.71073","MoKα","","0.1157","0.0831","","","0.1627","0.1775","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506214","12.417","0.001","5.357","0.0003","18.569","0.002","90","0.01","96.63","0.005","90","0.01","1226.91","0.18","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O6 -","- C11 H18 O6 -","- C44 H72 O24 -","4","1","","Coquerel, Yoann; Bensa, David; Doutheau, Alain; Rodriguez, Jean","Synthetic studies on the MARDi cascade: stereoselective synthesis of heterocyclic seven-membered rings.","Organic letters","2006","8","21","4819","4822","10.1021/ol061874e","","","0.71073","MoKα","","0.0881","0.0752","","","0.1874","0.197","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506215","23.094","0.005","21.226","0.004","27.759","0.006","90","","93.35","0.03","90","","13584","5","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C64 H58 N2 S4 -","- C68 H56 F6 N2 O4 S4 -","- C544 H448 F48 N16 O32 S32 -","8","2","","Kumar, Rajeev; Misra, Rajneesh; Chandrashekar, Tavarekere K.","Effect of meso aryl substituents on the synthesis of core-modified expanded porphyrins.","Organic letters","2006","8","21","4847","4850","10.1021/ol0619011","","","0.71073","MoKα","","0.1724","0.1109","","","0.2432","0.2721","","","","","","1.051","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506216","20.19","0.005","21.348","0.005","24.339","0.009","98.401","0.005","100.779","0.005","115.219","0.004","9017","5","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C117 H105 Fe6 O3 -","- C117 H105 Fe6 O3 -","- C468 H420 Fe24 O12 -","4","2","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","0.71073","MoKα","","0.0935","0.0653","","","0.1693","0.1838","","","","","","1.106","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506217","7.8618","0.0003","23.0451","0.0007","15.497","0.0005","90","","103.565","0.002","90","","2729.36","0.16","100","2","100","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C16 H13 Fe I -","- C16 H13 Fe I -","- C128 H104 Fe8 I8 -","8","2","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","1.54178","CuKα","","0.0379","0.0377","","","0.0962","0.0964","","","","","","1.065","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506218","12.6557","0.0006","7.8068","0.0004","12.6535","0.0006","90","","104.579","0.002","90","","1209.92","0.1","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C34 H26 Fe2 -","- C34 H26 Fe2 -","- C68 H52 Fe4 -","2","0.5","","Chebny, Vincent J.; Dhar, Dwairath; Lindeman, Sergey V.; Rathore, Rajendra","Simultaneous ejection of six electrons at a constant potential by hexakis(4-ferrocenylphenyl)benzene.","Organic letters","2006","8","22","5041","5044","10.1021/ol061904d","","","1.54178","CuKα","","0.0438","0.0345","","","0.0745","0.0779","","","","","","1.052","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506219","12.3611","0.0007","13.3819","0.0007","12.5042","0.0007","90","","108.934","0.001","90","","1956.47","0.19","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H19 Br2 N O -","- C22 H19 Br2 N O -","- C88 H76 Br8 N4 O4 -","4","1","","Lazareva, Anna; Daugulis, Olafs","Direct palladium-catalyzed ortho-arylation of benzylamines.","Organic letters","2006","8","23","5211","5213","10.1021/ol061919b","","","0.71073","MoKα","","0.0254","0.0207","","","0.0552","0.0572","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506220","7.3419","0.0007","24.75","0.002","7.8224","0.0007","90","","107","0.002","90","","1359.3","0.2","100","2","293","2","","","","","","","synthetic","3","P 1 21/a 1","-P 2yab","14","","pyran-2-one annulated tetrahelicene RI-2","","- C21 H12 O2 -","- C21 H12 O2 -","- C84 H48 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71073","MoKα","","0.0815","0.057","","","0.1235","0.1634","","","","","","1.151","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506221","12.559","0.005","5.626","0.005","19.945","0.005","90","","104.03","","90","","1367.2","1.4","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","2-pyranone-annulated tetrahelicenes RI-1","","- C21 H12 O2 -","- C21 H12 O2 -","- C84 H48 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71073","MoKα","","0.1751","0.1327","","","0.3673","0.3935","","","","","","1.127","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506222","11.202","0.005","7.167","0.005","18.199","0.005","90","0.005","94.155","0.005","90","0.005","1457.3","1.3","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","4-methyl-pyran-2-one fused tetrahelicenes RI-1","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71069","MoKα","","0.087","0.0632","","","0.1568","0.1964","","","","","","1.227","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506223","7.885","0.005","26.061","0.005","7.474","0.005","90","0.005","111.659","0.005","90","0.005","1427.4","1.3","293","2","293","2","","","","","","","synthetic","3","P 1 21/c 1","-P 2ybc","14","","4-methyl-pyran-2-one annulated tetrahelicenes RI-2","","- C22 H14 O2 -","- C22 H14 O2 -","- C88 H56 O8 -","4","1","","Moorthy, Jarugu Narasimha; Venkatakrishnan, Parthasarathy; Sengupta, Sanchita; Baidya, Mahiuddin","Facile synthesis, fluorescence, and photochromism of novel helical pyrones and chromenes.","Organic letters","2006","8","21","4891","4894","10.1021/ol0619260","","","0.71069","MoKα","","0.1068","0.0753","","","0.1771","0.2238","","","","","","1.229","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506224","17.351","0.004","23.605","0.005","14.941","0.003","90","","90","","90","","6119","2","293","2","293","2","","","","","","","","7","P n m a","-P 2ac 2n","62","","","","- C24.5 H25 Cl Cu F12 N8 P2 -","- C24.5 H25 Cl Cu F12 N8 P2 -","- C196 H200 Cl8 Cu8 F96 N64 P16 -","8","1","","Gong, Han-Yuan; Zheng, Qi-Yu; Zhang, Xiao-Hang; Wang, De-Xian; Wang, Mei-Xiang","Methylazacalix[4]pyridine: en route to Zn2±specific fluoresence sensors.","Organic letters","2006","8","21","4895","4898","10.1021/ol061928k","","","0.71073","MoKα","","0.0979","0.0439","","","0.0853","0.0912","","","","","","0.694","","","","has coordinates,has disorder","176435","2020-10-21","18:00:00",""
"1506225","8.4301","0.0007","25.655","0.002","10.6102","0.0009","90","","105.677","0.001","90","","2209.4","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","06196","","","- C21 H28 N4 O9 -","- C21 H28 N4 O9 -","- C84 H112 N16 O36 -","4","1","","Gerasyuto, Aleksey I.; Hsung, Richard P.","Stereodivergent total syntheses of precoccinelline, hippodamine, coccinelline, and convergine.","Organic letters","2006","8","21","4899","4902","10.1021/ol0619359","","","0.71073","MoKα","","0.0473","0.0391","","","0.0898","0.0937","","","","","","1.028","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506226","6.0231","0.0012","18.81","0.004","19.088","0.004","90","","91.44","0.03","90","","2161.9","0.8","100","2","100","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H32 O4 -","- C24 H32 O4 -","- C96 H128 O16 -","4","2","","Kwiatkowski, Piotr; Majer, Jakub; Chaładaj, Wojciech; Jurczak, Janusz","Highly diastereoselective Friedel-Crafts reaction of furans with 8-phenylmenthyl glyoxylate.","Organic letters","2006","8","22","5045","5048","10.1021/ol061943p","","","0.71073","MoKα","","0.0968","0.0811","","","0.2129","0.2279","","","","","","0.993","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506227","9.736","0.005","15.884","0.005","11.886","0.005","90","0.005","97.432","0.005","90","0.005","1822.7","1.3","291","2","291","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C20 N2 O2 S -","- C20 N2 O2 S -","- C80 N8 O8 S4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.186","0.0935","","","0.1672","0.2252","","","","","","0.989","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506228","9.634","0.005","9.858","0.005","11.925","0.005","97.676","0.005","97.61","0.005","116.21","0.005","983.4","0.8","291","2","291","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H24 N2 O2 S -","- C21 H24 N2 O2 S -","- C42 H48 N4 O4 S2 -","2","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1233","0.0785","","","0.205","0.2414","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506229","5.982","0.001","11.036","0.003","20.476","0.013","90","","90","","90","","1351.8","1","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C52 H60 Cl12 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.0922","0.0553","","","0.1408","0.17","","","","","","0.905","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506230","11.499","0.005","11.633","0.005","21.44","0.005","82.286","0.005","81.579","0.005","76.573","0.005","2744.5","1.8","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C104 H120 Cl24 O8 -","8","4","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.2011","0.0686","","","0.1636","0.2432","","","","","","0.896","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506231","6.951","0.003","7.903","0.004","14.659","0.004","90","","101.766","0.015","90","","788.4","0.6","291","2","291","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H20 O -","- C20 H20 O -","- C40 H40 O2 -","2","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1171","0.0839","","","0.2011","0.2493","","","","","","0.969","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506232","7.544","0.003","15.504","0.004","11.984","0.004","90","","105.776","0.011","90","","1348.9","0.8","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 