# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T20:40:56+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 = 11 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
"7152758","16.6672","0.0007","33.1447","0.0012","8.1871","0.0003","90","","90","","90","","4522.8","0.3","173","2","173","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C43 H48 Cl2 N2 O16 -","- C43 H48 Cl2 N2 O16 -","- C172 H192 Cl8 N8 O64 -","4","1","","Kleeblatt, Dennis; Siyo, Baraa; Hein, Martin; Iaroshenko, Viktor O.; Iqbal, Jamshed; Villinger, Alexander; Langer, Peter","Synthesis of N,N'-diglycosylated isoindigos.","Organic & biomolecular chemistry","2013","11","6","886","895","10.1039/c2ob25866h","","","0.71073","MoKα","","0.0821","0.0516","","","0.1196","0.1307","","","","","","1.067","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152759","10.399","0.003","11.235","0.003","13.089","0.003","107.753","0.019","101.4","0.02","110.87","0.02","1277.7","0.7","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H22 O7 S -","- C31 H22 O7 S -","- C62 H44 O14 S2 -","2","1","","Ahadi, Somayeh; Zolghadr, Mahdi; Khavasi, Hamid Reza; Bazgir, Ayoob","A diastereoselective synthesis of pyrano fused coumarins via organocatalytic three-component reaction.","Organic & biomolecular chemistry","2013","11","2","279","286","10.1039/c2ob26203g","","","0.71073","MoKα","","0.2709","0.1168","","","0.2262","0.2969","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152760","21.7506","0.0012","10.3408","0.0006","14.2419","0.0008","90","","124.719","0.001","90","","2632.9","0.3","120","","120","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","4-cyclopropyl-3-phenyl-1H-isochromen-1-one","4-cyclopropyl-3-phenyl-1H-isochromen-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.0487","0.0389","","","0.1094","0.117","","","","","","1.036","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152761","13.3582","0.0007","14.6219","0.0008","7.6852","0.0004","90","","90.502","0.002","90","","1501.03","0.14","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyclopropyl-3-(3-trifluoromethylphenyl-1H-isochromen-1-one","4-cyclopropyl-3-(3-trifluoromethylphenyl-1H-isochromen-1-one","","- C19 H13 F3 O2 -","- C19 H13 F3 O2 -","- C76 H52 F12 O8 -","4","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.0881","0.0754","","","0.1969","0.2099","","","","","","1.086","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152762","8.5382","0.0007","9.1292","0.0008","35.608","0.003","87.43","0.002","86.668","0.002","75.652","0.002","2683.1","0.4","120","","120","","","","","","","","","3","P -1","-P 1","2","3-cyclopropyl-4-phenyl-1H-isochromen-1-one","3-cyclopropyl-4-phenyl-1H-isochromen-1-one","","- C18 H14 O2 -","- C18 H14 O2 -","- C144 H112 O16 -","8","4","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","x-ray","0.71073","MoKα","K-L~3~","0.1498","0.0591","","","0.0987","0.1136","","","","","","0.931","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152763","8.6979","0.0003","16.6842","0.0005","10.4505","0.0003","90","","113.293","0.001","90","","1392.94","0.08","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-cyclopropyl-2-methyl-3-phenylisoquinolin-1(2H)-one","4-cyclopropyl-2-methyl-3-phenylisoquinolin-1(2H)-one","","- C19 H17 N O -","- C19 H17 N O -","- C76 H68 N4 O4 -","4","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","","0.71073","MoKα","","0.0558","0.046","","","0.1237","0.1353","","","","","","1.063","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152764","7.9056","0.0004","8.8734","0.0005","9.7298","0.0005","96.304","0.002","100.043","0.002","108.11","0.002","628.9","0.06","120","","120","","","","","","","","","4","P -1","-P 1","2","4-cyclopropyl-2-methyl-3-(n-propyl)-isoquinolin-1(2H)-one","4-cyclopropyl-2-methyl-3-(n-propyl)-isoquinolin-1(2H)-one","","- C16 