# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T23:36:07+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Organic & biomolecular chemistry') AND volume = 2 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
"7150313","10.455","0.003","10.733","0.003","12.049","0.004","81.24","0.02","83.93","0.02","73.22","0.02","1276.7","0.7","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H15 Br4 Cl3 N2 -","- C24 H15 Br4 Cl3 N2 -","- C48 H30 Br8 Cl6 N4 -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.051","","","","0.084","","","","","","1.73","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150314","13.179","0.005","13.971","0.007","20.762","0.009","78.6","0.03","79.29","0.03","80.08","0.03","3645","3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C78 H46 Br12 Cl2 N6 -","- C78 H46 Br12 Cl2 N6 -","- C156 H92 Br24 Cl4 N12 -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.047","","","","0.054","","","","","","1.58","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150315","13.144","0.007","13.939","0.006","20.671","0.009","79.67","0.03","81.27","0.02","80.1","0.02","3642","3","294","","","","","","","","","","","5","P -1","-P 1","2","","","","- C81 H52 Br12 N6 O0.5 -","- C81 H51 Br12 N6 O0.5 -","- C162 H102 Br24 N12 O -","2","1","","Rahman, A Noman M M; Bishop, Roger; Craig, Donald C.; Scudder, Marcia L.","Pi-halogen dimer interactions and the inclusion chemistry of a new tetrahalo aryl host.","Organic & biomolecular chemistry","2004","2","2","175","182","10.1039/b310638a","","","0.71073","MoKα","","","0.049","","","","0.053","","","","","","1.51","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150316","7.792","0.001","10.213","0.002","11.809","0.003","105.66","0.02","94.91","0.03","102.04","0.02","874.9","0.3","296","2","296","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C7 H7 Cl N4 O -","- C7 H7 Cl N4 O -","- C28 H28 Cl4 N16 O4 -","4","2","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.1401","0.0438","","","0.0944","0.1235","","","","","","0.979","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150317","11.185","0.002","8.1266","0.0004","12.711","0.003","90","","107.343","0.009","90","","1102.9","0.3","296","2","296","2","","","","","","","synthesis as described","4","P 1 21/a 1","-P 2yab","14","","","","- C10 H17 N3 O -","- C10 H17 N3 O -","- C40 H68 N12 O4 -","4","1","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.0581","0.0414","","","0.1066","0.1191","","","","","","1.065","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150318","10.9884","0.0009","11.953","0.001","12.2879","0.0008","65.573","0.006","79.7","0.006","63.521","0.006","1315.3","0.2","296","2","296","2","","","","","","","synthesis as described","3","P -1","-P 1","2","","","","- C25 H38 N6 -","- C25 H38 N6 -","- C50 H76 N12 -","2","1","","Reisinger, Ales; Bernhardt, Paul V.; Wentrup, Curt","Synthesis of 1,3-diazepines and ring contraction to cyanopyrroles.","Organic & biomolecular chemistry","2004","2","2","246","256","10.1039/b311247k","","x-ray","0.71073","MoKα","","0.0987","0.0577","","","0.1555","0.1826","","","","","","1.024","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7150319","5.8851","0.0013","10.029","0.002","12.416","0.003","112.711","0.004","91.376","0.004","97.897","0.004","667.2","0.3","173","2","173","2","","","","","","","","4","P 1","P 1","1","","","","- C29 H35 N O6 -","- C29 H35 N O6 -","- C29 H35 N O6 -","1","1","","Adams, Luke A.; Charmant, Jonathan P. H.; Cox, Russell J.; Walter, Magnus; Whittingham, William G.","Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.","Organic & biomolecular chemistry","2004","2","4","542","553","10.1039/b311322a","","","0.71073","MoKα","","0.1821","0.0891","","","0.1994","0.2349","","","","","","0.879","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150320","12.425","0.003","18.223","0.005","11.601","0.002","90","","103.042","0.017","90","","2559","1","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H26 Cl3 N O4 -","- C24 H26 Cl3 N O4 -","- C96 H104 Cl12 N4 O16 -","4","1","","Adams, Luke A.; Charmant, Jonathan P. H.; Cox, Russell J.; Walter, Magnus; Whittingham, William G.","Efficient synthesis of protected cyclopropyl beta-aspartylphosphates.","Organic & biomolecular chemistry","2004","2","4","542","553","10.1039/b311322a","","","0.71073","MoKα","","0.0975","0.0726","","","0.1946","0.2173","","","","","","1.046","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150321","9.947","0.001","11.658","0.002","12.796","0.001","67.062","0.009","82.79","0.01","70.76","0.01","1306.7","1.1","296","2","296","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","4,4'-methylenebis(N-salicylidene-2,6-diimethylaniline)","","- C31 H30 N2 O2 -","- C31 H30 N2 O2 -","- C62 H60 N4 O4 -","2","1","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71069","MoKα","","0.1687","0.0647","","","0.191","0.2723","","","","","","1.013","","","","has coordinates,has disorder","213973","2020-10-21","18:00:00",""
"7150322","36.7","0.004","8.747","0.004","10.687","0.004","90","","92.62","0.02","90","","3427","2","296","2","296","2","","","","","","","synthesis as described","4","C 1 2/c 1","-C 2yc","15","","4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline)","","- C39 H46 N2 O2 -","- C39 H46 N2 O2 -","- C156 H184 N8 O8 -","4","0.5","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71073","MoKα","","","0.054","","","","0.065","","","","","","1.002","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150323","18.991","0.004","6.01","0.004","31.619","0.004","90","","103.22","0.01","90","","3513","2","296","2","296","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline)","","- C39 H46 N2 O2 -","- C39 H46 N2 O2 -","- C156 H184 N8 O8 -","4","1","","Taneda, Masatsugu; Amimoto, Kiichi; Koyama, Hiroyuki; Kawato, Toshio","Photochromism of polymorphic 4,4'-methylenebis(N-salicylidene-2,6-diisopropylaniline) crystals.","Organic & biomolecular chemistry","2004","2","4","499","504","10.1039/b311669g","","x-ray","0.71073","MoKα","","","0.077","","","","0.105","","","","","","1.189","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7150324","17.709","0.003","7.553","0.002","19.656","0.002","90","","100.926","0.008","90","","2581.5","0.9","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H26 N4 O5 -","- C29 H26 N4 O5 -","- C116 H104 N16 O20 -","4","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kuwata, Noriko; Kunitomo, Jun-Ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka","Syntheses of 3-acetoacetylaminobenzo[b]furan derivatives having cysteinyl leukotriene 2 receptor antagonistic activity.","Organic & biomolecular chemistry","2004","2","4","625","635","10.1039/b312682j","","","1.5418","CuKα","","","0.0585","","","","0.1703","","","","","","1.491","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150325","7.357","0.002","9.914","0.002","40.665","0.001","90","","94.22","0.01","90","","2958","1","296.2","","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H11 Br N2 O4 -","- C15 H11 Br N2 O4 -","- C120 H88 Br8 N16 O32 -","8","2","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kuwata, Noriko; Kunitomo, Jun-Ichi; Yamashita, Masayuki; Ohta, Shunsaku; Kohno, Shigekatsu; Ohishi, Yoshitaka","Syntheses of 3-acetoacetylaminobenzo[b]furan derivatives having cysteinyl leukotriene 2 receptor antagonistic activity.","Organic & biomolecular chemistry","2004","2","4","625","635","10.1039/b312682j","","","1.5418","CuKα","","","0.0513","","","","0.146","","","","","","1.776","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150326","7.2055","0.0006","7.8564","0.0007","9.9993","0.0008","101.554","0.006","92.508","0.006","103.229","0.003","537.48","0.08","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C11 H11 N3 O2 -","- C11 H11 N3 O2 -","- C22 H22 N6 O4 -","2","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1164","0.0787","","","0.2195","0.2499","","","","","","1.066","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150327","7.3056","0.0004","13.9174","0.0009","12.4289","0.0008","90","","106.53","0.003","90","","1211.48","0.13","180","2","180","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1502","0.0874","","","0.2058","0.2397","","","","","","1.073","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150328","11.8517","0.0004","7.48","0.0002","15.7266","0.0006","90","","96.839","0.001","90","","1384.25","0.08","180","2","180","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H18 N4 O2 -","- C13 H18 N4 O2 -","- C52 H72 N16 O8 -","4","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.0765","0.0606","","","0.1483","0.1589","","","","","","1.064","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150329","10.7972","0.0007","11.4319","0.0008","11.7065","0.0008","105.934","0.002","112.814","0.003","101.936","0.003","1198.09","0.15","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H13 N3 O2 -","- C13 H13 N3 O2 -","- C52 H52 N12 O8 -","4","2","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1476","0.1003","","","0.2571","0.2837","","","","","","1.153","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150330","8.9586","0.0005","16.1012","0.0009","18.1413","0.001","90","","97.258","0.002","90","","2595.8","0.3","180","2","180","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C13 H14 N4 O2 -","- C13 H14 N4 O2 -","- C104 H112 N32 O16 -","8","1","","Siu, Jason; Baxendale, Ian R.; Ley, Steven V.","Microwave assisted Leimgruber-Batcho reaction for the preparation of indoles, azaindoles and pyrroylquinolines.","Organic & biomolecular chemistry","2004","2","2","160","167","10.1039/b313012f","","","0.71073","MoKα","","0.1272","0.1086","","","0.3476","0.3693","","","","","","1.575","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150331","6.9777","0.0008","8.3569","0.001","9.3808","0.0011","82.847","0.002","71.23","0.002","77.901","0.002","505.45","0.1","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C8 H14 F2 O5 -","- C8 H14 F2 O5 -","- C16 H28 F4 O10 -","2","1","","Audouard, Christophe; Fawcett, John; Griffiths, Gerry A.; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.","Synthesis of 4,4-difluoroglycosides using ring-closing metathesis.","Organic & biomolecular chemistry","2004","2","4","528","541","10.1039/b313731g","","","0.71073","MoKα","","0.0359","0.0334","","","0.0892","0.0907","","","","","","1.111","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150332","30.941","0.01","23.839","0.007","10.252","0.004","90","","90","","90","","7562","4","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","complex of (R)(+)2,2'-Dihydroxy-1,1'-binaphthyl with (R)(+)N- (3-Chloro-2-hydroxypropyl)-N,N,N-trimethylammonium Chloride","","","- C78 H87 Cl6 N3 O9 -","- C78 H87 Cl6 N3 O9 -","- C312 H348 Cl24 N12 O36 -","4","1","","Toda, Fumio; Yoshizawa, Kazuhiro; Hyoda, Shunji; Toyota, Shinji; Chatziefthimiou, Spyros; Mavridis, Irene M.","Efficient resolution of 2,2'-dihydroxy-1,1'-binaphthyl by inclusion complexation with chiral N-(3-chloro-2-hydroxypropyl)-N,N,N-trimethylammonium chloride.","Organic & biomolecular chemistry","2004","2","4","449","451","10.1039/b314040g","","","1.5418","CuKα","","0.0702","0.0446","","","0.1043","0.1202","","","","","","1.059","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150333","7.578","0.0003","9.7836","0.0004","12.0885","0.0005","90","","92.028","0.002","90","","895.68","0.06","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H14 O2 S -","- C9 H14 O2 S -","- C36 H56 O8 S4 -","4","1","","Grainger, Richard S.; Tisselli, Patrizia; Steed, Jonathan W.","Diastereotopic group selective intramolecular cycloadditions of sulfenic acids to 1,4-dienes.","Organic & biomolecular chemistry","2004","2","2","151","153","10.1039/b314176d","","","0.71073","MoKα","","0.056","0.0361","","","0.0779","0.0839","","","","","","1.069","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150334","7.1304","0.0003","10.9979","0.0004","13.4699","0.0006","109.079","0.002","92.054","0.001","100.681","0.002","975.68","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","pt062a","","","- C9 H15 O2.5 S -","- C9 H15 O2.5 S -","- C36 H60 O10 S4 -","4","2","","Grainger, Richard S.; Tisselli, Patrizia; Steed, Jonathan W.","Diastereotopic group selective intramolecular cycloadditions of sulfenic acids to 1,4-dienes.","Organic & biomolecular chemistry","2004","2","2","151","153","10.1039/b314176d","","","0.71073","MoKα","","0.0475","0.0347","","","0.0832","0.0892","","","","","","1.047","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150335","16.3285","0.0016","11.9385","0.0011","17.5557","0.0013","90","","116.7","0.04","90","","3057.4","1.