Cl3 O -","- C13 H15 Cl3 O -","- C52 H60 Cl12 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.2052","0.0968","","","0.2596","0.2014","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506233","6.193","0.005","17.433","0.005","14.493","0.005","90","0.005","99.693","0.005","90","0.005","1542.4","1.4","291","2","291","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","","","","- C20 H20 O -","- C20 H20 O -","- C80 H80 O4 -","4","1","","Falck, J. R.; He, Anyu; Reddy, L. Manmohan; Kundu, Abhijit; Barma, Deb K.; Bandyopadhyay, A.; Kamila, Sukanta; Akella, Radha; Bejot, Romain; Mioskowski, Charles","Ring expansion/homologation‒aldehyde condensation cascade using tert-trihalomethylcarbinols.","Organic letters","2006","8","20","4645","4647","10.1021/ol061953q","","","0.71069","MoKα","","0.1797","0.0961","","","0.2076","0.1727","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506234","11.2356","0.0003","5.4389","0.0002","19.1892","0.0005","90","","90","","90","","1172.64","0.06","296","2","296","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Jervis, Peter J.; Kariuki, Benson M.; Cox, Liam R.","Stereoselective synthesis of 2,4,5-trisubstituted tetrahydropyrans using an intramolecular allylation strategy.","Organic letters","2006","8","20","4649","4652","10.1021/ol061957v","","","1.54178","CuKα","","0.0339","0.0312","","","0.0898","0.0927","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506235","10.1","0.0001","17.0482","0.0002","20.4921","0.0002","102.669","0.001","96.006","0.001","106.526","0.001","3247.31","0.07","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)(phenyl)methyl)valamide","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C150 H186 N6 O12 -","6","3","","Fleming, Fraser F.; Wei, Guoqing; Zhang, Zhiyu; Steward, Omar W.","Oxonitriles: a grignard addition-acylation route to enamides.","Organic letters","2006","8","21","4903","4906","10.1021/ol0619765","","","0.71073","MoKα","","0.0714","0.044","","","0.1277","0.1486","","","","","","0.912","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506236","12.7515","0.0003","15.6796","0.0003","19.48","0.0004","90","","104.275","0.001","90","","3774.54","0.14","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","N-((Z)-1-((2R,3S)-3-hydroxy-3-methyl-2- phenylcyclohexylidene)ethyl)pivalamide","","- C20 H29 N O2 -","- C20 H29 N O2 -","- C160 H232 N8 O16 -","8","2","","Fleming, Fraser F.; Wei, Guoqing; Zhang, Zhiyu; Steward, Omar W.","Oxonitriles: a grignard addition-acylation route to enamides.","Organic letters","2006","8","21","4903","4906","10.1021/ol0619765","","","0.71073","MoKα","","0.0832","0.0462","","","0.1136","0.132","","","","","","1.03","","","","has coordinates,has disorder","193981","2020-10-21","18:00:00",""
"1506237","17.935","0.004","6.408","0.001","12.934","0.003","90","","99.607","0.003","90","","1465.6","0.5","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","03097","","","- C12 H19 N O4 Si -","- C12 H19 N O4 Si -","- C48 H76 N4 O16 Si4 -","4","1","","Hoye, Thomas R.; Dvornikovs, Vadims; Sizova, Elena","Silylative Dieckmann-like cyclizations of ester-imides (and diesters).","Organic letters","2006","8","23","5191","5194","10.1021/ol061988q","","","0.71073","MoKα","","0.117","0.0937","","","0.2","0.2115","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506238","7.7751","0.0017","15.225","0.003","32.622","0.007","90","","90","","90","","3861.7","1.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","06036b","","","- C15 H27 N O6 Si -","- C15 H27 N O6 Si -","- C120 H216 N8 O48 Si8 -","8","2","","Hoye, Thomas R.; Dvornikovs, Vadims; Sizova, Elena","Silylative Dieckmann-like cyclizations of ester-imides (and diesters).","Organic letters","2006","8","23","5191","5194","10.1021/ol061988q","","","0.71073","MoKα","","0.0905","0.0532","","","0.1128","0.1308","","","","","","1.056","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506239","7.928","0.0013","7.9969","0.0013","12.261","0.002","83.526","0.003","78.836","0.003","62.414","0.003","675.69","0.19","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H13 Br O4 -","- C14 H13 Br O4 -","- C28 H26 Br2 O8 -","2","1","","Xu, Lubin; Huang, Xian; Zhong, Fangrui","Intermolecular tandem addition-cyclization of bromoallenes: a facile synthesis of methylenecyclopropyl carboxylates and polysubstituted furans.","Organic letters","2006","8","22","5061","5064","10.1021/ol061993u","","","0.71073","MoKα","","0.0707","0.0569","","","0.1335","0.1379","","","","","","0.951","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506240","36.957","0.003","9.8273","0.0009","16.7524","0.0017","90","","104.949","0.004","90","","5878.3","0.9","150","2","150","2","","","","","","","Synthesized by the authors. See text","3","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 N2 -","- C40 H32 N2 -","- C320 H256 N16 -","8","1","","Kim, Hyunwoo; Yen, Cindy; Preston, Philippa; Chin, Jik","Substrate-directed stereoselectivity in vicinal diamine-catalyzed synthesis of warfarin.","Organic letters","2006","8","23","5239","5242","10.1021/ol062000v","","","1.54178","CuKα","","0.1834","0.0836","","","0.1979","0.2497","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506241","12.29","0.03","9.62","0.02","12.49","0.03","90","","100.76","0.03","90","","1451","6","143","1","143","1","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C25 H28 Cl2 N2 O8 S -","- C25 H28 Cl2 N2 O8 S -","- C50 H56 Cl4 N4 O16 S2 -","2","1","","Li, Pixu; Forbeck, Erin M.; Evans, Cory D.; Joullié, Madeleine M","Trisubstituted aziridine ring-opening by phenol derivatives: stereo- and regioselective formation of chiral tertiary alkyl-aryl ethers.","Organic letters","2006","8","22","5105","5107","10.1021/ol062010w","","","0.71069","MoKα","","0.0921","0.0597","","","0.1435","0.2006","","","","","","0.967","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506242","27.991","0.007","27.991","0.007","20.057","0.007","90","","90","","120","","13609","7","293","2","293","2","","","","","","","","5","R 3 :H","R 3","146","","","","- C42 H56 Cl2 N4 O12 -","- C42 H56 Cl2 N4 O12 -","- C378 H504 Cl18 N36 O108 -","9","1","","Hong, Wen-Xu; Chen, Ling-Jun; Zhong, Chun-Long; Yao, Zhu-Jun","Bidirectional synthesis of the central amino acid of chloptosin.","Organic letters","2006","8","21","4919","4922","10.1021/ol0620139","","","0.71073","MoKα","","0.2038","0.0963","","","0.2328","0.2847","","","","","","0.859","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506243","20.5365","0.0005","5.2508","0.0001","26.4263","0.0006","90","","90","","90","","2849.63","0.11","200","","200","","","","","","","","local","4","P n a 21","P 2c -2n","33","","","","- C17 H19 N O2 -","- C17 H19 N O2 -","- C136 H152 N8 O16 -","8","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0508","0.0382","","0.0535","0.0468","0.0468","","","","","","1.1106","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506244","7.7435","0.0003","10.657","0.0003","18.3316","0.0004","95.443","0.0018","97.0565","0.0018","103.869","0.0014","1445.36","0.08","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C18 H23 N -","- C18 H23 N -","- C72 H92 N4 -","4","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0621","0.0439","","0.0627","0.0548","0.0548","","","","","","1.0935","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506245","7.9681","0.0002","10.7207","0.0003","18.021","0.0003","96.5216","0.0015","98.1632","0.0017","104.245","0.0013","1459.16","0.06","200","","200","","","","","","","","local","3","P -1","-P 1","2","","","","- C18 H23 N -","- C18 H23 N -","- C72 H92 N4 -","4","2","","Banwell, Martin G.; Ma, Xinghua; Taylor, Rebecca M.; Willis, Anthony C.","Concise assembly of the polycyclic frameworks associated with the hapalindole and fischerindole alkaloids.","Organic letters","2006","8","21","4959","4961","10.1021/ol062020x","","","0.71073","MoKα","","0.0702","0.0419","","0.0747","0.0537","0.0537","","","","","","1.0874","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506246","13.7213","0.0009","7.7011","0.0006","19.5546","0.0013","90","","110.252","0.004","90","","1938.6","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H15 N3 O5 -","- C22 H15 N3 O5 -","- C88 H60 N12 O20 -","4","1","","Pinto, Artur; Neuville, Luc; Retailleau, Pascal; Zhu, Jieping","Synthesis of 3-(diarylmethylenyl)oxindole by a palladium-catalyzed domino carbopalladation/C-H activation/C-C bond-forming process.","Organic letters","2006","8","21","4927","4930","10.1021/ol062022h","","","0.71073","MoKα","","0.0797","0.0511","","","0.13","0.1509","","","","","","1.026","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506247","9.712","0.005","27.09","0.005","7.598","0.005","90","","103.46","0.005","90","","1944.1","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H18 N2 O4 -","- C23 H18 N2 O4 -","- C92 H72 N8 O16 -","4","1","","Pinto, Artur; Neuville, Luc; Retailleau, Pascal; Zhu, Jieping","Synthesis of 3-(diarylmethylenyl)oxindole by a palladium-catalyzed domino carbopalladation/C-H activation/C-C bond-forming process.","Organic letters","2006","8","21","4927","4930","10.1021/ol062022h","","","0.71069","MoKα","","0.1316","0.119","","","0.3701","0.3792","","","","","","1.168","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506248","4.4469","0.0004","11.4613","0.001","26.073","0.002","90","","93.528","0.002","90","","1326.35","0.19","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.0861","0.053","","","0.1385","0.164","","","","","","1.011","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506249","13.961","0.002","4.8222","0.0007","17.468","0.003","90","","108.14","0.002","90","","1117.