H19 N O -","- C16 H19 N O -","- C32 H38 N2 O2 -","2","1","","Deponti, Monica; Kozhushkov, Sergei I.; Yufit, Dmitry S.; Ackermann, Lutz","Ruthenium-catalyzed C-H/O-H and C-H/N-H bond functionalizations: oxidative annulations of cyclopropyl-substituted alkynes.","Organic & biomolecular chemistry","2013","11","1","142","148","10.1039/c2ob26250a","","","0.71073","MoKα","","0.0885","0.0582","","","0.1463","0.1688","","","","","","0.98","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152765","12.849","0.0005","13.1603","0.0005","17.5483","0.0006","73.847","0.001","68.57","0.001","65.921","0.001","2492.57","0.16","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C46 H76 Cl2 O7 P2 Pd -","- C46 H76 Cl2 O7 P2 Pd -","- C92 H152 Cl4 O14 P4 Pd2 -","2","1","","Li, Pengbin; Lü, Bo; Fu, Chunling; Ma, Shengming","Pd-catalyzed Suzuki coupling reaction of chloroalkylidene-β-lactones with LB-Phos as the ligand.","Organic & biomolecular chemistry","2013","11","1","98","109","10.1039/c2ob26365c","","","0.71073","MoKα","","0.0323","0.029","","","0.0839","0.0881","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152766","9.3629","0.0006","16.608","0.0008","9.8929","0.0005","90","","115.25","0.007","90","","1391.36","0.15","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 O2 S -","- C16 H14 O2 S -","- C64 H56 O8 S4 -","4","2","","Li, Pengbin; Lü, Bo; Fu, Chunling; Ma, Shengming","Pd-catalyzed Suzuki coupling reaction of chloroalkylidene-β-lactones with LB-Phos as the ligand.","Organic & biomolecular chemistry","2013","11","1","98","109","10.1039/c2ob26365c","","","1.54184","CuKα","","0.088","0.0685","","","0.1807","0.2043","","","","","","1.045","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152767","4.9166","0.0006","13.1195","0.0013","42.105","0.004","90","","90","","90","","2715.9","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C26 H36 N6 O6 -","- C26 H36 N6 O6 -","- C104 H144 N24 O24 -","4","1","","Pehere, Ashok D.; Sumby, Christopher J.; Abell, Andrew D.","New cylindrical peptide assemblies defined by extended parallel β-sheets.","Organic & biomolecular chemistry","2013","11","3","425","429","10.1039/c2ob26637g","","","0.71073","MoKα","","0.1602","0.1039","","","0.2379","0.2792","","","","","","1.034","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152768","10.4429","0.0003","7.4627","0.0002","14.1231","0.0004","90","","93.253","0.002","90","","1098.87","0.05","298","2","298","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C26 H30 N2 -","- C26 H30 N2 -","- C52 H60 N4 -","2","1","","Ribelles, Pascual; Sridharan, Vellaisamy; Villacampa, Mercedes; Ramos, Ma Teresa; Menéndez, J Carlos","Diastereoselective, multicomponent access to trans-2-aryl-4-arylamino-1,2,3,4-tetrahydroquinolines via an AA'BC sequential four-component reaction and their application to 2-arylquinoline synthesis.","Organic & biomolecular chemistry","2013","11","4","569","579","10.1039/c2ob26754c","","","1.54178","CuKα","","0.0338","0.0321","","","0.0837","0.0855","","","","","","1.047","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152769","15.4056","0.0004","6.8529","0.0002","15.8005","0.0004","90","","116.019","0.001","90","","1499.04","0.07","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 F N2 O5 -","- C9 H11 F N2 O5 -","- C54 H66 F6 N12 O30 -","6","3","","Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.","Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.","Organic & biomolecular chemistry","2013","11","5","746","757","10.1039/c2ob26762d","","","0.71073","MoKα","","0.0376","0.0342","","","0.0861","0.0882","","","","","","1.067","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152770","6.3007","0.0003","7.3372","0.0003","10.8989","0.0004","90","","92.277","0.002","90","","503.45","0.04","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C9 