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H19 F2 N O5 -","- C14 H19 F2 N O5 -","- C112 H152 F16 N8 O40 -","8","2","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.1446","0.0595","","","0.125","0.1588","","","","","","0.939","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150336","6.951","0.004","8.869","0.005","13.399","0.007","98.346","0.01","96.497","0.009","91.913","0.01","811","0.8","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H21 F2 N O5 -","- C15 H21 F2 N O5 -","- C30 H42 F4 N2 O10 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.178","0.0718","","","0.1506","0.1912","","","","","","0.887","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150337","7.8012","0.0005","8.9989","0.0005","14.119","0.0009","96.881","0.003","102.152","0.003","108.9","0.003","897.6","0.1","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H23 F2 N O5 -","- C16 H23 F2 N O5 -","- C32 H46 F4 N2 O10 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","1.54178","CuKα","","0.0638","0.0563","","","0.1632","0.1693","","","","","","1.08","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150338","7.3657","0.0007","7.5078","0.0007","10.1384","0.0009","77.063","0.002","78.383","0.002","89.452","0.002","534.86","0.09","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C10 H10 F2 O6 -","- C10 H10 F2 O6 -","- C20 H20 F4 O12 -","2","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71073","MoKα","","0.0354","0.0316","","","0.0851","0.0871","","","","","","1.046","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150339","9.7681","0.0013","11.809","0.0015","10.5162","0.0015","90","","114.677","0.009","90","","1102.3","0.3","200","2","200","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C11 H14 F2 O3 -","- C11 H14 F2 O3 -","- C44 H56 F8 O12 -","4","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71069","MoKα","","0.0604","0.0563","","","0.1948","0.2013","","","","","","1.083","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150340","9.8294","0.0012","8.3435","0.0013","13.9113","0.0016","90","","98.998","0.01","90","","1126.8","0.3","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H16 F2 O3 -","- C11 H16 F2 O3 -","- C44 H64 F8 O12 -","4","1","","Arany, Andrea; Crowley, Patrick J.; Fawcett, John; Hursthouse, Michael B.; Kariuki, Benson M.; Light, Mark E.; Moralee, Andrew C.; Percy, Jonathan M.; Salafia, Vittoria","Highly-functionalised difluorinated (hydroxymethyl)conduritol analogues via the Diels-Alder reactions of a difluorinated dienophile.","Organic & biomolecular chemistry","2004","2","4","455","465","10.1039/b314314g","","","0.71069","MoKα","","0.086","0.0646","","","0.1743","0.2216","","","","","","1.011","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150341","7.6474","0.0007","21.062","0.005","3.6345","0.0002","90","","90","","90","","585.41","0.15","120","2","120","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","5-pyrimidylboronic acid hemihydrate","","- C4 H6 B N2 O2.5 -","- C4 H6 B N2 O2.5 -","- C16 H24 B4 N8 O10 -","4","1","","Saygili, Nezire; Batsanov, Andrei S.; Bryce, Martin R.","5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.","Organic & biomolecular chemistry","2004","2","6","852","857","10.1039/b314624n","","","0.71073","MoKα","","0.038","0.0318","","","0.0797","0.0835","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150342","9.1245","0.0011","3.7622","0.0007","20.595","0.006","90","","95.806","0.004","90","","703.4","0.3","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","4,6-bis(2-methoxy-3-pyridyl)pyrimidine","","- C16 H14 N4 O2 -","- C16 H14 N4 O2 -","- C32 H28 N8 O4 -","2","1","","Saygili, Nezire; Batsanov, Andrei S.; Bryce, Martin R.","5-Pyrimidylboronic acid and 2-methoxy-5-pyrimidylboronic acid: new heteroarylpyrimidine derivatives via Suzuki cross-coupling reactions.","Organic & biomolecular chemistry","2004","2","6","852","857","10.1039/b314624n","","","0.71073","MoKα","","0.0547","0.0403","","","0.0965","0.104","","","","","","1.001","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150343","9.6878","0.0016","5.3021","0.0006","15.229","0.003","90","","107.292","0.005","90","","746.9","0.2","173","2","173","2","","","","","","","synthesis as described","5","C 1 2 1","C 2y","5","","","","- C6 H12 F N O2 -","- C6 H11 F N O2 -","- C24 H44 F4 N4 O8 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","x-ray","0.71073","MoKα","","0.0804","0.0669","","","0.1735","0.1826","","","","","","1.102","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150344","9.005","0.002","16.541","0.005","16.841","0.004","90","","90","","90","","2508.5","1.1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C92 H144 N8 O20 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","","0.71073","MoKα","","0.1789","0.0672","","","0.1267","0.1668","","","","","","0.982","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150345","9.637","0.004","5.314","0.003","14.574","0.007","90","","93.1","0.03","90","","745.3","0.6","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C6 H12 F N O2 -","- C6 H8.76 F N O2 -","- C24 H35.04 F4 N4 O8 -","4","2","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,4S)- and (2S,4R)-5-fluoroleucine and (2S,4S)-[5,5-2H2]-5-fluoroleucine.","Organic & biomolecular chemistry","2004","2","4","474","482","10.1039/b314933a","","x-ray","0.71073","MoKα","","0.2149","0.1075","","","0.2256","0.2851","","","","","","1.035","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150346","7.356","0.002","19.87","0.005","15.136","0.004","90","","91.37","0.01","90","","2211.7","1","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-Butylphenyl)-5-[4-(3,3-diethoxy-propyn-1-yl)- phenyl]-1,3,4-oxadiazole","","- C25 H28 N2 O3 -","- C25 H28 N2 O3 -","- C100 H112 N8 O12 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0677","0.043","","","0.0958","0.1052","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150347","14.835","0.005","6.161","0.001","25.549","0.003","90","","91.14","0.01","90","","2334.7","0.9","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-Butylphenyl)-5-[4-(5,5-diethoxy-1,3-pentadiyn-1-yl)- phenyl]-1,3,4-oxadiazole","","- C27 H28 N2 O3 -","- C27 H28 N2 O3 -","- C108 H112 N8 O12 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0838","0.0561","","","0.1371","0.152","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150348","11.945","0.002","6.183","0.001","23.46","0.005","90","","97.94","0.01","90","","1716","0.5","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","{3-[5-(4-tert-Butylphenyl)-1,3,4-oxadiazol-2-yl]-phenyl}- propynal","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C84 H72 N8 O8 -","4","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0737","0.0525","","","0.1459","0.1606","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150349","10.878","0.001","11","0.001","12.705","0.001","114.866","0.01","105.881","0.01","97.048","0.01","1276.5","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(3-{4-[5-(4-tert-Butylphenyl)-1,3,4-oxadiazol-2-yl]-phenyl}- prop-2-ynylidene)-1,3-dithiole-4,5-dicarboxylic acid dimethyl ester","","- C28 H24 N2 O5 S2 -","- C28 H24 N2 O5 S2 -","- C56 H48 N4 O10 S4 -","2","1","","Kreher, David; Batsanov, Andrei S.; Wang, Changsheng; Bryce, Martin R.","Functionalisation reactions of 2,5-diphenyl-1,3,4-oxadiazoles bearing a terminal ethynyl or butadiynyl substituent: X-ray crystal structures of the products.","Organic & biomolecular chemistry","2004","2","6","858","862","10.1039/b315694j","","","0.71073","MoKα","","0.0406","0.0351","","","0.0904","0.0952","","","","","","1.044","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150350","13.365","0.004","11.036","0.004","19.88","0.003","90","","94.05","0.02","90","","2924.9","1.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","","- C59 H71 N5 O6 Si3 -","- C59 H66 N5 O6 Si3 -","- C118 H132 N10 O12 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","0.7093","","","0.0995","0.0525","","","0.1492","0.1792","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150351","20.698","0.002","28.908","0.003","11.465","0.0018","90","","90","","90","","6859.9","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","2',3',5'-O-tris(tert-buthyldiphenylsilyl)-guanosine","","- C66 H83 N5 O9 Si3 -","- C66 H67 N5 O9 Si3 -","- C264 H268 N20 O36 Si12 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54178","CuKα","","0.0891","0.0807","","","0.1978","0.2047","","","","","","1.157","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150352","9.808","0.0005","10.901","0.0004","21.496","0.0008","90","","95.211","0.002","90","","2288.79","0.17","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(triisopropylsilyl)-guanosine","2',3',5'-O-tris(triisopropylsilyl)-guanosine","","- C37 H73 N5 O5 Si3 -","- C37 H73 N5 O5 Si3 -","- C74 H146 N10 O10 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.1122","0.1089","","","0.372","0.3936","","","","","","1.981","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150353","31.591","0.0006","10.875","0.0002","17.005","0.0002","90","","101.092","0.001","90","","5732.97","0.17","200","2","200","2","","","","","","","","5","C 1 2 1","C 2y","5","2'-deoxy-3',5'-O-bis(tert-butyldimethylsilyl)-guanosine","2'-deoxy-3',5'-O-bis(tert-butyldimethylsilyl)-guanosine","","- C22 H41 N5 O4 Si2 -","- C22 H41 N5 O4 Si2 -","- C176 H328 N40 O32 Si16 -","8","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0776","0.0768","","","0.2123","0.2138","","","","","","1.034","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150354","17.326","0.0004","11.369","0.0003","17.395","0.0004","90","","116.838","0.002","90","","3057.38","0.14","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","2',3'-O-bis(tert-butyldimethylsilyl)-guanosine","2',3'-O-bis(tert-butyldimethylsilyl)-guanosine","","- C24 H45 N5 O7 Si2 -","- C24 H45 N5 O7 Si2 -","- C96 H180 N20 O28 Si8 