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H10 N2 O -","- C15 H10 N2 O -","- C60 H40 N8 O4 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.0983","0.0544","","","0.126","0.1522","","","","","","1.001","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506250","7.164","0.0009","20.24","0.003","9.0634","0.0013","90","","110.805","0.002","90","","1228.5","0.3","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 N2 O2 -","- C16 H12 N2 O2 -","- C64 H48 N8 O8 -","4","1","","Dai, Weixiang; Petersen, Jeffrey L.; Wang, Kung K.","Synthesis of the parent and substituted tetracyclic ABCD ring cores of camptothecins via 1-(3-aryl-2-propynyl)- 1,6-dihydro-6-oxo-2-pyridinecarbonitriles.","Organic letters","2006","8","20","4665","4667","10.1021/ol0620242","","","0.71073","MoKα","","0.1068","0.0496","","","0.1168","0.1397","","","","","","1.011","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506251","10.2921","0.0017","11.3599","0.0019","17.186","0.003","74.811","0.002","77.22","0.002","76.606","0.002","1858.6","0.5","193","2","193","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C39 H46 Cl4 N4 Pd -","- C39 H46 Cl4 N4 Pd -","- C78 H92 Cl8 N8 Pd2 -","2","1","","Xu, Linlin; Ferrence, Gregory M.; Lash, Timothy D.","[22]Porphyrin-(3.1.1.3), a new vinylogous expanded porphyrin system.","Organic letters","2006","8","22","5113","5116","10.1021/ol062043b","","x-ray","0.71073","MoKα","","0.0725","0.0573","","","0.1579","0.1708","","","","","","1.061","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506252","13.9922","0.0013","15.3095","0.0014","8.5436","0.0008","90","","98.035","0.002","90","","1812.2","0.3","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H17 N O4 S -","- C22 H17 N O4 S -","- C88 H68 N4 O16 S4 -","4","1","","Lauchli, Ryan; Shea, Kenneth J.","A synthesis of the welwistatin core.","Organic letters","2006","8","23","5287","5289","10.1021/ol0620747","","","0.71073","MoKα","","0.0463","0.0342","","","0.0854","0.0945","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506253","6.0057","0.0006","12.2328","0.0012","25.351","0.003","90","","90.591","0.005","90","","1862.4","0.3","190","2","190","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C25 H22 O2 -","- C25 H22 O2 -","- C100 H88 O8 -","4","1","","Wang, Yi; Burton, Donald J.","Site-specific preparation of 2-carboalkoxy-4-substituted naphthalenes and 9-alkylphenanthrenes and evidence for an allene intermediate in the novel base-catalyzed cyclization of 2-alkynylbiphenyls.","Organic letters","2006","8","23","5295","5298","10.1021/ol0620850","","","0.71069","MoKα","","0.0688","0.043","","","0.0936","0.1043","","","","","","1.013","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506254","9.4787","0.0001","9.6895","0.0001","27.4742","0.0003","90","","90","","90","","2523.34","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Parquette 1058","","","- C27 H22 Cl Cu N5 O4 -","- C27 H22 Cl Cu N5 O4 -","- C108 H88 Cl4 Cu4 N20 O16 -","4","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0288","0.0248","","0.062","","0.0607","","","1.046","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506255","10.0378","0.0001","17.8225","0.0001","19.2315","0.0002","90","","90","","90","","3440.49","0.05","200","2","200","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","Parquette 1057","","","- C28 H23 Cl4 N5 Ni O4 -","- C28 H23 Cl4 N5 Ni O4 -","- C112 H92 Cl16 N20 Ni4 O16 -","4","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0457","0.0391","","0.0993","","0.0961","","","1.042","","","","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506256","14.489","0.001","9.618","0.001","23.916","0.002","90","","91.48","0.004","90","","3331.7","0.5","200","2","200","2","","","","","","","","7","P 1 21 1","P 2yb","4","Parquette 1208","","","- C36 H29 D3 N6 O4 S Zn -","- C36 H29 D3 N6 O4 S Zn -","- C144 H116 D12 N24 O16 S4 Zn4 -","4","2","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0468","0.0376","","","0.0867","0.0901","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506257","9.3015","0.0001","15.645","0.0002","23.0613","0.0003","90","","95.222","0.004","90","","3342","0.07","150","2","150","2","","","","","","","","7","P 1 21 1","P 2yb","4","Parquette 1123","","","- C75 H58 D8 N10 O8 S2 Zn2 -","- C75 H58 D8 N10 O8 S2 Zn2 -","- C150 H116 D16 N20 O16 S4 Zn4 -","2","1","","Preston, Adam J.; Gallucci, Judith C.; Parquette, Jon R.","Structural impact of coordinating a helical 2,6-pyridyl diamide with divalent metals.","Organic letters","2006","8","23","5259","5262","10.1021/ol062086s","","","0.71073","MoKα","","0.0581","0.044","","0.1021","","0.0961","","","1.056","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506258","23.446","0.016","23.446","0.016","14.036","0.014","90","","90","","120","","6682","9","293","2","293","2","","","","","","","","3","P 65","P 65","170","xylogranatin A","","","- C38 H50 O14 -","- C38 H50 O14 -","- C228 H300 O84 -","6","1","","Yin, Sheng; Fan, Cheng-Qi; Wang, Xiao-Ning; Lin, Li-Ping; Ding, Jian; Yue, Jian-Min","Xylogranatins A-D: novel tetranortriterpenoids with an unusual 9,10-seco scaffold from marine mangrove Xylocarpus granatum.","Organic letters","2006","8","21","4935","4938","10.1021/ol062101t","","","0.71073","MoKα","","0.119","0.0806","","","0.2035","0.2233","","","","","","0.958","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506259","10.9275","0.0014","11.0354","0.0011","14.5086","0.0015","92.193","0.001","100.377","0.002","96.85","0.001","1705.5","0.3","203","2","203","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H41 N2 O11 -","- C34 H41 N2 O11 -","- C68 H82 N4 O22 -","2","1","","Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing","Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides.","Organic letters","2006","8","22","5117","5120","10.1021/ol062103d","","","0.71073","MoKα","","0.0631","0.0591","","","0.1498","0.1525","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506260","19.514","0.002","16.3891","0.0019","27.727","0.003","90","","101.243","0.002","90","","8697.4","1.6","203","2","203","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C88 H118 N4 O24 -","- C88 H118 N4 O24 -","- C352 H472 N16 O96 -","4","1","","Zhang, Aimin; Ferguson, Joseph S.; Yamato, Kazuhiro; Zheng, Chong; Gong, Bing","Improving foldamer synthesis through protecting group induced unfolding of aromatic oligoamides.","Organic letters","2006","8","22","5117","5120","10.1021/ol062103d","","","0.71073","MoKα","","0.0832","0.0761","","","0.2031","0.2085","","","","","","1.113","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506261","11.177","0.002","14.03","0.002","14.477","0.002","90","","90","","90","","2270.2","0.6","287","2","287","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C96 H152 N8 O16 -","8","1","","Gu, Peiming; Zhao, Yu-Ming; Tu, Yong Qiang; Ma, Yufei; Zhang, Fumin","Tandem semipinacol/Schmidt reaction leading to a versatile and efficient approach to azaquaternary alkaloid skeletons.","Organic letters","2006","8","23","5271","5273","10.1021/ol062116r","","","0.71073","MoKα","","0.0909","0.0426","","","0.0915","0.0988","","","","","","0.939","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506262","8.192","0.002","7.778","0.002","17.823","0.004","90","","99.82","0.02","90","","1119","0.5","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H19 N O2 -","- C12 H19 N O2 -","- C48 H76 N4 O8 -","4","1","","Gu, Peiming; Zhao, Yu-Ming; Tu, Yong Qiang; Ma, Yufei; Zhang, Fumin","Tandem semipinacol/Schmidt reaction leading to a versatile and efficient approach to azaquaternary alkaloid skeletons.","Organic letters","2006","8","23","5271","5273","10.1021/ol062116r","","","0.71073","MoKα","","0.0749","0.0466","","","0.1232","0.1318","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506263","27.369","0.002","6.226","0.0005","25.329","0.0018","90","","90.231","0.001","90","","4316","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C23 H32 N2 O5 -","- C23 H32 N2 O5 -","- C184 H256 N16 O40 -","8","1","","Arnott, Gareth; Clayden, Jonathan; Hamilton, Stuart D.","Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives.","Organic letters","2006","8","23","5325","5328","10.1021/ol062126s","","","0.71073","MoKα","","0.0465","0.0372","","","0.0958","0.0991","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506264","6.4308","0.0003","14.8616","0.0007","29.0316","0.0014","90","","90","","90","","2774.6","0.2","100","2","100","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C23 H26 Cl3 F3 N2 O6 S -","- C23 H26 Cl3 F3 N2 O6 S -","- C92 H104 Cl12 F12 N8 O24 S4 -","4","1","","Arnott, Gareth; Clayden, Jonathan; Hamilton, Stuart D.","Azabicyclic amino acids by stereoselective dearomatizing cyclization of the enolates