H11 F N2 O5 -","- C9 H11 F N2 O5 -","- C18 H22 F2 N4 O10 -","2","1","","Erande, Namrata; Gunjal, Anita D.; Fernandes, Moneesha; Gonnade, Rajesh; Kumar, Vaijayanti A.","Synthesis and structural studies of S-type/N-type-locked/frozen nucleoside analogues and their incorporation in RNA-selective, nuclease resistant 2'-5' linked oligonucleotides.","Organic & biomolecular chemistry","2013","11","5","746","757","10.1039/c2ob26762d","","","0.71073","MoKα","","0.0242","0.0239","","","0.0643","0.0645","","","","","","1.054","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152771","10.264","0.0002","10.754","0.0002","13.366","0.0003","67.311","0.001","70.995","0.001","82.495","0.001","1286.94","0.05","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 O2 -","- C14 H24 O2 -","- C56 H96 O8 -","4","2","","Lyall, Catherine L.; Uosis-Martin, Mario; Lowe, John P.; Mahon, Mary F.; Pantoş, G Dan; Lewis, Simon E.","Aliphatic C-H activation with aluminium trichloride-acetyl chloride: expanding the scope of the Baddeley reaction for the functionalisation of saturated hydrocarbons.","Organic & biomolecular chemistry","2013","11","9","1468","1475","10.1039/c2ob26765a","","","0.71073","MoKα","","0.0786","0.0488","","","0.1042","0.1193","","","","","","1.027","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152772","10.508","0.0006","11.686","0.0006","16.647","0.001","81.989","0.002","90.159","0.003","78.388","0.003","1981.81","0.19","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H26 N4 O4 -","- C20 H26 N4 O4 -","- C80 H104 N16 O16 -","4","2","","Lyall, Catherine L.; Uosis-Martin, Mario; Lowe, John P.; Mahon, Mary F.; Pantoş, G Dan; Lewis, Simon E.","Aliphatic C-H activation with aluminium trichloride-acetyl chloride: expanding the scope of the Baddeley reaction for the functionalisation of saturated hydrocarbons.","Organic & biomolecular chemistry","2013","11","9","1468","1475","10.1039/c2ob26765a","","","0.71073","MoKα","","0.2588","0.1792","","","0.3768","0.4211","","","","","","1.118","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152773","13.196","0.005","13.001","0.004","13.423","0.005","90","","119.437","0.004","90","","2005.6","1.2","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C26 H19 Cl O4 -","- C26 H19 Cl O4 -","- C104 H76 Cl4 O16 -","4","1","","Jian, Teng-Yue; Chen, Xiang-Yu; Sun, Li-Hui; Ye, Song","N-heterocyclic carbene-catalyzed [4 + 2] cycloaddition of ketenes and 3-aroylcoumarins: highly enantioselective synthesis of dihydrocoumarin-fused dihydropyranones.","Organic & biomolecular chemistry","2013","11","1","158","163","10.1039/c2ob26804c","","","0.71073","MoKα","","0.1441","0.0935","","","0.1489","0.1657","","","","","","1.171","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152774","7.757","0.005","6.483","0.004","9.907","0.007","90","","92.808","0.012","90","","497.6","0.6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","gamma Phe","gamma_Phe","","- C11 H15 N O2 -","- C11 H15 N O2 -","- C22 H30 N2 O4 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.1153","0.0704","","","0.1626","0.189","","","","","","0.947","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152775","12.866","0.015","17.403","0.019","13.962","0.016","90","","107.22","0.03","90","","2986","6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","alpha-gamma peptide","alpha-gamma peptide","","- C51 H72 N8 O8 -","- C51 H72 N8 O8 -","- C102 H144 N16 O16 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.2345","0.0813","","","0.1855","0.2369","","","","","","0.733","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152776","9.354","0.01","12.179","0.013","13.95","0.015","68.89","0.03","85.74","0.03","71.36","0.03","1403","3","100","2","100","2","","","101.325","","","","synthesis","4","P 