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0534","0.0533","","","0.1414","0.1415","","","","","","1.085","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150355","10.168","0.0008","8.024","0.0006","22.947","0.0019","90","","90","0.004","90","","1872.2","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3',5'-O-tris(tert-butyldimethylsilyl)-adenosine","2',3',5'-O-tris(tert-butyldimethylsilyl)-adenosine","","- C28 H55 N5 O4 Si3 -","- C28 H55 N5 O4 Si3 -","- C56 H110 N10 O8 Si6 -","2","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0858","0.0809","","","0.1898","0.1964","","","","","","1.086","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150356","16.428","0.004","7.794","0.006","23.465","0.005","90","","104.988","0.016","90","","2902","2","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","2',3'-O-bis(tert-butyldimethylsilyl)-adenosine","2',3'-O-bis(tert-butyldimethylsilyl)-adenosine","","- C22 H41 N5 O4 Si2 -","- C22 H41 N5 O4 Si2 -","- C88 H164 N20 O16 Si8 -","4","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","0.7107","MoKα","","0.1288","0.0454","","","0.1035","0.1288","","","","","","0.988","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150357","7.5","0.0001","8.329","0.0001","43.319","0.0004","90","","90","","90","","2706.03","0.05","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine","3',5'-O-bis(tert-butyldimethylsiyl)-2'-deoxy-adenosine","","- C22 H41 N5 O3 Si2 -","- C22 H41 N5 O3 Si2 -","- C88 H164 N20 O12 Si8 -","4","1","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.5418","CuKα","","0.0422","0.0416","","","0.1226","0.1256","","","","","","1.108","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150358","7.955","0.0002","12.398","0.0004","18.035","0.0004","98.98","0.002","99.526","0.002","101.012","0.002","1689.22","0.08","100","2","100","2","","","","","","","","5","P 1","P 1","1","2',3'-O-bis(triisopropylsilyl)-guanosine","2',3'-O-bis(triisopropylsilyl)-guanosine","","- C28 H53 N5 O5 Si2 -","- C28 H53 N5 O5 Si2 -","- C56 H106 N10 O10 Si4 -","2","2","","Takasawa, Ryoichi; Yoshikawa, Isao; Araki, Koji","Use of an adjustable soft segment as an effective molecular design for crystal engineering of hydrogen-bonded tape motifs.","Organic & biomolecular chemistry","2004","2","8","1125","1132","10.1039/b315769e","","","1.54184","CuKα","","0.0883","0.0857","","","0.2408","0.2496","","","","","","1.056","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150359","8.124","0.004","16.606","0.01","7.179","0.003","90","","113.24","0.02","90","","889.9","0.8","150","2","123","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","3,5-diazido-4-methyl(1,5-b)tetrazolopridazine","3,5-diazido-4-methyl[1,5-b]tetrazolopridazine","","- C5 H3 N11 -","- C5 H3 N11 -","- C20 H12 N44 -","4","1","","Allan, Robin D.; Greenwood, Jeremy R.; Hambley, Trevor W.; Hanrahan, Jane R.; Hibbs, David E.; Itani, Samia; Tran, Hue W.; Turner, Peter","Studies on pyridazine azide cyclisation reactions.","Organic & biomolecular chemistry","2004","2","12","1782","1788","10.1039/b316190k","","","0.56356","synchrotron","","0.2443","0.2088","","","0.5283","0.5585","","","","","","2.339","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150360","5.7327","0.0008","7.6069","0.0006","10.45","0.002","96.967","0.013","104.847","0.014","109.68","0.008","403.83","0.11","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C5 H5 N9 -","- C5 H5 N9 -","- C10 H10 N18 -","2","1","","Allan, Robin D.; Greenwood, Jeremy R.; Hambley, Trevor W.; Hanrahan, Jane R.; Hibbs, David E.; Itani, Samia; Tran, Hue W.; Turner, Peter","Studies on pyridazine azide cyclisation reactions.","Organic & biomolecular chemistry","2004","2","12","1782","1788","10.1039/b316190k","","","1.54178","CuKα","","0.0773","0.0536","","","0.1246","0.1315","","","","","","1.284","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150361","19.275","0.004","8.415","0.003","23.953","0.005","90","","111.9","0.01","90","","3604.8","1.7","193","2","193","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","C36 H34 B2 F8 N6 O1 Pt1","","","- C36 H34 B2 F8 N6 O Pt -","- C36 H34 B2 F8 N6 O Pt -","- C144 H136 B8 F32 N24 O4 Pt4 -","4","1","","Sielemann, Dirk; Winter, Andreas; Flörke, Ulrich; Risch, Nikolaus","Selective synthesis of U-shaped terpyridines. Versatile ligands for the preparation of platinum complexes.","Organic & biomolecular chemistry","2004","2","6","863","868","10.1039/b316633c","","","0.71073","MoKα","","0.0902","0.0537","","","0.1207","0.1367","","","","","","1.025","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7150362","6.8956","0.0002","8.0263","0.0002","25.0635","0.0007","90","","90","","90","","1387.17","0.07","250","2","250","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F O3 -","- C15 H17 F O3 -","- C60 H68 F4 O12 -","4","1","","Buffet, Marianne F.; Dixon, Darren J.; Ley, Steven V.; Reynolds, Dominic J.; Storer, R. Ian","Anomeric oxygen to carbon rearrangements of alkynyl tributylstannane derivatives of furanyl (gamma)- and pyranyl (delta)-lactols.","Organic & biomolecular chemistry","2004","2","8","1145","1154","10.1039/b316858a","","","0.71073","MoKα","","0.0892","0.0625","","","0.1631","0.1868","","","","","","1.022","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150363","9.642","0.007","10.277","0.007","10.081","0.007","90","","91.89","0.03","90","","998.4","1.2","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","5,6-Bis(trifluoromethyl)-2-methoxy-1H-1,3-diazepine","5,6-Bis(trifluoromethyl)-2-methoxy-1H-1,3-diazepine","","- C8 H6 F6 N2 O -","- C8 H6 F6 N2 O -","- C32 H24 F24 N8 O4 -","4","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0653","0.0494","","","0.149","0.1637","","","","","","1.1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150364","13.243","0.003","5.6585","0.0005","13.304","0.003","90","","116.61","0.01","90","","891.3","0.3","293","2","293","2","","","","","","","synthesis as described","5","P 1 21/c 1","-P 2ybc","14","6,7-Bis(trifluoromethyl)-2,4-diazabicyclo(3.2.0)heptan-3-one","6,7-Bis(trifluoromethyl)-2,4-diazabicyclo[3.2.0]heptan-3-one","","- C7 H6 F6 N2 O -","- C7 H6 F6 N2 O -","- C28 H24 F24 N8 O4 -","4","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0909","0.0423","","","0.101","0.1223","","","","","","1.013","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150365","7.607","0.002","8.04","0.002","8.369","0.001","96.79","0.02","98.36","0.03","104.7","0.02","483.4","0.2","293","2","293","2","","","","","","","synthesis as described","4","P -1","-P 1","2","4-Diethylamino-1,5-dihydro-(1,3)diazepin-2-one","4-Diethylamino-1,5-dihydro-[1,3]diazepin-2-one","","- C9 H15 N3 O -","- C9 H15 N3 O -","- C18 H30 N6 O2 -","2","1","","Reisinger, Ales; Koch, Rainer; Bernhardt, Paul V.; Wentrup, Curt","1H-1,3-diazepines, 5H-1,3-diazepines, 1,3-diazepinones, and 2,4-diazabicyclo[3.2.0]heptenes.","Organic & biomolecular chemistry","2004","2","8","1227","1238","10.1039/b317099c","","x-ray","0.71073","MoKα","","0.0727","0.0434","","","0.1088","0.1244","","","","","","1.047","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150366","5.8002","0.0001","14.4736","0.0003","15.751","0.0003","90","","91.141","0.001","90","","1322.03","0.04","298","2","298","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol","9,9'(Biphenyl-4,4'-diyl)difluoren-9-ol","","- C38 H26 O2 -","- C38 H26 O2 -","- C76 H52 O4 -","2","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0541","0.043","","","0.1123","0.1198","","","","","","1.008","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150367","10.2961","0.0001","14.9893","0.0002","17.8825","0.0003","108.255","0.001","91.524","0.001","109.284","0.001","2447.71","0.06","298","2","298","2","","","","","","","","4","P -1","-P 1","2","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 4(N,N- dimethylacetamide) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 4(N,N-dimethylacetamide) clathrate","","- C54 H62 N4 O6 -","- C54 H26 N4 O6 -","- C108 H52 N8 O12 -","2","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.1611","0.0894","","","0.2508","0.299","","","","","","1.071","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150368","7.9629","0.0003","9.0266","0.0004","13.5092","0.0007","77.015","0.002","83.033","0.002","84.212","0.002","936.47","0.07","298","2","298","2","","","","","","","","4","P -1","-P 1","2","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 2(N,N- dimethylacetamide) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 2(N,N-dimethylacetamide) clathrate","","- C46 H44 N2 O4 -","- C46 H44 N2 O4 -","- C46 H44 N2 O4 -","1","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.1197","0.0695","","","0.1722","0.2029","","","","","","1.046","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150369","13.1096","0.0003","12.8883","0.0002","12.0038","0.0002","90","","92.247","0.001","90","","2026.61","0.07","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 3(1,4-dioxane) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(fluoren-9-ol). 3(1,4-dioxane) clathrate","","- C50 H50 O8 -","- C50 H50 O8 -","- C100 H100 O16 -","2","0.5","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0729","0.0468","","","0.1071","0.1191","","","","","","1.024","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150370","7.7993","0.0001","21.9845","0.0004","21.0296","0.0004","90","","94.552","0.001","90","","3594.44","0.11","173","2","173","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","9,9'-(Biphenyl-4,4'-diyl)bis(flouren-9-ol). 2(methyl ethyl ketone) clathrate","9,9'-(Biphenyl-4,4'-diyl)bis(flouren-9-ol). 2(methyl ethyl ketone) clathrate","","- C46 H42 O4 -","- C46 H42 O4 -","- C184 H168 O16 -","4","1","","Caira, Mino R.; le Roex, Tanya; Nassimbeni, Luigi R.; Ripmeester, John A.; Weber, Edwin","Inclusion by a fluorenyl host with volatile guests: structures, thermal stability and kinetics.","Organic & biomolecular chemistry","2004","2","16","2299","2304","10.1039/b400721b","","","0.71073","MoKα","","0.0582","0.044","","","0.1027","0.1106","","","","","","1.022","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150371","7.319","0.001","21.573","0.001","8.799","0.001","90","","108.02","0.01","90","","1321.