of N-nicotinoyl glycine derivatives.","Organic letters","2006","8","23","5325","5328","10.1021/ol062126s","","","0.71073","MoKα","","0.0299","0.0284","","","0.0733","0.0744","","","","","","1.074","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506265","12.0169","0.0002","15.9703","0.0003","16.131","0.0003","63.823","0.001","70.256","0.001","78.903","0.001","2611.45","0.09","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C53 H69 Cl3 O12 -","- C53 H69 Cl3 O12 -","- C106 H138 Cl6 O24 -","2","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","0.71703","","","0.1476","0.0971","","","0.2065","0.2365","","","","","","1.083","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506266","14.0187","0.0004","14.4583","0.0004","16.5822","0.0005","65.075","0.002","75.326","0.002","77.921","0.002","2928.34","0.15","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C62 H85 N3 O14 -","- C62 H85 N3 O14 -","- C124 H170 N6 O28 -","2","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54184","CuKα","","0.0705","0.0587","","","0.1551","0.1659","","","","","","1.035","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506267","17.3738","0.0006","15.9352","0.0005","24.4132","0.0008","90","","91.8","0.002","90","","6755.6","0.4","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C60 H84 F12 K2 N2 O15 P2 -","- C60 H84 F12 K2 N2 O15 P2 -","- C240 H336 F48 K8 N8 O60 P8 -","4","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.0962","0.0764","","","0.2042","0.2226","","","","","","1.053","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506268","33.394","0.001","15.559","0.001","24.951","0.001","90","","101.11","0.01","90","","12721","1.1","173","2","173","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 F6 Na O16 P -","- C62 H88 F6 Na O16 P -","- C496 H704 F48 Na8 O128 P8 -","8","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.0969","0.0669","","","0.1592","0.1808","","","","","","1.057","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506269","33.607","0.001","15.5535","0.0005","24.7751","0.0008","90","","101.153","0.001","90","","12705.5","0.7","173","2","173","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C62 H88 Cl Na O20 -","- C62 H88 Cl Na O20 -","- C496 H704 Cl8 Na8 O160 -","8","1","","Salorinne, Kirsi; Nissinen, Maija","Novel tetramethoxy resorcinarene bis-crown ethers.","Organic letters","2006","8","24","5473","5476","10.1021/ol062138d","","","1.54178","CuKα","","0.1225","0.0828","","","0.2166","0.252","","","","","","1.025","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506270","14.792","0.003","10.495","0.002","16.383","0.003","90","","95.915","0.005","90","","2529.8","0.8","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C36 H26 -","- C36 H26 -","- C144 H104 -","4","1","","Lu, Jian-Mei; Shi, Min","Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with acetals: a facile synthetic protocol for the preparation of indene derivatives.","Organic letters","2006","8","23","5317","5320","10.1021/ol062189a","","","0.71073","MoKα","","0.2298","0.0715","","","0.1321","0.1827","","","","","","0.792","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506271","13.4196","0.0016","11.1258","0.0013","18.781","0.002","90","","93.243","0.002","90","","2799.6","0.6","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C38 H30 -","- C38 H30 -","- C152 H120 -","4","1","","Lu, Jian-Mei; Shi, Min","Lewis acid catalyzed reaction of arylvinylidenecyclopropanes with acetals: a facile synthetic protocol for the preparation of indene derivatives.","Organic letters","2006","8","23","5317","5320","10.1021/ol062189a","","","0.71073","MoKα","","0.1341","0.0541","","","0.1276","0.1499","","","","","","0.83","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506272","10.675","0.002","11.455","0.003","12.152","0.003","94.968","0.004","95.671","0.004","117.303","0.004","1299.3","0.5","153","2","153","2","","","","","","","","4","P -1","-P 1","2","","","","- C30 H37 O3 P -","- C30 H37 O3 P -","- C60 H74 O6 P2 -","2","1","","Zhang, Dong; Gao, Ruomei; Afzal, Shabana; Vargas, Mario; Sharma, Shantanu; McCurdy, Alison; Yousufuddin, Muhammed; Stewart, Timothy; Bau, Robert; Selke, Matthias","Intramolecular arene epoxidation by phosphadioxiranes.","Organic letters","2006","8","22","5125","5128","10.1021/ol0622007","","x-ray","0.71073","MoKα","","0.0937","0.0645","","","0.1579","0.1661","","","","","","1.052","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506273","10.999","0.006","11.201","0.006","21.538","0.012","90","","100.571","0.009","90","","2608","2","130","2","130","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C30 H24 N O2 P -","- C30 H24 N O2 P -","- C120 H96 N4 O8 P4 -","4","1","","Zhang, Dong; Gao, Ruomei; Afzal, Shabana; Vargas, Mario; Sharma, Shantanu; McCurdy, Alison; Yousufuddin, Muhammed; Stewart, Timothy; Bau, Robert; Selke, Matthias","Intramolecular arene epoxidation by phosphadioxiranes.","Organic letters","2006","8","22","5125","5128","10.1021/ol0622007","","","0.71073","MoKα","","0.0974","0.0777","","","0.2286","0.2424","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506274","7.2566","0.0002","8.17537","0.00018","16.3566","0.0007","92.313","0.001","100.627","0.001","103.381","0.001","924.32","0.05","110","2","110","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H18 N2 O -","- C24 H18 N2 O -","- C48 H36 N4 O2 -","2","1","","Paravidino, Monica; Bon, Robin S.; Scheffelaar, Rachel; Vugts, Danielle J.; Znabet, Anass; Schmitz, Rob F.; de Kanter, Frans J. J.; Lutz, Martin; Spek, Anthony L.; Groen, Marinus B.; Orru, Romano V. A.","Diastereoselective multicomponent synthesis of dihydropyridones with an isocyanide functionality.","Organic letters","2006","8","23","5369","5372","10.1021/ol062204b","","","0.71073","MoKα","","0.0579","0.0437","","","0.1015","0.11","","","","","","1.026","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506275","6.5663","0.0005","7.983","0.0006","20.8615","0.0017","90","","98.819","0.001","90","","1080.61","0.15","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 F N S -","- C11 H10 F2 N2 S -","- C44 H40 F8 N8 S4 -","4","1","","Xu, Wei; Abboud, Khalil A.; Ghiviriga, Ion; Dolbier, Jr, William R; Rapp, Magdalena; Wnuk, Stanislaw F.","An unexpected reaction of trimethylsilyl fluorosulfonyldifluoroacetate (TFDA) with imidazoles. Formation of N-difluoromethylthioureas.","Organic letters","2006","8","24","5549","5551","10.1021/ol062213k","","","0.71073","MoKα","","0.0412","0.0365","","","0.1055","0.1089","","","","","","1.073","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506276","12.3111","0.0002","10.7924","0.0002","14.003","0.0002","90","","114.56","0.0011","90","","1692.2","0.05","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl4 O -","- C16 H20 Cl4 O -","- C64 H80 Cl16 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0395","0.0249","","0.0354","0.03","0.03","","","","","","1.0835","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1506277","6.6694","0.0002","10.1604","0.0003","12.2442","0.0003","100.632","0.0019","94.9445","0.0017","94.3746","0.0018","808.83","0.04","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C16 H20 Cl4 O -","- C16 H20 Cl4 O -","- C32 H40 Cl8 O2 -","2","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.035","0.0272","","0.0383","0.0332","0.0332","","","","","","1.0552","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506278","6.6142","0.0001","12.218","0.0003","19.1863","0.0004","90","","92.6086","0.0015","90","","1548.88","0.06","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H19 Cl3 O -","- C16 H19 Cl3 O -","- C64 H76 Cl12 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0392","0.024","","0.0349","0.0282","0.0282","","","","","","1.1022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506279","15.7868","0.0003","6.466","0.0001","16.3562","0.0003","90","","99.0435","0.0011","90","","1648.84","0.05","200","","200","","","","","","","","local","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H21 Cl3 O -","- C17 H21 Cl3 O -","- C68 H84 Cl12 O4 -","4","1","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0394","0.027","","0.0382","0.0316","0.0316","","","","","","1.0654","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506280","6.6052","0.0002","16.5809","0.0005","19.2553","0.0006","111.316","0.0013","93.605","0.002","99.927","0.002","1916.96","0.1","200","","200","","","","","","","","local","4","P -1","-P 1","2","","","","- C18 H21 Cl5 O -","- C18 H21 Cl5 O -","- C72 H84 Cl20 O4 -","4","2","","Banwell, Martin G.; Phillis, Andrew T.; Willis, Anthony C.","Exploitation of cyclopropane ring-cleavage reactions for the rapid assembly of tetracyclic frameworks related to gibberellins.","Organic letters","2006","8","23","5341","5344","10.1021/ol062224d","","","0.71073","MoKα","","0.0878","0.0517","","0.0504","0.0452","0.0452","","","","","","1.0263","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506281","15.461","0.001","5.7223","0.0003","17.076","0.001","90","","96.684","0.002","90","","1500.49","0.15","193.