1","P 1","1","alpha-gamma peptide","alpha-gamma peptide","","- C48 H66 N8 O9 -","- C48 H66 N8 O9 -","- C48 H66 N8 O9 -","1","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.1364","0.0823","","","0.2342","0.2723","","","","","","0.771","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152777","11.218","0.017","14.58","0.02","15.75","0.02","90","","100.06","0.03","90","","2536","6","100","2","100","2","","","101.325","","","","synthesis","4","P 1 21 1","P 2yb","4","alpha-gamma peptide","alpha-gamma peptide","","- C47 H64 N8 O10 -","- C47 H64 N8 O10 -","- C94 H128 N16 O20 -","2","1","","Jadhav, Sandip V.; Bandyopadhyay, Anupam; Gopi, Hosahudya N.","Protein secondary structure mimetics: crystal conformations of α/γ4-hybrid peptide12-helices with proteinogenic side chains and their analogy with α- and β-peptide helices.","Organic & biomolecular chemistry","2013","11","3","509","514","10.1039/c2ob26805a","","","0.71073","MoKα","","0.2023","0.0824","","","0.1713","0.2352","","","","","","0.909","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152778","15.6275","0.0012","14.9143","0.0011","20.234","0.0015","90","","90","","90","","4716","0.6","120","2","120","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C8.5 H11.5 Cl1.5 N5 O -","- C8.5 H11.5 Cl1.5 N5 O -","- C136 H184 Cl24 N80 O16 -","16","2","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.038","0.0353","","","0.0941","0.0967","","","","","","1.03","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152779","8.9487","0.0006","16.7979","0.0011","13.042","0.0008","90","","97.593","0.001","90","","1943.3","0.2","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 N5 O1.5 -","- C8 H11 N5 O1.5 -","- C64 H88 N40 O12 -","8","2","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.0446","0.0423","","","0.1119","0.1138","","","","","","1.061","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152780","8.9942","0.0005","17.9689","0.0011","12.8636","0.0008","90","","99.884","0.001","90","","2048.1","0.2","90","2","90","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 Ca0.5 Cl N10 O2 -","- C16 H22 Ca0.5 Cl N10 O2 -","- C64 H88 Ca2 Cl4 N40 O8 -","4","1","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.035","0.0304","","","0.0753","0.078","","","","","","1.05","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152781","35.482","0.004","10.0503","0.0011","35.888","0.004","90","","108.396","0.001","90","","12144","2","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C60 H69 B N20 Na O5 -","- C60 H69 B N20 Na O5 -","- C480 H552 B8 N160 Na8 O40 -","8","1","","Inui, Yuji; Shiro, Motoo; Fukuzumi, Shunichi; Kojima, Takahiko","Quartet formation of a guanine derivative with an isopropyl group: crystal structures of ""naked"" G-quartets and thermodynamics of G-quartet formation.","Organic & biomolecular chemistry","2013","11","5","758","764","10.1039/c2ob26877a","","","0.71073","MoKα","","0.1615","0.1217","","","0.3335","0.3742","","","","","","1.069","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152782","6.6023","0.0012","6.6337","0.0012","37.831","0.006","94.504","0.015","90.801","0.014","113.293","0.017","1515.3","0.5","293","2","293.15","","","","","","","","","3","P 1","P 1","1","","","","- C32 H52 O8 -","- C32 H52 O8 -","- C64 H104 O16 -","2","2","","Guo, Xiurong; Xin, Guang; He, Shiliang; Wang, Yanyan; Huang, Baozhan; Zhao, Hang; Xing, Zhihua; Chen, Qingming; Huang, Wen; He, Yang","Novel organic gelators based on pentose derivatized diosgenyl saponins.","Organic & biomolecular