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H19 N O6 -","- C11 H19 N O6 -","- C44 H76 N4 O24 -","4","1","","Griesbeck, Axel G.; Bondock, Samir; Lex, Johann","Stereoselective generation of vicinal stereogenic quaternary centers by photocycloaddition of 5-methoxy oxazoles to alpha-keto esters: synthesis of erythro beta-hydroxy dimethyl aspartates.","Organic & biomolecular chemistry","2004","2","8","1113","1115","10.1039/b401990c","","","0.71073","MoKα","","0.1965","0.0562","","","0.1017","0.139","","","","","","0.956","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150372","25.75","0.01","11.464","0.002","20.37","0.007","90","","125.61","0.02","90","","4889","3","296","2","296","2","","","","","","","synthesis as described","5","C 1 2/c 1","-C 2yc","15","","","","- C24 H32 Br N O5 -","- C23.992 H31.972 Br N O5 -","- C191.936 H255.776 Br8 N8 O40 -","8","1","","Williams, Craig M.; Heim, Ralf; Brecknell, Douglas J.; Bernhardt, Paul V.","Unprecedented photochemical induced cascading rearrangement of the 3-azabicyclo[3.3.1]nonane skeleton.","Organic & biomolecular chemistry","2004","2","6","806","807","10.1039/b402200a","","x-ray","0.71073","MoKα","","0.1682","0.0529","","","0.1241","0.1662","","","","","","0.998","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150373","7.2889","0.0008","12.26","0.001","16.917","0.004","99.24","0.01","97.78","0.02","90.4","0.01","1477.7","0.4","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","","","","- C32 H39 N O8 -","- C32 H39 N O8 -","- C64 H78 N2 O16 -","2","1","","Williams, Craig M.; Heim, Ralf; Brecknell, Douglas J.; Bernhardt, Paul V.","Unprecedented photochemical induced cascading rearrangement of the 3-azabicyclo[3.3.1]nonane skeleton.","Organic & biomolecular chemistry","2004","2","6","806","807","10.1039/b402200a","","x-ray","0.71073","MoKα","","0.2611","0.0776","","","0.1871","0.2736","","","","","","0.961","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150374","8.827","0.002","21.647","0.004","11.075","0.002","90","","100.493","0.003","90","","2080.8","0.7","293","1","293","2","","","","","","","see text","3","P 1 21/n 1","-P 2yn","14","","","","- C27 H20 S2 -","- C27 H20 S2 -","- C108 H80 S8 -","4","1","","van Delden, Richard A.; ter Wiel, Matthijs K. J.; de Jong, Harmen; Meetsma, Auke; Feringa, Ben L.","Exploring the boundaries of a light-driven molecular motor design: new sterically overcrowded alkenes with preferred direction of rotation.","Organic & biomolecular chemistry","2004","2","10","1531","1541","10.1039/b402222j","","","0.71073","MoKα","","0.0834","0.0498","","","0.1179","0.1342","","","","","","1.022","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150375","15.582","0.0009","9.9509","0.0006","7.9189","0.0005","90","","97.128","0.003","90","","1218.37","0.13","180","2","180","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","1","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.033","0.0309","","","0.0718","0.0735","","","","","","1.098","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150376","5.8416","0.0001","6.9482","0.0002","31.7123","0.0012","86.981","0.001","89.733","0.001","68.635","0.001","1196.89","0.06","180","2","180","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C52 H68 N12 O4 -","4","2","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.0836","0.0603","","","0.1211","0.1306","","","","","","1.145","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150377","12.61","0.003","12.464","0.003","16.763","0.003","90","","107.01","0.03","90","","2519.4","1","240","","240","","","","","","","","?","4","P 1 21/n 1","-P 2yn","14","","","","- C13 H17 N3 O -","- C13 H17 N3 O -","- C104 H136 N24 O8 -","8","2","","Horsley, Helen T.; Holmes, Andrew B.; Davies, John E.; Goodman, Jonathan M.; Silva, María A; Pascu, Sofia I.; Collins, Ian","Investigation of conjugate addition/intramolecular nitrone dipolar cycloadditions and their use in the synthesis of dendrobatid alkaloid precursors.","Organic & biomolecular chemistry","2004","2","8","1258","1265","10.1039/b402307b","","","0.71073","MoKα","","0.1194","0.0477","","0.0581","0.0443","0.0443","","","","","","1.1747","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150378","7.575","0.005","13.478","0.006","10.641","0.006","90","","109.04","0.05","90","","1027","1","295","","295","","","","","","","","?","5","P 1 21 1","P 2yb","4","","","","- C16 H33 N O5 Si -","- C16 H33 N O5 Si -","- C32 H66 N2 O10 Si2 -","2","1","","Li, Hongqing; Blériot, Yves; Chantereau, Caroline; Mallet, Jean-Maurice; Sollogoub, Matthieu; Zhang, Yongmin; Rodríguez-García, Eliazar; Vogel, Pierre; Jiménez-Barbero, Jesús; Sinaÿ, Pierre","The first synthesis of substituted azepanes mimicking monosaccharides: a new class of potent glycosidase inhibitors.","Organic & biomolecular chemistry","2004","2","10","1492","1499","10.1039/b402542c","","","0.71073","MoKα","","0.0799","0.0577","","0.0929","0.068","0.068","","","","","","1.0005","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150379","11.431","0.01","14.985","0.015","10.19","0.03","92.1","0.2","104.7","0.17","70.09","0.09","1585","5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C32 H38.6 N2 O10.3 -","- C32 H38 N2 O10.3 -","- C64 H76 N4 O20.6 -","2","1","","Pasini, Dario; Righetti, Pier Paolo; Zema, Michele","C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation.","Organic & biomolecular chemistry","2004","2","12","1764","1769","10.1039/b403494e","","","0.71073","MoKα","","0.1944","0.0854","","","0.1767","0.2221","","","","","","1.094","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150380","8.186","0.005","18.852","0.016","6.057","0.015","96.7","0.2","106.03","0.11","80.81","0.08","884","2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C36 H46 N2 O12 -","- C36 H46 N2 O12 -","- C36 H46 N2 O12 -","1","0.5","","Pasini, Dario; Righetti, Pier Paolo; Zema, Michele","C2 symmetrical double chromophores: cooperativity effects in lanthanide ion complexation.","Organic & biomolecular chemistry","2004","2","12","1764","1769","10.1039/b403494e","","","0.71073","MoKα","","0.3122","0.1514","","","0.3324","0.4208","","","","","","1.048","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150381","6.9162","0.0012","21.895","0.004","20.761","0.003","90","","91.611","0.004","90","","3142.6","0.9","293","","293","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C8 H4 I2 Se6 -","- C8 H4 I2 Se6 -","- C64 H32 I16 Se48 -","8","2","","Shirahata, Takashi; Imakubo, Tatsuro","Synthesis of novel selenium-containing donors as selenium analogues of diiodo(ethylenedithio)diselenadithiafulvalene (DIETS).","Organic & biomolecular chemistry","2004","2","12","1685","1687","10.1039/b406092j","","","0.71073","MoKα","","0.0706","0.0537","","","0.1321","0.1422","","","","","","1.008","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150382","6.4271","0.0003","7.7669","0.0004","14.1095","0.0008","95.29","0.002","94.206","0.002","111.866","0.002","646.44","0.06","193","2","193","2","","","","","","","","5","P -1","-P 1","2","","","","- C14 H14 F3 N O2 -","- C14 H14 F3 N O2 -","- C28 H28 F6 N2 O4 -","2","1","","Hoffmann-Röder, Anja; Seiler, Paul; Diederich, François","Nucleophilic trifluoromethylation of cyclic imides using (trifluoromethyl)trimethylsilane CF3SiMe3.","Organic & biomolecular chemistry","2004","2","16","2267","2269","10.1039/b407555b","","","0.7107","MoKα","","0.0723","0.0467","","","0.127","0.1507","","","","","","0.931","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150383","5.473","0.0002","11.0206","0.0004","12.9676","0.0005","90","","100.877","0.002","90","","768.1","0.05","180","2","180","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C14 H16 O8 S -","- C14 H16 O8 S -","- C28 H32 O16 S2 -","2","1","","Ley, Steven V.; Dixon, Darren J.; Guy, Richard T.; Palomero, Maria A.; Polara, Alessandra; Rodriguez, Felix; Sheppard, Tom D.","Studies on the generation of enolate anions from butane-2,3-diacetal protected glycolic acid derivatives and subsequent highly diastereoselective coupling reactions with aldehydes and acid chlorides.","Organic & biomolecular chemistry","2004","2","24","3618","3627","10.1039/b412790k","","","0.71069","MoKα","","0.0475","0.0385","","","0.0883","0.0935","","","","","","1.125","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151552","12.5942","0.0011","18.0596","0.0017","22.178","0.002","97.231","0.002","97.264","0.002","104.726","0.002","4773.4","0.8","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H70 O5 -","- C51 H70 O5 -","- C204 H280 O20 -","4","2","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.13","0.073","","0.093","","0.088","","","1.344","","","1.479","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151553","19.111","0.002","19.764","0.002","18.122","0.002","90","","90","","90","","6844.9","1.3","293","2","293","2","","","","","","","","6","P n m a","-P 2ac 2n","62","","","","- C60 H91 N O35 Ru3 S4 -","- C62 H81 N O35 Ru3 S4 -","- C248 H324 N4 O140 Ru12 S16 -","4","0.5","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.103","0.053","","0.087","","0.055","","","1.24","","","1.23","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151554","11.187","0.002","12.038","0.002","12.244","0.002","61.561","0.002","69.877","0.002","74.679","0.002","1351.3","0.4","153","2","153","2","","","","","","","","5","P -1","-P 1","2","","","","- C29 H30 Cl3 N O4 -","- C29 H30 Cl3 N O4 -","- C58 H60 Cl6 N2 O8 -","2","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.059","0.042","","0.052","","0.047","","","0.943","","","0.99","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151555","12.307","0.001","31.192","0.003","12.43","0.001","90","","112.518","0.001","90","","4407.8","0.7","150","2","150","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C50 H60 O4 -","- C50 H60 O4 -","- C200 H240 O16 -","4","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.071","0.046","","0.058","","0.052","","","1.127","","","1.215","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151556","26.365","0.001","12.614","0.001","12.585","0.003","90","","90","","90","","4185.4","1.1","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C46.5 H59.75 N1.25 O4 -","- C46.486 H59.729 N1.243 O4 -","- C185.944 H238.916 N4.972 O16 -","4","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.089","0.073","","0.08","","0.078","","","1.133","","","1.204","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151557","21.163","0.002","21.401","0.002","25.508","0.002","107.194","0.001","108.912","0.001","90.083","0.002","10380.1","1.6","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C55.5 H76 O8 -","- C55.5 H72 O8 -","- C444 H576 O64 -","8","4","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.201","0.107","","0.133","","0.12","","","1.5","","","1.85","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151558","12.439","0.003","13.78","0.003","14.061","0.003","78.082","0.004","88.428","0.004","76.002","0.004","2287.6","0.9","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C51 H70 O5 -","- C51 H70 O5 -","- C102 H140 O10 -","2","1","","Asfari, Zouhair; Bilyk, Alexander; Bond, Cameron; Harrowfield, Jack M.; Koutsantonis, George A.; Lengkeek, Nigel; Mocerino, Mauro; Skelton, Brian W.; Sobolev, Alexandre N.; Strano, Simon; Vicens, Jacques; White, Allan H.","Factors influencing solvent adduct formation by calixarenes in the solid state.","Organic & biomolecular chemistry","2004","2","3","387","396","10.1039/b308214h","","","0.71073","MoKα","","0.142","0.075","","0.088","","0.081","","","1.224","","","1.244","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151575","14.2716","0.0002","17.0905","0.0003","17.5293","0.0002","76.145","0.001","74.066","0.001","80.183","0.001","3966.45","0.1","173","2","173","2","","","","","","","synthesis as described","6","P -1","-P 1","2","[C60F15{C(CO2Et)3}3].2(CDCl3)","","","- C92 H45 Cl6 D2 F15 O18 -","- C92 H47 Cl6 F15 O18 -","- C184 H94 Cl12 F30 O36 -","2","1","","Burley, Glenn A.; Avent, Anthony G.; Gol'dt, Ilya V.; Hitchcock, Peter B.; Al-Matar, Hamad; Paolucci, Demis; Paolucci, Francesco; Fowler, Patrick W.; Soncini, Alessandro; Street, Joan M.; Taylor, Roger","Design and synthesis of multi-component 18 pi annulenic fluorofullerene ensembles suitable for donor-acceptor applications.","Organic & biomolecular chemistry","2004","2","3","319","329","10.1039/b309959h","","x-ray","0.71073","MoKα","","0.1172","0.0902","","","0.2301","0.2518","","","","","","1.014","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151576","10.12","0.001","7.299","0.001","10.965","0.001","90","","98.76","0.01","90","","800.49","0.16","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C7 H9 F O4 -","- C7 H9 F O4 -","- C28 H36 F4 O16 -","4","1","","Rosen, Thomas C.; De Clercq, Erik; Balzarini, Jan; Haufe, Günter","Synthesis and antiviral activity of monofluorinated cyclopropanoid nucleosides.","Organic & biomolecular chemistry","2004","2","2","229","237","10.1039/b310059f","","","1.54178","CuKα","","0.0544","0.0532","","","0.1559","0.1582","","","","","","1.02","","","","has coordinates","213973","2020-10-21","18:00:00",""