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C15 H6 F6 S3 -","- C15.83 H6 F6 S2.69 -","- C63.32 H24 F24 S10.76 -","4","1","","Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio","Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.","Organic letters","2006","8","23","5381","5384","10.1021/ol062238j","","","0.7107","MoKα","","","0.047","","","","0.117","","","","","","1.031","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506282","34.977","0.002","5.7994","0.0003","15.474","0.001","90","","110.238","0.002","90","","2945.1","0.3","200.2","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C30 H10 F12 S6 -","- C31.22 H10 F12 S5.62 -","- C124.88 H40 F48 S22.48 -","4","0.5","","Ie, Yutaka; Umemoto, Yoshikazu; Kaneda, Takahiro; Aso, Yoshio","Electronegative oligothiophenes based on a hexafluorocyclopentene-annelated thiophene unit.","Organic letters","2006","8","23","5381","5384","10.1021/ol062238j","","","0.7107","MoKα","","","0.0832","","","","0.2449","","","","","","2.898","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506283","8.463","0.0017","9.365","0.0019","26.305","0.005","90","","90","","90","","2084.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H20 N3 O3 -","- C23 H22 N4 O5 -","- C92 H88 N16 O20 -","4","1","","Jiao, Rui H.; Xu, Shu; Liu, Jun Y.; Ge, Hui M.; Ding, Hui; Xu, Chen; Zhu, Hai L.; Tan, Ren X.","Chaetominine, a cytotoxic alkaloid produced by endophytic Chaetomium sp. IFB-E015.","Organic letters","2006","8","25","5709","5712","10.1021/ol062257t","","","0.71073","MoKα","","0.1707","0.1026","","","0.2805","0.3484","","","","","","1.154","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506284","12.087","0.003","7.895","0.002","19.07","0.005","90","","106.047","0.004","90","","1748.9","0.8","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H20 N2 O3 -","- C20 H20 N2 O3 -","- C80 H80 N8 O12 -","4","1","","Du, Yunfei; Liu, Renhe; Linn, Gregory; Zhao, Kang","Synthesis of N-substituted indole derivatives via PIFA-mediated intramolecular cyclization.","Organic letters","2006","8","26","5919","5922","10.1021/ol062288o","","","0.71073","MoKα","","0.0971","0.0467","","","0.1088","0.1329","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506285","7.942","0.005","10.334","0.006","19.787","0.012","90","","92.16","0.05","90","","1622.8","1.7","93.1","","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C37 H52 N2 O7 -","- C37 H52 N2 O7 -","- C74 H104 N4 O14 -","2","1","","Kushiro, Tetsuo; Hoshino, Masaki; Tsutsumi, Takehiko; Kawai, Ken-ichi; Shiro, Motoo; Shibuya, Masaaki; Ebizuka, Yutaka","Stereochemical course in water addition during LUP1-catalyzed triterpene cyclization.","Organic letters","2006","8","24","5589","5592","10.1021/ol062310d","","","0.71075","MoKα","","","0.053","","","","0.112","","","","","","0.986","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506286","9.397","0.0007","13.512","0.0005","13.991","0.001","90","","100.976","0.003","90","","1743.97","0.19","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C5.33 H6.22 N2.67 O0.89 S0.89 -","- C5.33333 H8 N2.66667 O0.888889 S0.888889 -","- C48 H72 N24 O8 S8 -","9","2.25","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.0661","0.0438","","","0.1215","0.1318","","","","","","0.959","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506287","6.4264","0.0008","9.4444","0.0011","13.293","0.0016","90","","96.777","0.002","90","","801.16","0.17","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C6 H9 N3 O S -","- C6 H9 N3 O S -","- C24 H36 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.039","0.0376","","","0.1007","0.1019","","","","","","1.069","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506288","9.2416","0.001","8.772","0.0009","15.567","0.0016","90","","90","","90","","1262","0.2","173","2","173","2","","","","","","","","6","P n a 21","P 2c -2n","33","","","","- C7 H10 Cl3 N3 O S -","- C7 H10 Cl3 N3 O S -","- C28 H40 Cl12 N12 O4 S4 -","4","1","","Basheer, Ahmad; Rappoport, Zvi","The first example of isomeric solid amide and its enol.","Organic letters","2006","8","26","5931","5934","10.1021/ol062322z","","","0.71073","MoKα","","0.0397","0.0389","","","0.0952","0.0958","","","","","","1.124","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506289","5.646","0.001","8.78","0.002","14.507","0.002","104.262","0.018","91.69","0.02","96.25","0.02","691.6","0.2","150","","150","","","","","","","","","3","P -1","-P 1","2","","8,8'-bis(9-benzyl-6-phenylpurine)","","- C36 H26 N8 -","- C36 H26 N8 -","- C36 H26 N8 -","1","0.5","","Cerna, Igor; Pohl, Radek; Klepetarová, Blanka; Hocek, Michal","Direct C-H arylation of purines: development of methodology and its use in regioselective synthesis of 2,6,8-trisubstituted purines.","Organic letters","2006","8","23","5389","5392","10.1021/ol062324j","","x-ray","1.54184","CuKα","","0.0435","0.0414","","0.0475","0.0469","0.0469","","","","","","1.1154","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506290","10.1257","0.0008","10.4037","0.0008","11.2572","0.0009","101.247","0.007","114.349","0.008","106.926","0.007","963.7","0.18","150","","150","","","","","","","","","3","P -1","-P 1","2","","9-Benzyl-6-phenyl-8-(4-methylphenyl)purine","","- C25 H20 N4 -","- C25 H20 N4 -","- C50 H40 N8 -","2","1","","Cerna, Igor; Pohl, Radek; Klepetarová, Blanka; Hocek, Michal","Direct C-H arylation of purines: development of methodology and its use in regioselective synthesis of 2,6,8-trisubstituted purines.","Organic letters","2006","8","23","5389","5392","10.1021/ol062324j","","","1.5418","CuKα","","0.0549","0.0492","","0.0591","0.0562","0.0562","","","","","","1.1423","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506291","13.641","0.003","16.424","0.003","12.005","0.002","90","","94.29","0.03","90","","2682.1","0.9","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C29 H30 N4 O5 S -","- C29 H30 N4 O5 S -","- C116 H120 N16 O20 S4 -","4","1","","Kaiser, Hanns Martin; Lo, Wei Fun; Riahi, Abdol Majid; Spannenberg, Anke; Beller, Matthias; Tse, Man Kin","New synthetic protocols for the preparation of unsymmetrical bisindoles","Organic letters","2006","8","25","5761","5764","10.1021/ol062338p","","","0.71073","MoKα","","0.0879","0.0424","","","0.0816","0.0901","","","","","","0.81","","","","has coordinates,has disorder","189517","2020-10-21","18:00:00",""
"1506292","9.6694","0.0001","13.3238","0.0002","13.8318","0.0002","90","","90","","90","","1781.99","0.04","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 F3 O6 -","- C17 H21 F3 O6 -","- C68 H84 F12 O24 -","4","1","","Sterk, Damjan; Stephan, Michel; Mohar, Barbara","Highly enantioselective transfer hydrogenation of fluoroalkyl ketones.","Organic letters","2006","8","26","5935","5938","10.1021/ol062358r","","","0.71073","MoKα","","0.0571","0.0443","","","0.103","0.1132","","","","","","1.048","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506293","6.6648","0.0001","8.1816","0.0002","18.7439","0.0004","90","","90","","90","","1022.08","0.04","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C9 H10 F3 N O -","- C9 H10 F3 N O -","- C36 H40 F12 N4 O4 -","4","1","","Sterk, Damjan; Stephan, Michel; Mohar, Barbara","Highly enantioselective transfer hydrogenation of fluoroalkyl ketones.","Organic letters","2006","8","26","5935","5938","10.1021/ol062358r","","","0.71073","MoKα","","0.0538","0.0416","","","0.1018","0.111","","","","","","1.067","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506294","16.871","0.005","22.046","0.006","22.462","0.006","90","","103.148","0.006","90","","8135","4","125","2","125","2","","","","","","","see text","4","P 1 21/c 1","-P 2ybc","14","Cyclo-octafurans","","","- C88 H16 F40 O8 -","- C88 H16 F40 O8 -","- C352 H64 F160 O32 -","4","1","","Reddy, J. Sreedhar; Mandal, Sukhendu; Anand, Venkataramanarao G.","Cyclic oligofurans: one-pot synthesis of 30pi and 40pi expanded porphyrinoids.","Organic letters","2006","8","24","5541","5543","10.1021/ol062359j","","","0.71073","MoKα","","0.1468","0.0995","","","0.1754","0.1934","","","","","","1.19","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506295","5.1126","0.0006","13.096","0.002","14.347","0.002","90","","90","","90","","960.6","0.2","296.2","","","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H9 N3 -","- C12 H9 N3 -","- C48 H36 N12 -","4","1","","Shibahara, Fumitoshi; Kitagawa, Asumi; Yamaguchi, Eiji; Murai, Toshiaki","Synthesis of 2-azaindolizines by using an iodine-mediated oxidative desulfurization promoted cyclization of N-2-pyridylmethyl thioamides and an investigation of their photophysical properties.","Organic letters","2006","8","24","5621","5624","10.1021/ol0623623","","","0.7107","MoKα","","","0.071","","","","0.1425","","","","","","1.081","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506296","8.049","0.004","10.286","0.006","12.388","0.007","90.925","0.007","101.862","0.007","98.595","0.007","991.3","0.9","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H16 N6 S -","- C24 H16 N6 S -","- C48 H32 N12 S2 -","2","1","","Shibahara, Fumitoshi; Kitagawa, Asumi; Yamaguchi, Eiji; Murai, Toshiaki","Synthesis of 2-azaindolizines by using an iodine-mediated oxidative desulfurization promoted cyclization of N-2-pyridylmethyl thioamides and an investigation of their photophysical properties.","Organic