chemistry","2013","11","5","821","827","10.1039/c2ob26898a","","","0.7107","MoKα","","0.0686","0.046","","","0.093","0.1051","","","","","","1.066","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152783","9.2201","0.0004","5.4993","0.0003","14.8584","0.0009","90","","93.833","0.003","90","","751.7","0.07","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H10 Br N O4 -","- C17 H10 Br N O4 -","- C34 H20 Br2 N2 O8 -","2","1","","Das, Utpal; Tsai, Yi-Ling; Lin, Wenwei","An efficient organocatalytic enantioselective synthesis of spironitrocyclopropanes.","Organic & biomolecular chemistry","2013","11","1","44","47","10.1039/c2ob26943k","","","0.71073","MoKα","","0.0451","0.0299","","","0.0564","0.0825","","","","","","0.964","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152784","8.8074","0.0011","9.7518","0.0015","9.7363","0.0014","90","","93.785","0.005","90","","834.4","0.2","200","2","200","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H12 Br N O4 -","- C18 H12 Br N O4 -","- C36 H24 Br2 N2 O8 -","2","1","","Das, Utpal; Tsai, Yi-Ling; Lin, Wenwei","An efficient organocatalytic enantioselective synthesis of spironitrocyclopropanes.","Organic & biomolecular chemistry","2013","11","1","44","47","10.1039/c2ob26943k","","","0.71073","MoKα","","0.0523","0.035","","","0.067","0.0731","","","","","","1.003","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152785","9.5643","0.0002","9.7254","0.0002","17.4889","0.0004","89.925","0.001","80.209","0.001","62.908","0.001","1421.79","0.05","100","","100","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C37 H27 Br N2 -","- C37 H27 Br N2 -","- C74 H54 Br2 N4 -","2","1","","Elie, Claude-Rosny; Hébert, Audrey; Charbonneau, Mathieu; Haiun, Adam; Schmitzer, Andreea R.","Benzimidazolium-based synthetic chloride and calcium transporters in bacterial membranes.","Organic & biomolecular chemistry","2013","11","6","923","928","10.1039/c2ob26966j","","","1.54178","CuKα","","0.0568","0.0525","","","0.1437","0.1526","","","","","","1.058","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152786","17.266","0.014","8.92","0.007","16.576","0.013","90","","97.576","0.01","90","","2531","3","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C22 H25 Cl2 I N3 O3 P -","- C22 H25 Cl2 I N3 O3 P -","- C88 H100 Cl8 I4 N12 O12 P4 -","4","1","","Qiu, Guanyinsheng; Lu, Yuan; Wu, Jie","A concise synthesis of 4-imino-3,4-dihydroquinazolin-2-ylphosphonates via a palladium-catalyzed reaction of carbodiimide, isocyanide, and phosphite.","Organic & biomolecular chemistry","2013","11","5","798","802","10.1039/c2ob26979a","","","0.71073","MoKα","","0.0736","0.0529","","","0.1384","0.1493","","","","","","0.951","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152787","23.116","0.004","12.7605","0.0019","21.907","0.003","90","","114.554","0.002","90","","5877.6","1.6","200","2","200","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C29 H36 Br O3 P -","- C29 H36 Br O3 P -","- C232 H288 Br8 O24 P8 -","8","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.1238","0.0587","","","0.1414","0.1547","","","","","","0.886","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152788","7.8383","0.0003","10.9083","0.0004","12.0674","0.0006","112.907","0.002","101.682","0.002","94.195","0.003","917.43","0.07","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H13 Br O3 -","- C24 H13 Br O3 -","- C48 H26 Br2 O6 -","2","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.0917","0.0589","","","0.1655","0.1981","","","","","","1.111","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152789","9.4027","0.0015","13.097","0.002","24.592","0.004","90","","90","","90","","3028.4","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H45 O5 P S -","- C29 H49 O5 P S -","- C116 H196 O20 P4 S4 -","4","1","","Wu, Zong-Ze; Jang, Yeong-Jiunn; Lee, Chia-Jui; Lee, Yen-Te; Lin, Wenwei","A