"7151577","6.9444","0.0011","6.4862","0.001","9.16","0.002","90","","99.437","0.014","90","","407.01","0.13","","","110","0.5","","","","","","","","4","P 1 21 1","P 2yb","4","(S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo(5,4-c)-pyridine- 5-carboxylic acid ((S)-(-)-5-HPCA)","(S)-(-)-3-Hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]- pyridine-5-carboxylic acid [(S)-(-)-5-HPCA]","","- C7 H10 N2 O5 -","- C7 H10 N2 O5 -","- C14 H20 N4 O10 -","2","1","","Vogensen, Stine B.; Greenwood, Jeremy R.; Varming, Annemarie R.; Brehm, Lotte; Pickering, Darryl S.; Nielsen, Birgitte; Liljefors, Tommy; Clausen, Rasmus P.; Johansen, Tommy N.; Krogsgaard-Larsen, Povl","A stereochemical anomaly: the cyclised (R)-AMPA analogue (R)-3-hydroxy-4,5,6,7-tetrahydroisoxazolo[5,4-c]pyridine-5-carboxylic acid [(R)-5-HPCA] resembles (S)-AMPA at glutamate receptors.","Organic & biomolecular chemistry","2004","2","2","206","213","10.1039/b310450h","","","1.5418","CuKα","","0.0219","0.0207","","0.0305","0.0287","0.0287","","","","","","1.0663","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151589","7.621","0.001","8.543","0.001","14.83","0.002","90","","90","","90","","965.5","0.2","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C2 H7 Cl F N -","- C2 H7 Cl F N -","- C16 H56 Cl8 F8 N8 -","8","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.0344","0.0265","","","0.0651","0.0688","","","","","","1.078","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151590","6.821","0.007","10.177","0.009","12.07","0.02","110.74","0.13","90.8","0.2","103.32","0.09","758.3","1.8","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H19 Cl F N -","- C16 H19 Cl F N -","- C32 H38 Cl2 F2 N2 -","2","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.1876","0.0887","","","0.2026","0.2708","","","","","","0.935","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151591","7.34","0.002","9.302","0.003","12.025","0.004","90","","92.072","0.005","90","","820.5","0.4","125","2","125","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C6 H13 Cl F N O -","- C6 H13 Cl F N O -","- C24 H52 Cl4 F4 N4 O4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.0419","0.0391","","","0.1017","0.1052","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151592","7.335","0.002","6.9524","0.0019","13.17","0.004","90","","93.567","0.005","90","","670.3","0.3","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C4 H10 Cl F2 N -","- C4 H10 Cl F2 N -","- C16 H40 Cl4 F8 N4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.1038","0.0645","","","0.1541","0.1776","","","","","","0.925","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151593","9.21","0.03","12.66","0.04","14.89","0.05","90","","90","","90","","1736","10","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H23 Cl F N -","- C19 H23 Cl F N -","- C76 H92 Cl4 F4 N4 -","4","1","","Briggs, Caroline R. S.; Allen, Mark J.; O'Hagan, David; Tozer, David J.; Slawin, Alexandra M. Z.; Goeta, Andrés E; Howard, Judith A. K.","The observation of a large gauche preference when 2-fluoroethylamine and 2-fluoroethanol become protonated.","Organic & biomolecular chemistry","2004","2","5","732","740","10.1039/b312188g","","","0.71073","MoKα","","0.129","0.0475","","","0.0793","0.1007","","","","","","0.961","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151594","4.8021","0.001","11.86","0.002","21.79","0.004","90","","95.098","0.004","90","","1236.1","0.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10 H10 Cl I N4 O -","- C10 H10 Cl I N4 O -","- C40 H40 Cl4 I4 N16 O4 -","4","1","","Taddei, David; Kilian, Petr; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and full characterisation of 6-chloro-2-iodopurine, a template for the functionalisation of purines.","Organic & biomolecular chemistry","2004","2","5","665","670","10.1039/b312629c","","","0.71073","MoKα","","0.0329","0.0279","","","0.0624","0.0645","","","","","","1.025","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151595","7.172","0.002","16.732","0.005","7.577","0.002","90","","115.863","0.004","90","","818.2","0.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C5 H4 Cl I N4 O -","- C5 H4 Cl I N4 O -","- C20 H16 Cl4 I4 N16 O4 -","4","1","","Taddei, David; Kilian, Petr; Slawin, Alexandra M. Z.; Derek Woollins, J.","Synthesis and full characterisation of 6-chloro-2-iodopurine, a template for the functionalisation of purines.","Organic & biomolecular chemistry","2004","2","5","665","670","10.1039/b312629c","","","0.71073","MoKα","","0.0347","0.0302","","","0.0727","0.0753","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151596","10.841","0.002","11.998","0.003","12.157","0.003","103.14","0.02","97.91","0.02","103.65","0.02","1465.5","0.6","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C15 H20 Br N O2 -","- C15 H19 Br N O2 -","- C60 H76 Br4 N4 O8 -","4","2","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.1402","0.0754","","","0.1702","0.2017","","","","","","1.11","","","","has coordinates","180301","2020-10-21","18:00:00",""
"7151597","6.521","0.001","8.187","0.001","17.336","0.002","90","","92.72","0.01","90","","924.5","0.2","293","2","295","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H27 Cl2 N O3 -","- C17 H27 Cl2 N O3 -","- C34 H54 Cl4 N2 O6 -","2","1","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.0337","0.031","","","0.0863","0.0888","","","","","","1.091","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151598","7.2507","0.0011","12.939","0.002","15.788","0.002","90","","90","","90","","1481.2","0.4","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H20 Cl N O2 -","- C15 H20 Cl N O2 -","- C60 H80 Cl4 N4 O8 -","4","1","","Kodato, Shinichi; Linders, Joannes T. M.; Gu, Xiao-Hui; Yamada, Koichiro; Flippen-Anderson, Judith L; Deschamps, Jeffrey R.; Jacobson, Arthur E.; Rice, Kenner C.","Synthesis of rac-(1R,4aR,9aR)-2-methyl-1,3,4,9a-tetrahydro-2H-1,4a-propanobenzofuro[2,3-c]pyridin-6-ol. An unusual double rearrangement leading to the ortho- and para-f oxide-bridged phenylmorphan isomers.","Organic & biomolecular chemistry","2004","2","3","330","336","10.1039/b312633c","","","0.71073","MoKα","","0.0651","0.0453","","","0.0962","0.1151","","","","","","1.087","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151599","18.525","0.003","10.4917","0.0015","15.695","0.002","90","","95.085","0.002","90","","3038.5","0.8","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C20 H40 Cl4 O2 Sn4 -","- C20 H40 Cl4 O2 Sn4 -","- C80 H160 Cl16 O8 Sn16 -","4","0.5","","Cunningham, Anthony; Mokal-Parekh, Vijaya; Wilson, Claire; Woodward, Simon","On the use of mixtures of organotin species for catalytic enantioselective ketone allylation‒a detective story.","Organic & biomolecular chemistry","2004","2","5","741","748","10.1039/b313384b","","","0.71073","MoKα","","0.0443","0.0332","","","0.0847","0.0888","","","","","","1.031","","","","has coordinates,has disorder","180301","2020-10-21","18:00:00",""
"7151600","18.064","0.001","13.961","0.001","9.143","0.001","90","","90","","90","","2305.8","0.3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H31 N O4 -","- C25 H31 N O4 -","- C100 H124 N4 O16 -","4","1","","Urones, Julio G.; Garrido, Narciso M.; Díez, David; El Hammoumi, Mohamed M.; Dominguez, Sara H.; Antonio Casaseca, J.; Davies, Stephen G.; Smith, Andrew D.","Asymmetric synthesis of the stereoisomers of 2-amino-5-carboxymethyl-cyclopentane-1-carboxylate.","Organic & biomolecular chemistry","2004","2","3","364","372","10.1039/b313386a","","","1.5418","CuKα","","0.0483","0.0457","","0.1272","0.121","","","","1.047","1.041","1.041","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151601","18.1633","0.0008","11.0249","0.0005","14.0928","0.0008","90","","97.171","0.002","90","","2800","0.2","","","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2'-dihydroxyl-1,1'-binaphthyl diquinoline","2,2'-dihydroxyl-1,1'-binaphthyl diquinoline","","- C38 H28 N2 O2 -","- C38 H28 N2 O2 -","- C152 H112 N8 O8 -","4","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.1264","0.0531","","","0.1001","0.1235","","","","","","1.017","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151602","14.8402","0.0003","10.5377","0.0002","9.7304","0.0002","90","","99.443","0.001","90","","1501.04","0.05","","","203","2","","","","","","","","4","C 1 2 1","C 2y","5","2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline","2,2-dihydroxyl-1,1'-binaphthyl di-2-methylquinoline","","- C40 H32 N2 O2 -","- C40 H32 N2 O2 -","- C80 H64 N4 O4 -","2","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.063","0.0378","","","0.081","0.0894","","","","","","1.037","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151603","8.8396","0.0001","9.4695","0.0001","21.6106","0.0003","94.652","0.001","98.068","0.001","103.822","0.001","1726.77","0.04","","","203","2","","","","","","","","4","P -1","-P 1","2","2,2'-dihydroxyl-1,1'-binaphthyl 6-methylquinoline clathrate","2,2'-dihydroxyl-1,1'-binaphthyl 6-methylquinoline clathrate","","- C45 H36.5 N2.5 O2 -","- C45 H32 N2.5 O2 -","- C90 H64 N5 O4 -","2","1","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.118","0.0745","","","0.2028","0.2283","","","","","","1.068","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151604","14.4495","0.0003","11.0481","0.0003","19.6571","0.0006","90","","105.1","0.001","90","","3029.7","0.14","","","203","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","2,2-dihydroxyl-1,1'-binaphthyl di-8-methylquinoline","2,2-dihydroxyl-1,1'-binaphthyl di-8-methylquinoline","","- C40 H32 N2 O2 -","- C40 H32 N2 O2 -","- C160 H128 N8 O8 -","4","0.5","","Caira, Mino R.; Paul Chang, Y.; Nassimbeni, Luigi R.; Su, Hong","Inclusion of quinolines by binaphthol: structures and selectivity.","Organic & biomolecular chemistry","2004","2","5","655","659","10.1039/b314691j","","","0.71073","MoKα","","0.111","0.0534","","","0.1265","0.152","","","","","","1.018","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151605","8.9072","0.0013","18.141","0.003","12.9956","0.0019","90","","94.949","0.003","90","","2092.1","0.6","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H24 N2 O5 S -","- C20 H24 N2 O5 S -","- C80 H96 N8 O20 S4 -","4","1","","Scanlan, Eoin M.; Slawin, Alexandra M. Z.; Walton, John C.","Preparation of beta- and gamma-lactams from carbamoyl radicals derived from oxime oxalate amides.","Organic & biomolecular chemistry","2004","2","5","716","724","10.1039/b315223e","","","0.71073","MoKα","","0.0405","0.0341","","","0.0831","0.0868","","","","","","1.041","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151606","12.626","0.001","14.332","0.002","20.971","0.002","90","","95.257","0.002","90","","3778.9","0.7","120","","120","","","","","","","","","4","P 1 21 1","P 2yb","4","","4-(Di-tert-butyl-hydroxy-silanyloxy)-2-methyl-5-oxo-2,5-dihydro-furan- -2-carboxylic acid ethyl ester","","- C16 H28 O6 Si -","- C16 H28 O6 Si -","- C128 H224 O48 Si8 -","8","4","","Gathergood, Nicholas; Juhl, Karsten; Poulsen, Thomas B.; Thordrup, Karl; Jørgensen, Karl Anker","Direct catalytic asymmetric aldol reactions of pyruvates: scope and mechanism.","Organic & biomolecular chemistry","2004","2","7","1077","1085","10.1039/b316092k","","","0.71073","MoKα","","","0.055","","","","0.065","","","","","","1.45","","","","has coordinates","193981","2020-10-21","18:00:00",""