letters","2006","8","24","5621","5624","10.1021/ol0623623","","","0.7107","MoKα","","","0.0616","","","","0.1384","","","","","","1.353","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506297","9.642","0.0002","9.953","0.0002","16.2792","0.0003","97.093","0.001","92.531","0.001","97.689","0.001","1533.44","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H14 N2 O S -","- C17 H14 N2 O S -","- C68 H56 N8 O4 S4 -","4","2","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.1087","0.0499","","","0.1175","0.1496","","","","","","1.015","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506298","10.4679","0.0013","15.2299","0.0018","11.7243","0.0014","90","","101.491","0.009","90","","1831.7","0.4","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H16 N2 O S -","- C22 H16 N2 O S -","- C88 H64 N8 O4 S4 -","4","1","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.1827","0.0739","","","0.1326","0.1597","","","","","","1.176","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506299","16.059","0.002","13.4006","0.0018","7.6695","0.0011","90","","98.68","0.001","90","","1631.6","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C17 H13 Br N2 O S -","- C17 H13 Br N2 O S -","- C68 H52 Br4 N8 O4 S4 -","4","1","","Singh, C. B.; Murru, Siva; Kavala, Veerababurao; Patel, Bhisma K.","It is ""thiazolidene-2-imine"" and not imidazole-2-thione as the reaction product of 1-benzoyl-3-phenylthiourea with Br(2)/enolizable ketone.","Organic letters","2006","8","23","5397","5399","10.1021/ol062371b","","","0.71073","MoKα","","0.0844","0.0508","","","0.1215","0.1394","","","","","","1.031","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506300","10.9577","0.0018","9.0799","0.0015","11.3076","0.0019","90","","96.931","0.002","90","","1116.8","0.3","100","0.1","100","0.1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","frojm02","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Malona, John A.; Colbourne, Jessica M.; Frontier, Alison J.","A general method for the catalytic nazarov cyclization of heteroaromatic compounds.","Organic letters","2006","8","24","5661","5664","10.1021/ol062403v","","","0.71073","MoKα","","0.0392","0.0353","","","0.097","0.0999","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506301","11.0511","0.001","20.5371","0.0016","9.0441","0.0008","90","","96.047","0.004","90","","2041.2","0.3","294","2","294","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 O6 -","- C21 H24 O6 -","- C84 H96 O24 -","4","1","","Duan, Xin-Hua; Guo, Li-Na; Bi, Hai-Peng; Liu, Xue-Yuan; Liang, Yong-Min","Highly regioselective synthesis of 2,3-disubstituted indenes via a novel palladium-catalyzed cyclization reaction of propargylic carbonates with carbon nucleophiles.","Organic letters","2006","8","25","5777","5780","10.1021/ol062405f","","","0.71073","MoKα","","0.0977","0.0603","","","0.1856","0.2172","","","","","","1.183","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506302","8.193","0.0007","8.974","0.0009","18.504","0.0013","89.169","0.008","81.157","0.006","72.754","0.008","1283.2","0.2","122","2","122","2","","","","","","","","3","P -1","-P 1","2","2,4,5,7-tetramethoxynaphthaldehyde","2,4,5,7-tetramethoxynaphthaldehyde","","- C15 H16 O5 -","- C15 H16 O5 -","- C60 H64 O20 -","4","2","","Pittelkow, Michael; Boas, Ulrik; Christensen, Jørn B","Carbocations in action. Design, synthesis, and evaluation of a highly acid-sensitive naphthalene-based backbone amide linker for solid-phase synthesis.","Organic letters","2006","8","25","5817","5820","10.1021/ol062410j","","","0.71073","MoKα","","0.0487","0.0403","","","0.1183","0.1258","","","","","","1.049","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506303","7.764","0.002","21.989","0.006","8.721","0.002","90","","94.738","0.004","90","","1483.8","0.7","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C19 H16 O5 -","- C19 H16 O5 -","- C76 H64 O20 -","4","1","","Dahl, Bart J.; Branchaud, Bruce P.","180 degree unidirectional bond rotation in a biaryl lactone artificial molecular motor prototype.","Organic letters","2006","8","25","5841","5844","10.1021/ol062428u","","","0.71073","MoKα","","0.0575","0.0447","","","0.1039","0.1134","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506304","7.7003","0.0009","12.9161","0.0015","14.763","0.0017","87.536","0.002","84.658","0.002","74.544","0.002","1408.8","0.3","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C22 H18 F6 N4 O8 Pd2 S2 -","- C22 H18 F6 N4 O8 Pd2 S2 -","- C44 H36 F12 N8 O16 Pd4 S4 -","2","1","","Zhao, Baowei; Lu, Xiyan","Cationic palladium(II)-catalyzed addition of arylboronic acids to nitriles. One-step synthesis of benzofurans from phenoxyacetonitriles.","Organic letters","2006","8","26","5987","5990","10.1021/ol062438v","","","0.71073","MoKα","","0.0716","0.0526","","","0.118","0.1255","","","","","","0.91","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506305","16.654","0.003","17.694","0.004","17.91","0.004","77.62","0.03","64.1","0.03","89.91","0.03","4612","2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C46.38 H37 Cl2.76 N10 O2 -","- C46.378 H37 Cl2.756 N10 O2 -","- C185.512 H148 Cl11.024 N40 O8 -","4","2","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.208","0.1485","","","0.4639","0.483","","","","","","1.153","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506306","13.477","0.003","15.305","0.003","16.878","0.003","76.66","0.03","89.07","0.03","88.22","0.03","3385.6","1.2","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C33.5 H27.5 Cl2 N10.5 O2.5 -","- C33.5 H27.5 Cl2 N10.5 O2.5 -","- C134 H110 Cl8 N42 O10 -","4","2","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.1802","0.1191","","","0.3283","0.3646","","","","","","1.091","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506307","13.007","0.003","14.042","0.003","16.794","0.003","90","","90","","90","","3067.3","1.1","293","2","293","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C32 H24 Cl2 N10 -","- C32 H24 Cl2 N10 -","- C128 H96 Cl8 N40 -","4","1","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.054","0.0353","","","0.0648","0.0675","","","","","","1.075","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506308","26.598","0.005","9.4281","0.0019","20.033","0.004","90","","110.21","0.03","90","","4714.4","1.8","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C51 H50 Cl2 N12 O4 -","- C51 H49 Cl2 N12 O4 -","- C204 H196 Cl8 N48 O16 -","4","0.5","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.0791","0.0588","","","0.1551","0.1714","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506309","16.54","0.003","8.832","0.0018","30.088","0.006","90","","104.33","0.03","90","","4258.5","1.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C46 H36 Cl2 N10 O -","- C46 H36 Cl2 N10 O -","- C184 H144 Cl8 N40 O4 -","4","1","","Wang, Qi-Qiang; Wang, De-Xian; Ma, Hong-Wei; Wang, Mei-Xiang","Synthesis of tetraazacalix[2]arene[2]triazines: tuning the cavity by the substituents on the bridging nitrogen atoms.","Organic letters","2006","8","26","5967","5970","10.1021/ol062441e","","","0.71073","MoKα","","0.1254","0.0634","","","0.1791","0.1959","","","","","","0.97","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506310","11.1854","0.0015","34.814","0.005","7.0886","0.001","90","","106.175","0.002","90","","2651.1","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C30 H36 N2 O3 -","- C30 H36 N2 O3 -","- C120 H144 N8 O12 -","4","1","","Hopkins, Chad D.; Malinakova, Helena C.","Allylpalladium umpolung in the three-component coupling synthesis of homoallylic amines.","Organic letters","2006","8","26","5971","5974","10.1021/ol0624528","","","0.71073","MoKα","","0.091","0.0692","","","0.1483","0.1589","","","","","","1.089","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506311","24.468","0.002","24.214","0.003","19.3043","0.0019","90","","102.267","0.007","90","","11176","2","173.1","","","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C105.5 H143 N8 O8.5 -","- C105.5 H124 N8 O8.5 -","- C422 H496 N32 O34 -","4","0.5","","Ishibashi, Koichi; Tsue, Hirohito; Tokita, Satoshi; Matsui, Kazuhiro; Takahashi, Hiroki; Tamura, Rui","Regioselectively N-methylated azacalix[8]arene octamethyl ether prepared by catalytic aryl amination reaction using a temporal N-silylation protocol.","Organic letters","2006","8","26","5991","5994","10.1021/ol062459p","","","0.71075","MoKα","","","0.1226","","","","0.3856","","","","","","1.136","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506312","5.762","0.003","9.213","0.004","38.396","0.018","90","","90","","90","","2038.3","1.7","130","2","130","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C26 H26 N2 -","- C26 H26 N2 -","- C104 H104 N8 -","4","1","","Williams, Amie L.; Srinivasan, Jayasree M.; Johnston, Jeffrey N.","Synthesis of an advanced intermediate en route to the mitomycin natural products.","Organic letters","2006","8","26","6047","6049","10.1021/ol0624676","","","0.71073","MoKα","","0.094","0.0638","","","0.1416","0.1577","","","","","","1.046","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506313","8.6454","0.0012","10.7876","0.0017","13.704","0.002","90","","90","","90","","1278.1","0.3","153","2","153","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","(3S,5R,6S)-2,6,7-Trimethyl-5-phenyl-1,4-dioxa-7-azaspiro[2.5]octan-8-one","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C56 H68 N4 O12 -","4","1","","Pansare, Sunil V.; Adsool, Vikrant A.","Enantioselective synthesis of functionalized medium-sized oxacycles.","Organic letters","2006","8","25","5897","5899","10.1021/ol062484v","","","0.7107","MoKα","","0.0496","0.0446","","","0.1072","0.1103","","","","","","1.072","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506314","29.6799","0.0003","6.1328","","16.0196","0.0003","90","","96.368","0.002","90","","2897.91","0.06","296.1","","","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C30 H34 Cl N3 O6 -","- C30 H34 Cl N3 O6 -","- C120 H136 Cl4 N12 O24 -","4","1","","Mizoguchi, Jun-ichi; Kawanami, Yuko; Wada, Takehiko; Kodama, Kazuya; Anzai, Kinsei; Yanagi, Toshiharu; Inoue, Yoshihisa","Enantiodifferentiating photocyclodimerization of 2-anthracenecarboxylic acid using a chiral N-(2-hydroxymethyl-4- pyrrolidinyl)benzamide template.","Organic letters","2006","8","26","6051","6054","10.1021/ol062501g","","","0.71069","MoKα","","","0.0559","","","","0.1129","","","","","","0.