versatile and practical method for regioselective synthesis of polysubstituted furanonaphthoquinones.","Organic & biomolecular chemistry","2013","11","5","828","834","10.1039/c2ob26986d","","","0.71073","MoKα","","0.0928","0.0627","","","0.1554","0.1769","","","","","","1.023","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152790","17.877","0.006","9.516","0.003","10.966","0.003","90","","91.469","0.005","90","","1864.9","1","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H16 Cl N5 O2 -","- C20 H16 Cl N5 O2 -","- C80 H64 Cl4 N20 O8 -","4","1","","Niu, Teng-Fei; Lv, Mei-Fang; Wang, Liang; Yi, Wen-Bin; Cai, Chun","Chemoselective preparation of 1,2,3-triazole-isoxazole bisfunctional derivatives and their application in peptidomimetic synthesis.","Organic & biomolecular chemistry","2013","11","6","1040","1048","10.1039/c2ob26990b","","","0.71073","MoKα","","0.0774","0.0582","","","0.1813","0.2089","","","","","","1.025","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152791","6.046","0.002","12.665","0.004","12.845","0.004","76.57","0.008","81.084","0.007","83.652","0.007","942.3","0.5","298","2","298","2","","","","","","","","5","P 1","P 1","1","","","","- C38 H42 N2 O10 S2 -","- C38 H42 N2 O10 S2 -","- C38 H42 N2 O10 S2 -","1","1","","Ganesan, Muthupandian; Salunke, Rahul Vilas; Singh, Nem; Ramesh, Namakkal G.","Protecting group directed diversity during Mitsunobu cyclization of a carbohydrate derived diamino triol. Synthesis of novel bridged bicyclic and six-membered iminocyclitols.","Organic & biomolecular chemistry","2013","11","4","599","611","10.1039/c2ob27000e","","","0.71073","MoKα","","0.1519","0.0973","","","0.198","0.2299","","","","","","1.114","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152792","10.043","0.003","8.99","0.002","25.768","0.006","90","","96.651","0.005","90","","2310.8","1","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H24 N2 O6 S2 -","- C20 H24 N2 O6 S2 -","- C80 H96 N8 O24 S8 -","4","2","","Ganesan, Muthupandian; Salunke, Rahul Vilas; Singh, Nem; Ramesh, Namakkal G.","Protecting group directed diversity during Mitsunobu cyclization of a carbohydrate derived diamino triol. Synthesis of novel bridged bicyclic and six-membered iminocyclitols.","Organic & biomolecular chemistry","2013","11","4","599","611","10.1039/c2ob27000e","","","0.71073","MoKα","","0.1121","0.0846","","","0.2269","0.2399","","","","","","0.98","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152793","8.5901","0.0008","13.7587","0.0013","9.4392","0.0009","90","","112.242","0.002","90","","1032.6","0.17","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H20 Cl3 N O3 -","- C22 H20 Cl3 N O3 -","- C44 H40 Cl6 N2 O6 -","2","1","","Zhang, Xuefeng; Jiang, Xiaolong; Ding, Chunyong; Yao, Qizheng; Zhang, Ao","Unexpected N-glycosidation reaction of glycals with 1-amino-anthracene: structure revision and application to the synthesis of new analogues of marmycin A.","Organic & biomolecular chemistry","2013","11","8","1383","1389","10.1039/c2ob27020j","","","0.71073","MoKα","","0.0322","0.0315","","","0.0814","0.082","","","","","","1.052","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152794","30.156","0.007","8.795","0.002","11.162","0.003","90","","100.061","0.004","90","","2914.9","1.2","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H16 O2 -","- C18 H16 O2 -","- C144 H128 O16 -","8","2","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0658","0.0492","","","0.1479","0.1572","","","","","","1.046","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152795","9.0702","0.0012","15.872","0.002","19.619","0.003","90","","90","","90","","2824.4","0.7","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H13 F O2 -","- C17 H13 F