"7151607","6.4668","0.0005","10.4584","0.0004","19.4553","0.0012","90","","90","","90","","1315.81","0.14","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H19 N O5 -","- C11 H19 N O5 -","- C44 H76 N4 O20 -","4","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3S)-3'-fluoroisoleucine.","Organic & biomolecular chemistry","2004","2","5","797","802","10.1039/b316219b","","x-ray","0.71073","MoKα","","0.0441","0.0397","","","0.1023","0.1052","","","","","","1.102","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151608","9.811","0.007","13.067","0.006","11.121","0.005","90","","104.99","0.04","90","","1377.2","1.3","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H36 F N O4 Si -","- C27 H36 F N O4 Si -","- C54 H72 F2 N2 O8 Si2 -","2","1","","Charrier, Jean-Damien; Hadfield, David S.; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3S)-3'-fluoroisoleucine.","Organic & biomolecular chemistry","2004","2","5","797","802","10.1039/b316219b","","","1.5418","CuKα","","0.0744","0.0635","","0.1749","0.1634","","","","1.061","1.083","1.083","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151609","5.2672","0.0014","12.0311","0.0014","17.196","0.002","104.049","0.009","98.288","0.015","99.018","0.015","1025","0.3","290","2","290","2","","","","","","","","5","P 1","P 1","1","","","","- C22 H25 N O2 Se -","- C22 H25 N O2 Se -","- C44 H50 N2 O4 Se2 -","2","2","","Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.","Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.","Organic & biomolecular chemistry","2004","2","9","1315","1329","10.1039/b316502g","","","1.54178","CuKα","","0.0362","0.0325","","","0.0712","0.0735","","","","","","1.097","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151610","9.055","0.0009","4.8997","0.0006","18.0554","0.0019","90","","100.842","0.003","90","","786.76","0.15","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H19 N O2 Se -","- C19 H19 N O2 Se -","- C38 H38 N2 O4 Se2 -","2","1","","Bourland, T. Campbell; Carter, Rich G.; Yokochi, Alexandre F. T.","Vanadium-catalyzed selenide oxidation with in situ[2,3] sigmatropic rearrangement (SOS reaction): scope and asymmetric applications.","Organic & biomolecular chemistry","2004","2","9","1315","1329","10.1039/b316502g","","","1.54178","CuKα","","0.0319","0.0319","","","0.0914","0.0914","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151611","10.2869","0.0016","6.7635","0.0011","11.4718","0.0018","90","","111.162","0.003","90","","744.3","0.2","289","2","289","2","","","","","","","","4","P 1 21/m 1","-P 2yb","11","(E)-4-(11-azuleno(2,1-b)benzothiophenyl)-3-butene-2-one","(E)-4-(11-azuleno[2,1-b]benzothiophenyl)-3-butene-2-one","","- C20 H14 O S -","- C20 H14 O S -","- C40 H28 O2 S2 -","2","0.5","","Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko","An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative.","Organic & biomolecular chemistry","2004","2","9","1413","1418","10.1039/b401579g","","","0.71073","MoKα","","0.0529","0.0413","","","0.11","0.1173","","","","","","1.027","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151612","18.905","0.003","4.7718","0.0007","33.799","0.005","90","","90","","90","","3049","0.8","298","2","298","2","","","","","","","","4","P c a 21","P 2c -2ac","29","(E)-4-(11-azuleno(1,2-b)benzothiophenyl)-3-butene-2-one","(E)-4-(11-azuleno[1,2-b]benzothiophenyl)-3-butene-2-one","","- C20 H14 O S -","- C20 H14 O S -","- C160 H112 O8 S8 -","8","2","","Yamamura, Kimiaki; Houda, Yuuko; Hashimoto, Masao; Kimura, Takatomo; Kamezawa, Makoto; Otani, Takehiko","An efficient novel synthesis of beta-(azuleno[1,2-b]benzothienyl)- and beta-(azuleno[2,1-b]benzothienyl)-alpha,beta-unsaturated ketones by the tropylium ion-mediated intramolecular furan ring-opening reaction and X-ray investigation of methyl ketone derivative","Organic & Biomolecular Chemistry","2004","2","9","1413","1418","10.1039/b401579g","","","0.71073","MoKα","","0.1765","0.0827","","","0.1934","0.2379","","","","","","0.917","","","","has coordinates","275176","2022-05-07","00:55:58",""
"7151613","9.767","0.005","13.052","0.004","11.178","0.004","90","","105.26","0.03","90","","1374.7","1","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C27 H34 D3 N O4 Si -","- C27 H37 N O4 Si -","- C54 H74 N2 O8 Si2 -","2","1","","Charrier, Jean-Damien; Hitchcock, Peter B.; Young, Douglas W.","Synthesis of (2S,3R)-[3',3',3'-2H3]-valine and (2S,3S)-4-fluorovaline.","Organic & biomolecular chemistry","2004","2","9","1310","1314","10.1039/b401646g","","","1.5418","CuKα","","0.0595","0.0479","","0.1277","0.1173","","","","1.047","1.058","1.058","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151614","7.673","0.001","11.394","0.002","11.894","0.002","97.22","0.01","106.92","0.01","90.85","0.01","985.5","0.3","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F2 N3 O2 -","- C23 H19 F2 N3 O2 -","- C46 H38 F4 N6 O4 -","2","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","1.5418","CuKα","","0.0533","0.0449","","","0.1256","0.1343","","","","","","1.08","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151615","9.4926","0.0002","10.3004","0.0003","10.9831","0.0003","93.68","0.001","94.13","0.001","115.22","0.001","963.64","0.04","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H19 F2 N3 O2 -","- C23 H19 F2 N3 O2 -","- C46 H38 F4 N6 O4 -","2","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0583","0.0437","","","0.1161","0.1293","","","","","","1.048","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151616","3.7369","0.0002","6.2036","0.0003","28.8526","0.0018","90","","90","","90","","668.87","0.06","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C8 H3 F2 N O -","- C8 H3 F2 N O -","- C32 H12 F8 N4 O4 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0405","0.0327","","","0.0677","0.0722","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151617","11.636","0.0006","6.9444","0.0004","26.6949","0.0016","90","","98.983","0.002","90","","2130.6","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C23 H21 Cl F3 N3 O3 -","- C23 H21 Cl F3 N3 O3 -","- C92 H84 Cl4 F12 N12 O12 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.0782","0.0664","","","0.1639","0.1709","","","","","","1.169","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151618","4.889","0.0007","20.18","0.002","19.844","0.002","90","","96.211","0.005","90","","1946.3","0.4","243","2","243","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H18 F3 N3 O2 -","- C23 H18 F3 N3 O2 -","- C92 H72 F12 N12 O8 -","4","1","","Olsen, Jacob; Seiler, Paul; Wagner, Björn; Fischer, Holger; Tschopp, Thomas; Obst-Sander, Ulrike; Banner, David W.; Kansy, Manfred; Müller, Klaus; Diederich, François","A fluorine scan of the phenylamidinium needle of tricyclic thrombin inhibitors: effects of fluorine substitution on pKa and binding affinity and evidence for intermolecular C-F...CN interactions.","Organic & biomolecular chemistry","2004","2","9","1339","1352","10.1039/b402515f","","","0.7107","MoKα","","0.1434","0.1252","","","0.3214","0.3317","","","","","","1.161","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151619","8.3987","0.0006","5.7449","0.0004","15.9653","0.0012","90","","90.774","0.001","90","","770.25","0.1","173","2","173","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C21 H17 N O -","- C21 H17 N O -","- C42 H34 N2 O2 -","2","1","","Yamamoto, Yoshihiko; Kinpara, Keisuke; Saigoku, Tomoaki; Nishiyama, Hisao; Itoh, Kenji","Synthesis of benzo-fused lactams and lactones via Ru(II)-catalyzed cycloaddition of amide- and ester-tethered alpha,omega-diynes with terminal alkynes: electronic directing effect of internal conjugated carbonyl group.","Organic & biomolecular chemistry","2004","2","9","1287","1294","10.1039/b402649g","","","0.71073","MoKα","","0.0506","0.0493","","","0.1318","0.1349","","","","","","0.719","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151620","19.184","0.003","19.184","0.003","10.165","0.004","90","","90","","90","","3741","1.7","180","2","180","2","","","","","","","","4","P 41 21 2","P 4abw 2nw","92","","","","- C16 H26 F2 O8 -","- C16 H26 F2 O8 -","- C128 H208 F16 O64 -","8","1","","Frederickson, Martyn; Roszak, Aleksander W.; Coggins, John R.; Lapthorn, Adrian J.; Abell, Chris","(1R,4S,5R)-3-Fluoro-1,4,5-trihydroxy-2-cyclohexene-1-carboxylic acid: the fluoro analogue of the enolate intermediate in the reaction catalyzed by type II dehydroquinases.","Organic & biomolecular chemistry","2004","2","11","1592","1596","10.1039/b404535a","","","0.71069","MoKα","","0.0738","0.0473","","0.1077","0.096","","","","1.024","1.07","1.07","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151621","9.2885","0.0004","9.7175","0.0004","10.1841","0.0005","67.61","0.002","83.86","0.002","66.887","0.002","780.73","0.06","120","2","120","2","","","","","","","","4","P -1","-P 1","2","Ethyl-5-acetyl-8-methoxy-3a,4,5,9b-tetrahydro-3H- cyclopenta(c)quinoline -4-carboxylate","","","- C18 H21 N O4 -","- C18 H21 N O4 -","- C36 H42 N2 O8 -","2","1","","Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew","Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.","Organic & biomolecular chemistry","2004","2","17","2451","2460","10.1039/b407293f","","","0.71073","MoKα","","0.0735","0.049","","","0.1329","0.1433","","","","","","1.034","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151622","7.959","0.014","16.44","0.014","12.342","0.013","90","","90.01","0.01","90","","1615","4","293","2","293","2","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H19 N O5 -","- C17 H19 N O5 -","- C68 H76 N4 O20 -","4","1","","Hermitage, Stephen; Howard, Judith A. K.; Jay, David; Pritchard, Robin G.; Probert, Michael R.; Whiting, Andrew","Mechanistic studies on the formal aza-Diels-Alder reactions of N-aryl imines: evidence for the non-concertedness under Lewis-acid catalysed conditions.","Organic & biomolecular chemistry","2004","2","17","2451","2460","10.1039/b407293f","","x-ray","1.54178","CuKα","","0.0867","0.0559","","","0.1366","0.1564","","","","","","1.012","","","","has coordinates,has disorder","180302","2020-10-21","18:00:00",""