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1506315","8.7336","0.0017","7.8955","0.0016","14.484","0.003","90","","95.04","0.03","90","","994.9","0.4","293","2","293","2","","","101","","","","Synthetic","5","P 1 c 1","P -2yc","7","Hydrazine Derivative","(E)-N-phthalyl-2-(3-chlorophenyl)-2-phenylcyclobutylidene hydrazine","","- C24 H17 Cl N2 O2 -","- C24 H17 Cl N2 O2 -","- C48 H34 Cl2 N4 O4 -","2","1","","Liang, Yong; Jiao, Lei; Wang, Yuanyuan; Chen, Yuanyuan; Ma, Linge; Xu, Jiaxi; Zhang, Shiwei; Yu, Zhi-Xiang","Nitrene equivalent mediated metal-free ring expansions of alkylidenecyclopropanes and an alkylidenecyclobutane.","Organic letters","2006","8","25","5877","5879","10.1021/ol062504t","","x-ray","0.71073","MoKα","","0.05","0.0393","","","0.0914","0.0947","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506316","9.544","0.002","11.546","0.003","10.453","0.003","90","0.0008","107.808","0.0009","90","0.0008","1096.7","0.5","123","2","123","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C32 H26 -","- C32 H26 -","- C64 H52 -","2","0.5","","Ohkubo, Kei; Iwata, Ryosuke; Miyazaki, Soushi; Kojima, Takahiko; Fukuzumi, Shunichi","Photocatalytic formation of dimethyllepidopterene from 9,10-dimethylanthracene via electron-transfer oxidation.","Organic letters","2006","8","26","6079","6082","10.1021/ol062554y","","","0.7107","MoKα","","0.0498","0.0396","","","0.0988","0.1054","","","","","","1.121","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506317","16.235","0.003","18.066","0.003","18.447","0.003","104.899","0.003","114.991","0.003","93.152","0.003","4655.7","1.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C104 H39 Cl9 N2 O16 -","- C104 H39 Cl9 N2 O16 -","- C208 H78 Cl18 N4 O32 -","2","1","","Chuang, Shih-Ching; Khan, Saeed I.; Rubin, Yves","Switch of electronic reactivity in fullerene C60: activation of three trans-4 positions via temporary saturation of the cis-1 positions.","Organic letters","2006","8","26","6075","6078","10.1021/ol0625637","","","0.71073","MoKα","","0.155","0.0657","","","0.1514","0.1758","","","","","","0.812","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506318","6.4138","0.0005","10.5196","0.0009","17.152","0.0014","90","","99.808","0.001","90","","1140.34","0.16","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C9 H10 F2 N2 O4 S -","- C9 H9.5 F2.2 N2 O4 S -","- C36 H38 F8.8 N8 O16 S4 -","4","2","","Zheng, Feng; Zhang, Xiao-Hua; Qiu, Xiao-Long; Zhang, Xingang; Qing, Feng-Ling","Synthesis of L-beta-3'-deoxy-3',3'-difluoro-4'-thionucleosides.","Organic letters","2006","8","26","6083","6086","10.1021/ol062576k","","","0.71073","MoKα","","0.0618","0.0583","","","0.1624","0.1704","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506319","24.442","0.007","13.34","0.003","13.024","0.003","90","","95.52","0.02","90","","4226.9","1.8","223","2","223","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","2","1-Methyl-1-phenyl-dithieno[3,2-b:2',3'-d]phospholium triflate","","- C14 H18.38 F2.63 O2.63 P0.88 S3 -","- C16 H12 F3 O3 P S3 -","- C128 H96 F24 O24 P8 S24 -","8","1","","Durben, Stefan; Dienes, Yvonne; Baumgartner, Thomas","Cationic dithieno[3,2-b:2',3'-d]phospholes: a new building block for luminescent, conjugated polyelectrolytes.","Organic letters","2006","8","25","5893","5896","10.1021/ol062580w","","","0.71073","MoKα","","0.1222","0.0773","","","0.1888","0.204","","","","","","1.14","","","","has coordinates","209529","2020-10-21","18:00:00",""
"1506320","23.721","0.003","23.721","0.003","12.93","0.003","90","","90","","120","","6300.8","1.8","293","2","293","2","","","","","","","","4","P 65","P 65","170","","Boc-(S,S)-c3diPhe-(R,R)-c3diPhe-NHiPr","","- C40 H43 N3 O4 -","- C40 H43 N3 O4 -","- C240 H258 N18 O24 -","6","1","","Crisma, Marco; Toniolo, Claudio; Royo, Soledad; Jiménez, Ana I; Cativiela, Carlos","A helical, aromatic, peptide nanotube.","Organic letters","2006","8","26","6091","6094","10.1021/ol062600u","","","1.54178","CuKα","","0.0744","0.0605","","","0.1594","0.1708","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506321","5.9829","0.0011","7.272","0.0014","41.691","0.008","90","","90","","90","","1813.9","0.6","294","2","294","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H16 Br F3 O4 -","- C18 H16 Br F3 O4 -","- C72 H64 Br4 F12 O16 -","4","1","","Zhao, Jun-Ling; Liu, Li; Sui, Yong; Liu, Yu-Liang; Wang, Dong; Chen, Yong-Jun","Catalytic and highly enantioselective Friedel-Crafts alkylation of aromatic ethers with trifluoropyruvate under solvent-free conditions.","Organic letters","2006","8","26","6127","6130","10.1021/ol0626037","","","0.71073","MoKα","","0.0578","0.051","","","0.1723","0.1776","","","","","","1.026","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506322","9.8623","0.0007","10.1661","0.0008","24.4608","0.0017","90","","90","","90","","2452.5","0.3","173","","173","1","","","","","","","see text","6","P 21 21 21","P 2ac 2ab","19","","","","- C22 H30 Cl2 Cu N6 O2 -","- C22 H30 Cl2 Cu N6 O2 -","- C88 H120 Cl8 Cu4 N24 O8 -","4","1","","Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver","Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.","Organic letters","2006","8","26","6099","6102","10.1021/ol062697k","","","0.71073","MoKα","","0.039","0.0344","","","0.0806","0.0817","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506323","12.0986","0.0018","12.7138","0.0018","13.3209","0.0017","77.309","0.016","81.44","0.016","74.732","0.017","1919.4","0.5","123","","123","1","","","","","","","see text","6","P 1","P 1","1","","","","- C56 H78 Cl4 Cu2 N18 O21 -","- C56 H78 Cl4 Cu2 N18 O21 -","- C56 H78 Cl4 Cu2 N18 O21 -","1","1","","Rasappan, Ramesh; Hager, Markus; Gissibl, Anja; Reiser, Oliver","Highly enantioselective michael additions of indole to benzylidene malonate using simple bis(oxazoline) ligands: importance of metal/ligand ratio.","Organic letters","2006","8","26","6099","6102","10.1021/ol062697k","","","0.71073","MoKα","","0.0919","0.0748","","","0.2015","0.2104","","","","","","1.01","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506324","11.1077","0.0006","11.1077","0.0006","24.942","0.003","90","","90","","120","","2665.1","0.4","150","","150","","","","","","","","","6","P 32","P 32","145","[Rh(dtbpb)(nbd)]PF6","[Bis(di-tert-butylphosphino-κ2,P,P)benzene](norbornadiene)rhodium(I) PF6","","- C33 H56 F6 O P3 Rh -","- C33 H56 F6 O P3 Rh -","- C99 H168 F18 O3 P9 Rh3 -","3","1","","Yamamoto, Yoshikazu; Koizumi, Toru; Katagiri, Kosuke; Furuya, Yui; Danjo, Hiroshi; Imamoto, Tsuneo; Yamaguchi, Kentaro","Facile synthesis of highly congested 1,2-diphosphinobenzenes from bis(phosphine)boronium salts.","Organic letters","2006","8","26","6103","6106","10.1021/ol062717i","","x-ray","0.71073","MoKα","","0.0588","0.0495","","","0.1129","0.12","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516742","38.884","0.007","8.6698","0.0017","7.8123","0.0014","90","","92.945","0.015","90","","2630.2","0.8","173","2","173","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C27 H33 F O8 -","- C27 H33 F O8 -","- C108 H132 F4 O32 -","4","1","","Morton, Gillian E.; Barrett, Anthony G. M.","Iterative benzyne-furan cycloaddition reactions: studies toward the total synthesis of ent-Sch 47554 and ent-Sch 47555.","Organic letters","2006","8","13","2859","2861","10.1021/ol061007+","","","1.54248","CuKα","","0.086","0.0521","","","0.1231","0.1451","","","","","","0.932","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516743","10.6365","0.0012","16.1655","0.0019","18.138","0.002","90","","90","","90","","3118.7","0.6","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C39 H36 N3 O P -","- C39 H36 N3 O P -","- C156 H144 N12 O4 P4 -","4","1","","Fekner, Tomasz; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis and application of quinazoline-oxazoline-containing (quinazox) ligands.","Organic letters","2006","8","22","5109","5112","10.1021/ol062023+","","","0.71073","MoKα","","0.0403","0.0378","","","0.0908","0.0924","","","","","","1.07","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516744","10.9951","0.0015","16.296","0.002","18.095","0.003","90","","90","","90","","3242.2","0.8","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H38 