"7151623","7.22","0.0008","8.7222","0.0013","11.6617","0.0014","90","","98.271","0.011","90","","726.75","0.16","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 I N6 O2 -","- C10 H15 I N6 O2 -","- C20 H30 I2 N12 O4 -","2","0.5","","Krüger, Thomas; Bruhn, Clemens; Steinborn, Dirk","Synthesis of [(MeCyt)2H]I-structure and stability of a dimeric threefold hydrogen-bonded 1-methylcytosinium 1-methylcytosine cation.","Organic & biomolecular chemistry","2004","2","17","2513","2516","10.1039/b407542k","","","0.71073","MoKα","","0.0418","0.0286","","","0.0557","0.062","","","","","","1.096","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7151624","9.287","0.0002","9.393","0.0002","10.735","0.0003","81.726","0.001","72.983","0.001","71.805","0.002","849.25","0.04","295","2","295","2","","","","","","","","3","P -1","-P 1","2","9-[4-(N,N-Dimethylamino)phenyl]ethynyl-acridine","","","- C23 H18 N2 -","- C23 H18 N2 -","- C46 H36 N4 -","2","1","","Elangovan, Arumugasamy; Chiu, Hsing-Hua; Yang, Shu-Wen; Ho, Tong-Ing","Arylethynylacridines: electrochemiluminescence and photophysical properties.","Organic & biomolecular chemistry","2004","2","21","3113","3118","10.1039/b410829a","","","0.71073","MoKα","","0.0671","0.0483","","0.1449","0.1278","","","","1.023","1.067","1.067","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151625","14.668","0.002","5.7076","0.0008","18.373","0.003","90","","95.266","0.003","90","","1531.7","0.4","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C14 H25 N O5 -","- C14 H25 N O5 -","- C56 H100 N4 O20 -","4","1","","Cren, Sylvaine; Gurcha, Sudagar S.; Blake, Alexander J.; Besra, Gurdyal S.; Thomas, Neil R.","Synthesis and biological evaluation of new inhibitors of UDP-Galf transferase‒a key enzyme in M. tuberculosis cell wall biosynthesis.","Organic & biomolecular chemistry","2004","2","17","2418","2420","10.1039/b411554f","","","0.71073","MoKα","","0.0486","0.0396","","","0.107","0.113","","","","","","1.07","","","","has coordinates","180302","2020-10-21","18:00:00",""
"7153515","14.9171","0.0002","12.9531","0.0002","19.9159","0.0003","90","","107.734","0.0008","90","","3665.33","0.09","172","","","","","","","","","","Diederich Group","4","P 1 21/a 1","-P 2yab","14","","","","- C22 H22 N2 O2 -","- C22 H22 N2 O2 -","- C176 H176 N16 O16 -","8","2","","Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois","New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.","Organic & Biomolecular Chemistry","2004","2","14","1962","1964","10.1039/b404311a","","","0.71073","MoKα","","0.0671","0.0485","","","0.1391","0.1541","","","","","","1.053","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153516","7.6166","0.0003","16.8616","0.0008","17.8082","0.0007","88.088","0.003","81.177","0.003","77.664","0.002","2207.83","0.16","100","","","","","","","","","","","5","P -1","-P 1","2","","","","- C42.5 H52 Cl1.5 N12 O4 -","- C42.5 H52 Cl1.5 N12 O4 -","- C85 H104 Cl3 N24 O8 -","2","1","","Faraoni, Raffaella; Blanzat, Muriel; Kubicek, Stefan; Braun, Christophe; Schweizer, W. Bernd; Gramlich, Volker; Diederich, Fran�ois","New Rebek imide-type receptors for adenine featuring acetylene-linked ?-stacking platformsElectronic supplementary information (ESI) available: synthetic protocols, binding studies and Job plot analysis. See http://www.rsc.org/suppdata/ob/b4/b404311a/.","Organic & Biomolecular Chemistry","2004","2","14","1962","1964","10.1039/b404311a","","","0.71073","MoKα","","0.1056","0.0843","","","0.2208","0.2353","","","","","","1.622","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153517","5.804","0.001","11.033","0.001","15.991","0.001","90","","90","","90","","1024","0.2","100","","100","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H16 N2 O5 -","- C8 H16 N2 O5 -","- C32 H64 N8 O20 -","4","1","","Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition","Organic & Biomolecular Chemistry","2004","2","18","2630","2649","10.1039/b404962d","","","0.71073","MoKα","","0.041","0.0389","","0.0311","0.0309","0.0309","","","","","","1.1139","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153518","8.2499","0.0009","13.392","0.003","18.48","0.002","90","","90","","90","","2041.7","0.6","298","","","","","","","","","","?","5","P 21 21 21","P 2ac 2ab","19","","","","- C19 H26 I N O4 -","- C19 H26 I N O4 -","- C76 H104 I4 N4 O16 -","4","1","","Davies, Stephen G.; Haggitt, Jane R.; Ichihara, Osamu; Kelly, Richard J.; Leech, Michael A.; Price Mortimer, Anne J.; Roberts, Paul M.; Smith, Andrew D.","Asymmetric total synthesis of sperabillins B and D via lithium amide conjugate addition","Organic & Biomolecular Chemistry","2004","2","18","2630","2649","10.1039/b404962d","","","1.54175","CuKα","","","0.036","","","0.04","","","","","","","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153519","9.0094","0.0005","13.0282","0.0007","15.5661","0.0012","90","","90","","90","","1827.1","0.2","183","2","183","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H16 N3 O6 Tc -","- C16 H16 N3 O6 Tc -","- C64 H64 N12 O24 Tc4 -","4","1","","van Staveren, Dave R.; Mundwiler, Stefan; Hoffmanns, Ulrich; Pak, Jae Kyoung; Spingler, Bernhard; Metzler-Nolte, Nils; Alberto, Roger","Conjugation of a novel histidine derivative to biomolecules and labelling with [99mTc(OH2)3(CO)3]+Electronic supplementary information (ESI) available: complete 1H and 13C NMR spectra of 14, 15, 16 and 19. See http://www.rsc.org/suppdata/ob/b4/b405575f/","Organic & Biomolecular Chemistry","2004","2","18","2593","2603","10.1039/b405575f","","","0.71073","MoKα","","0.0501","0.0386","","","0.0874","0.0915","","","","","","0.981","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153520","9.685","0.008","8.592","0.006","23.185","0.013","90","","92.13","0.03","90","","1928","2","93","2","93","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C21 H28 O5 -","- C21 H28 O5 -","- C84 H112 O20 -","4","2","","Kino, Rie; Daikai, Kazuhiro; Kawanami, Toshio; Furuno, Hiroshi; Inanaga, Junji","Remarkable effect of tris(4-fluorophenyl)phosphine oxide on the stabilization of chiral lanthanum complex catalysts. A new and practical protocol for the highly enantioselective epoxidation of conjugated enonesElectronic supplementary information (ESI) available: HPLC analysis of 2, 1H NMR data for 3 and 4, and crystal data for 5. See http://www.rsc.org/suppdata/ob/b4/b405882h/","Organic & Biomolecular Chemistry","2004","2","13","1822","1824","10.1039/b405882h","","","0.71075","MoKα","","0.1613","0.1203","","","0.2872","0.3124","","","","","","1.067","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153521","21.0458","0.0009","5.9725","0.0002","13.3797","0.0007","90","","110.221","0.002","90","","1578.12","0.12","180","2","180","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C14 H21 N O4 S -","- C14 H21 N O4 S -","- C56 H84 N4 O16 S4 -","4","1","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.","Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones","Organic & Biomolecular Chemistry","2004","2","20","2932","2934","10.1039/b406804c","","","0.71073","MoKα","","0.0836","0.0571","","","0.1339","0.1506","","","","","","1.123","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153522","19.5297","0.0006","5.7494","0.0002","13.7124","0.0006","90","","105.224","0.002","90","","1485.65","0.1","180","2","180","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C15 H21 N O4 -","- C15 H21 N O4 -","- C60 H84 N4 O16 -","4","1","","Buchanan, David J.; Dixon, Darren J.; Hernandez-Juan, Felix A.","Highly stereoselective oxy-Michael additions to ?,?-disubstituted nitro olefins: asymmetric synthesis of pseudo-norephedrine derivatives and THP* protected ?-hydroxy ketones","Organic & Biomolecular Chemistry","2004","2","20","2932","2934","10.1039/b406804c","","","0.71073","MoKα","","0.0708","0.0475","","","0.1099","0.1201","","","","","","1.021","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153523","12.342","0.017","28.44","0.04","13.777","0.019","90","","107.291","0.018","90","","4617","11","125","2","125","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19.5 H19.5 Cl1.5 N3 O6 -","- C19.5 H18.5 Cl1.5 N3 O6 -","- C156 H148 Cl12 N24 O48 -","8","2","","Pearson, Russell J.; Kassianidis, Eleftherios; Slawin, Alexandra M. Z.; Philp, Douglas","Self-replication vs. reactive binary complexes?manipulating recognition-mediated cycloadditions by simple structural modifications","Organic & Biomolecular Chemistry","2004","2","23","3434","3441","10.1039/b406862a","","","0.71073","MoKα","","0.6464","0.162","","","0.2765","0.5156","","","","","","0.818","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153524","31.0859","0.0007","31.0859","0.0007","4.6544","0.0001","90","","90","","120","","3895.12","0.15","150","2","173","2","","","","","","","","4","R 3 m :H","R 3 -2""","160","hexakis(2-pyridylmethyl)cyclotriveratrylene hydrate","","","- C57 H51 N6 O10.5 -","- C57 H48 N6 O10.5 -","- C171 H144 N18 O31.5 -","3","0.166667","","Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.","Building blocks for cyclotriveratrylene-based coordination networks","Organic & Biomolecular Chemistry","2004","2","20","2958","2964","10.1039/b407165d","","","0.71073","MoKα","","0.0884","0.0831","","","0.2232","0.2296","","","","","","1.125","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153525","12.036","0.002","12.09","0.002","18.469","0.004","104.18","0.03","98.27","0.03","109.89","0.03","2372.9","1.1","150","2","293","2","","","","","","","","4","P -1","-P 1","2","tris(8-quinolinylmethyl)cyclotriguaiacylene) aceonitrile solvate","","","- C58 H51 N5 O6 -","- C58 H51 N5 O6 -","- C116 H102 N10 O12 -","2","1","","Hardie, Michaele J.; Mills, Rachael M.; Sumby, Christopher J.","Building blocks for cyclotriveratrylene-based coordination networks","Organic & Biomolecular Chemistry","2004","2","20","2958","2964","10.1039/b407165d","","","0.71073","MoKα","","0.0799","0.0627","","","0.1623","0.178","","","","","","1.056","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153526","16.912","0.006","21.522","0.008","31.46","0.012","90.638","0.007","102.614","0.007","105.37","0.008","10746","7","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","","","- C45 H74.5 B3 F12 N2 O8.25 P -","- C45 H74 B3 F12 N2 O8.25 P -","- C360 H592 B24 F96 N16 O66 P8 -","8","4","","Georges, Norma; Loeb, Stephen J.; Tiburcio, Jorge; Wisner, James A.","[2]Rotaxanes containing pyridinium?phosphonium axles and 24-crown-8 ether wheels","Organic & Biomolecular Chemistry","2004","2","19","2751","2756","10.1039/b407653b","","","0.71073","MoKα","","0.2402","0.1061","","","0.2777","0.3365","","","","","","0.975","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153527","22.881","0.003","6.314","0.001","28.86","0.004","90","","109.86","0.01","90","","3921.4","1","120","2","120","2","","","","","","","","4","P 1 21/a 1","-P 2yab","14","2-(4-tert-butylphenyl)-5-(4-(2-pyrazylethynyl)phenyl)-1,3,4- oxadiazole","2-(4-tert-butylphenyl)-5-{4-(2-pyrazylethynyl)phenyl}- 1,3,4-oxadiazole","","- C24 H20 N4 O -","- C24 H20 N4 O -","- C192 H160 N32 O8 -","8","2","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0823","0.0497","","","0.1328","0.1537","","","","","","0.971","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153528","6.1665","0.0005","6.9748","0.0005","22.943","0.003","83.55","0.01","84.09","0.01","83.67","0.01","970.45","0.17","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-tert-butylphenyl)-5-{4-(3-thienylethynyl)phenyl}- 1,3,4-oxadiazole","","- C24 H20 N2 O S -","- C24 H20 N2 O S -","- C48 H40 N4 O2 S2 -","2","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.041","0.037","","","0.104","0.1081","","","","","","1.02","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153529","6.345","0.002","6.985","0.002","23.672","0.008","94.24","0.01","91.96","0.01","91.93","0.01","1045","0.6","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","2-(4-tert-butylphenyl)-5-{4-(5-ethynyl-2-thienylethynyl)phenyl}- 1,3,4-oxadiazole","","- C26 H20 N2 O S -","- C26 H19.95 N2 O S -","- C52 H39.9 N4 O2 S2 -","2","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0725","0.0451","","","0.1147","0.1366","","","","","","1.072","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153530","6.1798","0.0004","26.851","0.008","13.65","0.001","90","","92.26","0.01","90","","2263.2","0.7","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","2-(4-tert-butylphenyl)-5-{5-(2-pyrazyl-ethynyl)-2-thienyl}- 1,3,4-oxadiazole, chloroform monosolvate","","- C23 H19 Cl3 N4 O S -","- C23 H19 Cl3 N4 O S -","- C92 H76 Cl12 N16 O4 S4 -","4","1","","Hughes, Gregory; Kreher, David; Wang, Changsheng; Batsanov, Andrei S.; Bryce, Martin R.","Ethynyl ?