N3 O P -","- C40 H38 N3 O P -","- C160 H152 N12 O4 P4 -","4","1","","Fekner, Tomasz; Müller-Bunz, Helge; Guiry, Patrick J.","Synthesis and application of quinazoline-oxazoline-containing (quinazox) ligands.","Organic letters","2006","8","22","5109","5112","10.1021/ol062023+","","","0.71073","MoKα","","0.0331","0.031","","","0.0752","0.0767","","","","","","1.02","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516745","19.596","0.002","7.5959","0.0009","12.4831","0.0014","90","","107.84","0.002","90","","1768.8","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C38 H42 O2 Si2 -","- C38 H42 O2 Si2 -","- C76 H84 O4 Si4 -","2","0.5","","Liu, Yuanhong; Gao, Hongjun","New zirconium-mediated approach toward regio- and stereocontrolled synthesis of trans-enediynes.","Organic letters","2006","8","2","309","311","10.1021/ol052706+","","","0.71073","MoKα","","0.0748","0.047","","","0.104","0.112","","","","","","0.888","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516746","14.8638","0.0006","15.4624","0.0006","16.3768","0.0006","90","","90","","90","","3763.9","0.3","277.2","","","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C24 H18 B N O3 -","- C24 H18 B N O3 -","- C192 H144 B8 N8 O24 -","8","1","","Yasuda, Makoto; Yoshioka, Sachiko; Yamasaki, Satoshi; Somyo, Toshio; Chiba, Kouji; Baba, Akio","Cage-shaped borate esters with enhanced Lewis acidity and catalytic activity.","Organic letters","2006","8","4","761","764","10.1021/ol053026+","","","0.7107","MoKα","","","0.0677","","","","0.1602","","","","","","0.98","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516747","13.574","0.004","4.9473","0.0013","36.772","0.01","90","","96.297","0.003","90","","2454.5","1.2","100","2","100","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C3 H8 N6 -","- C3 H8 N6 -","- C48 H128 N96 -","16","2","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0681","0.054","","","0.1287","0.1333","","","","","","1.007","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516748","7.2044","0.001","8.5549","0.0014","15.472","0.003","90","","99.564","0.007","90","","940.3","0.3","100","2","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H10 N6 -","- C8 H10 N6 -","- C32 H40 N24 -","4","1","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0428","0.0354","","","0.1007","0.1051","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516749","6.4456","0.0009","6.4456","0.0009","12.53","0.003","90","","90","","90","","520.57","0.16","100","2","100","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C3 H8 N2 O2 -","- C3 H8 N2 O2 -","- C12 H32 N8 O8 -","4","0.5","","Tominey, Alan F.; Docherty, Paul H.; Rosair, Georgina M.; Quenardelle, Romain; Kraft, Arno","Unusually weak binding interactions in tetrazole-amidine complexes.","Organic letters","2006","8","7","1279","1282","10.1021/ol053072+","","","0.71073","MoKα","","0.0435","0.0335","","","0.0784","0.0796","","","","","","1.158","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516751","15.037","0.009","18.91","0.01","19.84","0.01","81.38","0.06","87.14","0.06","66.8","0.05","5126","5","123.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C107 H47 Cl4 F40 N9 O -","- C107 H47 Cl4 F40 N9 O -","- C214 H94 Cl8 F80 N18 O2 -","2","1","","Hata, Hiroshi; Kamimura, Yiho; Shinokubo, Hiroshi; Osuka, Atsuhiro","Synthesis of pyrrolidine-fused [34]- and [36]octaphyrins via 1,3-dipolar cycloaddition.","Organic letters","2006","8","6","1169","1172","10.1021/ol060067c","","","0.7107","MoKα","","","0.098","","","","0.139","","","","","","1.272","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516752","7.773","0.002","6.401","0.002","8.075","0.003","90","","103.792","0.005","90","","390.2","0.2","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C8 H12 O2 -","- C8 H12 O2 -","- C16 H24 O4 -","2","1","","Hong, Bor-Cherng; Wu, Ming-Fun; Tseng, Hsing-Chang; Liao, Ju-Hsiou","Enantioselective organocatalytic formal [3 + 3]-cycloaddition of alpha,beta-unsaturated aldehydes and application to the asymmetric synthesis of (-)-isopulegol hydrate and (-)-cubebaol.","Organic letters","2006","8","11","2217","2220","10.1021/ol060486+","","","0.71073","MoKα","","0.0561","0.0518","","","0.1301","0.1334","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516753","7.6565","0.0005","16.5845","0.0011","27.3457","0.0018","90","","90","","90","","3472.3","0.4","143","1","143","1","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C35 H59 N O2 Si2 -","- C35 H59 N O2 Si2 -","- C140 H236 N4 O8 Si8 -","4","1","","Smith, 3rd, Amos B; Davulcu, Akin H.; Kürti, Laszló","Indole diterpenoid synthetic studies. The total synthesis of (+)-nodulisporic acid F.","Organic letters","2006","8","8","1665","1668","10.1021/ol060290+","","","0.71069","MoKα","","0.0553","0.0498","","","0.1074","0.111","","","","","","1.12","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516755","15.255","0.003","10.757","0.003","9.418","0.002","90","","101.43","0.02","90","","1514.8","0.6","298","","","","","","","","","","Local laboratory","5","P 1 21 1","P 2yb","4","","","","- C29 H45 N O4 Si -","- C29 H45 N O4 Si -","- C58 H90 N2 O8 Si2 -","2","1","","Kobayashi, Toyoharu; Hasegawa, Futoshi; Tanaka, Katsunori; Katsumura, Shigeo","Synthesis of 2,4,6-trisubstituted chiral piperidines and (-)-dendroprimine by one-pot asymmetric azaelectrocyclization protocol.","Organic letters","2006","8","17","3813","3816","10.1021/ol0614065","","","1.54178","CuKα","","0.147","0.143","","0.273","0.273","0.273","","","27.826","10.58","10.58","10.58","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1516757","6.4053","0.0016","15.414","0.004","14.888","0.004","90","","101.497","0.005","90","","1440.4","0.6","193","2","193","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H20 O2 S -","- C15 H20 O2 S -","- C60 H80 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0508","0.0459","","","0.1262","0.1301","","","","","","1.046","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516758","10.4287","0.0019","9.2211","0.0017","15.589","0.003","90","","95.126","0.004","90","","1493.1","0.5","193","2","193","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C35 H34 O3 S -","- C35 H34 O3 S -","- C70 H68 O6 S2 -","2","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0499","0.0446","","","0.109","0.1117","","","","","","0.992","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516759","6.248","0.002","16.63","0.005","13.443","0.004","90","","103.304","0.006","90","","1359.3","0.7","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C14 H18 O2 S -","- C14 H18 O2 S -","- C56 H72 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0609","0.0452","","","0.1146","0.1218","","","","","","0.957","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516760","7.4039","0.0018","12.927","0.003","24.736","0.006","90","","90","","90","","2367.5","1","193","2","193","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C11 H11 Br O2 S -","- C11 H11 Br O2 S -","- C88 H88 Br8 O16 S8 -","8","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0969","0.0733","","","0.2317","0.2426","","","","","","1.094","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516761","10.1655","0.0018","11.398","0.002","15.36","0.003","90","","102.624","0.003","90","","1736.7","0.6","193","2","193","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O4 S2 -","- C18 H18 O4 S2 -","- C72 H72 O16 S8 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.1202","0.0979","","","0.2205","0.2343","","","","","","1.151","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516762","4.9466","0.0007","9.9378","0.0015","12.6847","0.0019","105.346","0.003","96.246","0.003","102.488","0.003","577.9","0.15","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C11 H11 Br O2 S -","- C11 H11 Br O2 S -","- C22 H22 Br2 O4 S2 -","2","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.0562","0.0478","","","0.1169","0.1203","","","","","","0.882","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516763","11.05","0.004","6.388","0.002","16.42","0.006","90","","93.997","0.008","90","","1156.2","0.7","193","2","193","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C12 H11 N O2 S -","- C12 H11 N O2 S -","- C48 H44 N4 O8 S4 -","4","1","","Weatherhead-Kloster, Robin A; Corey, E. J.","Theory-guided discovery of unique chemical transformations of cyclopropenes.","Organic letters","2006","8","1","171","174","10.1021/ol052752+","","","0.71073","MoKα","","0.1017","0.0478","","","0.0858","0.0976","","","","","","0.835","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1556115","7.9578","0.0003","20.7251","0.0009","11.7791","0.0005","90","","110.834","0.003","90","","1815.66","0.13","223","2","223","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H19 N O2 S -","- C22 H19 N O2 S -","- C88 H76 N4 O8 S4 -","4","2","","Tanaka, Ken; Wada, Azusa; Noguchi, Keiichi","Rhodium-catalyzed [2+2+2] cycloaddition of 1,6-diynes with isothiocyanates and carbon disulfide.","Organic letters","2006","8","5","907","909","10.1021/ol053044r","","","1.54187","CuKα","","0.0332","0.028","","","0.0664","0.0711","","","","","","1.125","","","","has coordinates","244972","2020-10-21","18:00:00",""