-extended 2,5-diphenyl-1,3,4-oxadiazoles and 2-phenyl 5-(2-thienyl)-1,3,4-oxadiazoles: synthesis, X-ray crystal structures and optical properties","Organic & Biomolecular Chemistry","2004","2","22","3363","3367","10.1039/b407698m","","","0.71073","MoKα","","0.0647","0.035","","","0.0718","0.0809","","","","","","0.93","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153531","8.23","0.01","9.09","0.02","22.57","0.04","90","","90","","90","","1688","5","82","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C17 H23 N O4 S -","- C17 H23 N O4 S -","- C68 H92 N4 O16 S4 -","4","1","","Wang, Libo; Nakamura, Shuichi; Toru, Takeshi","Highly enantioselective reaction of lithiated N-Boc-thiazolidine: a new chiral formyl anion equivalent","Organic & Biomolecular Chemistry","2004","2","15","2168","2169","10.1039/b408509d","","","1.5419","CuKα","","","0.066","","","","0.068","","","","","","4.581","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153532","9.1902","0.0005","14.444","0.0007","15.8727","0.001","90","","94.398","0.002","90","","2100.8","0.2","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","","N-Cyclohexyl-2-cyclohexylimino-2-phenylacetimidic acid isopropyl ester","","- C23 H34 N2 O -","- C23 H34 N2 O -","- C92 H136 N8 O4 -","4","2","","Whitby, Richard J.; Gustaf Saluste, C.; Furber, Mark","Synthesis of ?-iminoimidates by palladium catalysed double isonitrile insertion","Organic & Biomolecular Chemistry","2004","2","14","1974","1976","10.1039/b408673m","","","0.71073","MoKα","","0.0683","0.0439","","","0.0905","0.0986","","","","","","1.191","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153533","11.1668","0.0003","11.7777","0.0003","20.32","0.0006","90","","90","","90","","2672.47","0.13","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 N4 O3 -","- C30 H36 N4 O3 -","- C120 H144 N16 O12 -","4","1","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1061","0.0765","","","0.1793","0.1945","","","","","","1.036","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153534","13.788","0.002","17.251","0.003","9.9242","0.001","90","","107.786","0.009","90","","2247.7","0.6","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H35 N3 O3 -","- C23 H35 N3 O3 -","- C92 H140 N12 O12 -","4","1","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1753","0.1281","","","0.2857","0.3148","","","","","","1.065","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153535","13.0112","0.0009","17.31","0.003","17.729","0.004","88.46","0.014","81.647","0.01","88.021","0.01","3947.3","1.2","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C25.17 H40.5 N4.17 O2.33 -","- C25.1667 H40.5 N4.16667 O2.33333 -","- C151 H243 N25 O14 -","6","3","","El Drubi Vega, Ismael; Gale, Philip A.; Hursthouse, Michael B.; Light, Mark E.","Anion binding properties of 5,5?-dicarboxamido-dipyrrolylmethanes","Organic & Biomolecular Chemistry","2004","2","20","2935","2941","10.1039/b409115a","","","0.71073","MoKα","","0.1121","0.0904","","","0.2491","0.2694","","","","","","1.112","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153536","7.476","0.0001","14.31","0.0002","26.388","0.0004","90","","90","","90","","2823.03","0.07","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H41 N3 O5 S2 -","- C28 H41 N3 O5 S2 -","- C112 H164 N12 O20 S8 -","4","1","","Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael","The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/","Organic & Biomolecular Chemistry","2004","2","18","2664","2670","10.1039/b409259g","","","0.71073","MoKα","","0.0619","0.0419","","","0.0854","0.0931","","","","","","0.999","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153537","10.752","0.004","11.183","0.005","21.829","0.01","90","","90","","90","","2624.7","1.9","160","2","160","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C24 H37 N3 O4 S2 -","- C24 H37 N3 O4 S2 -","- C96 H148 N12 O16 S8 -","4","1","","Scheuermann, J. Erik W.; Sibbons, Kevin F.; Benoit, David M.; Motevalli, Majid; Watkinson, Michael","The synthesis of unsymmetrically N-substituted chiral 1,4,7-triazacyclononanesElectronic supplementary information (ESI) available: Molecular modelling methodology. Figs. S1?S4: Lowest energy conformation calculated for the protonated form of 6b, 6b�HOAc, the protonated form of 6a and 6a�HOAc. Figs. S5 and S6: Charge distribution calculated for the protonated forms of 6a and 6b. See http://www.rsc.org/suppdata/ob/b4/b409259g/","Organic & Biomolecular Chemistry","2004","2","18","2664","2670","10.1039/b409259g","","","0.71069","MoKα","","0.0887","0.0448","","","0.1024","0.1162","","","","","","1.055","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153538","14.1926","0.0007","14.1055","0.0009","18.319","0.0011","90","","90","","90","","3667.3","0.4","150","2","150","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","7-NEt2,4'-OH","","- C19 H20 B F4 N O2 -","- C19 H20 B F4 N O2 -","- C152 H160 B8 F32 N8 O16 -","8","1","","Moncada, Margarida C.; Fern�ndez, Dami�n; Lima, Jo�o C.; Parola, A. Jorge; Lodeiro, Carlos; Folgosa, Filipe; Melo, M. Jo�o; Pina, Fernando","Multistate properties of 7-(N,N-diethylamino)-4?-hydroxyflavylium. An example of an unidirectional reaction cycle driven by pH","Organic & Biomolecular Chemistry","2004","2","19","2802","2808","10.1039/b409260k","","","1.5418","CuKα","","0.0886","0.0607","","","0.1549","0.1975","","","","","","0.998","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153539","10.259","0.001","16.12","0.002","8.654","0.002","104.45","0.01","105.78","0.01","96.235","0.008","1309.5","0.4","296.2","","","","","","","","","","","4","P -1","-P 1","2","","","","- C31 H31 N O4 -","- C31 H31 N O4 -","- C62 H62 N2 O8 -","2","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka","Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors","Organic & Biomolecular Chemistry","2004","2","23","3427","3431","10.1039/b411286e","","","1.5418","CuKα","","","0.0587","","","","0.1827","","","","","","1.358","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153540","7.309","0.001","15.546","0.001","13.8909","0.0009","90","","104.34","0.008","90","","1529.2","0.3","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C17 H19 N O4 -","- C17 H19 N O4 -","- C68 H76 N4 O16 -","4","1","","Ando, Kumiko; Tsuji, Eriko; Ando, Yuko; Kunitomo, Jun-ichi; Yamashita, Masayuki; Ohta, Shunsaku; Nabe, Takeshi; Kohno, Shigekatsu; Yokomizo, Takehiko; Shimizu, Takao; Ohishi, Yoshitaka","Preparation of 2- and 4-(2-alkylcarbamoyl-1-methylvinyl)-7-alkyloxybenzo[b]furans having potent antagonistic activity against human leukotriene B4 BLT1 and/or BLT2 receptors","Organic & Biomolecular Chemistry","2004","2","23","3427","3431","10.1039/b411286e","","","1.5418","CuKα","","","0.0659","","","","0.213","","","","","","1.721","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153541","10.818","0.011","11.701","0.013","12.827","0.013","105.1","0.1","101.25","0.1","115.44","0.1","1325","3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C44 H70 F12 N8 O12 P2 -","- C44 H70 F12 N8 O12 P2 -","- C44 H70 F12 N8 O12 P2 -","1","0.5","","Cruz, Carla; Delgado, Rita; Drew, Michael G. B.; F�lix, V�tor","Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor","Organic & Biomolecular Chemistry","2004","2","20","2911","2918","10.1039/b412059k","","","0.71073","MoKα","","0.1278","0.1101","","","0.2736","0.2874","","","","","","1.055","","","","has coordinates,has disorder","180321","2020-10-21","18:00:00",""
"7153542","8.04","0.01","28.57","0.029","13.42","0.015","90","","93.41","0.1","90","","3077","6","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C56 H78 F12 N8 O12 P2 -","- C56 H78 F12 N8 O12 P2 -","- C112 H156 F24 N16 O24 P4 -","2","0.5","","Cruz, Carla; Delgado, Rita; Drew, Michael G. B.; F�lix, V�tor","Supramolecular aggregates between carboxylate anions and an octaaza macrocyclic receptor","Organic & Biomolecular Chemistry","2004","2","20","2911","2918","10.1039/b412059k","","","0.71073","MoKα","","0.1522","0.0956","","","0.1806","0.2043","","","","","","1.077","","","","has coordinates","180321","2020-10-21","18:00:00",""
"7153543","10.785","0.002","14.2","0.003","17.438","0.004","94.857","0.004","102.039","0.005","90.567","0.004","2601.4","0.9","203.1","","","","","","","","","","","3","P -1","-P 1","2","","","","- C68 H62 N4 -","- C68 H62 N4 -","- C136 H124 N8 -","2","1","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","","0.07","","","","0.199","","","","","","1.001","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153544","30.864","0.008","11.647","0.002","18.709","0.005","90","","117.893","0.005","90","","5944","2","123","2","123","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C78 H60 N4 O2 Zn -","- C76 H52 N4 Zn -","- C304 H208 N16 Zn4 -","4","0.5","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","0.1429","0.1022","","","0.295","0.3209","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153545","12.6459","0.0005","15.6657","0.0008","16.2904","0.001","92.816","0.009","111.014","0.01","109.678","0.008","2783.2","0.4","203.1","","","","","","","","","","","5","P -1","-P 1","2","","","","- C74 H42 Cl3 N5 Zn -","- C74 H42 Cl3 N5 Zn -","- C148 H84 Cl6 N10 Zn2 -","2","1","","Shen, Zhen; Uno, Hidemitsu; Shimizu, Yusuke; Ono, Noboru","Controlling conformations and physical properties of meso-tetrakis(phenylethynyl)porphyrins by ring fusion: synthesis, properties and structural characterizations","Organic & Biomolecular Chemistry","2004","2","23","3442","3447","10.1039/b412688b","","","0.7107","MoKa","","","0.059","","","","0.18","","","","","","1.002","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153546","7.7959","0.0009","20.639","0.003","11.0953","0.0014","90","","90","","90","","1785.2","0.4","293","2","293","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C24 H18 O2 -","- C24 H18 O2 -","- C96 H72 O8 -","4","1","","Pathak, Rakhi; Vandayar, Kantharuby; van Otterlo, Willem A. L.; Michael, Joseph P.; Fernandes, Manuel A.; de Koning, Charles B.","The synthesis of angularly fused polyaromatic compounds by using a light-assisted, base-mediated cyclization reaction","Organic & Biomolecular Chemistry","2004","2","23","3504","3509","10.1039/b412932f","","","0.71073","MoKα","","0.0756","0.0464","","","0.1268","0.1415","","","","","","1.031","","","","has coordinates","180321","2020-10-21","18:00:00",""