O2 -","- C136 H104 F8 O16 -","8","1","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0669","0.0472","","","0.1367","0.1478","","","","","","1.091","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152796","11.8628","0.0012","5.9193","0.0006","12.0256","0.0012","90","","96.191","0.001","90","","839.51","0.15","220","2","220","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H17 I O3 -","- C19 H17 I O3 -","- C38 H34 I2 O6 -","2","1","","Yang, Yan; Gao, Meng; Shu, Wen-Ming; Wu, Liu-Ming; Zhang, Dong-Xue; Wu, An-Xin","Synthesis of α-iodoketals from methyl ketones via sustainable and orthogonal tandem catalysis.","Organic & biomolecular chemistry","2013","11","7","1226","1233","10.1039/c2ob27028e","","","0.71073","MoKα","","0.0245","0.0223","","","0.069","0.0836","","","","","","1.215","","","","has coordinates,has disorder","180313","2020-10-21","18:00:00",""
"7152797","18.958","0.004","21.804","0.005","20.21","0.005","90","","91.004","0.004","90","","8353","3","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C76 H94 N2 O29 -","- C76 H94 N2 O29 -","- C304 H376 N8 O116 -","4","1","","Chen, Lei; Li, Zhiming; Chen, Zhenxia; Hou, Jun-Li","Pillar[5]arenes with an introverted amino group: a hydrogen bonding tuning effect.","Organic & biomolecular chemistry","2013","11","2","248","251","10.1039/c2ob27044g","","","0.71073","MoKα","","0.2456","0.1409","","","0.369","0.4131","","","","","","1.076","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152798","8.0135","0.0007","15.0651","0.0013","22.7939","0.0019","90","","90.291","0.001","90","","2751.7","0.4","90","","90","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H13 F3 N4 O2 -","- C14 H13 F3 N4 O2 -","- C112 H104 F24 N32 O16 -","8","2","","Kato, Jun-Ya; Aoyama, Hiroshi; Yokomatsu, Tsutomu","Development of a new cascade reaction for convergent synthesis of pyrazolo[1,5-a]quinoline derivatives under transition-metal-free conditions.","Organic & biomolecular chemistry","2013","11","7","1171","1178","10.1039/c2ob27050a","","","0.71073","MoKα","","0.0501","0.04","","","0.0967","0.1018","","","","","","1.034","","","","has coordinates","180313","2020-10-21","18:00:00",""
"7152799","15.501","0.003","15.08","0.003","11.907","0.003","90","","102.794","0.003","90","","2714.2","1","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H13 Cl N2 O2 -","- C14 H13 Cl N2 O2 -","- C112 H104 Cl8 N16 O16 -","8","2","","Xin, Xiaoqing; Huang, Peng; Xiang, Dexuan; Zhang, Rui; Zhao, Fengyu; Zhang, Ning; Dong, Dewen","[5C + 1N] Annulation of 2,4-pentadienenitriles with hydroxylamine: a synthetic route to multi-substituted 2-aminopyridines.","Organic & biomolecular chemistry","2013","11","6","1001","1006","10.1039/c2ob27053f","","","0.71073","MoKα","","0.0858","0.0537","","","0.1249","0.1452","","","","","","1.033","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152800","12.3417","0.0011","12.3417","0.0011","28.361","0.005","90","","90","","120","","3741.1","0.8","293","2","293","2","","","","","","","","5","P 65","P 65","170","","","","- C24 H31 N3 O4 S -","- C24 H31 N3 O4 S -","- C144 H186 N18 O24 S6 -","6","1","","Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A.","Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue.","Organic & biomolecular chemistry","2013","11","6","975","983","10.1039/c2ob27058g","","","0.71073","MoKα","","0.1571","0.0533","","","0.0689","0.0857","","","","","","0.885","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152801","8.9964","0.0004","11.1739","0.0004","14.3314","0.0006","98.212","0.003","97.8","0.004","91.098","0.004","1411.61","0.1","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C27 H36 N4 O5 S -","- C27 H36 N4 O5 S -","- C54 H72 N8 O10 S2 -","2","2","","Grygorenko, Oleksandr O.; Zhersh, Sergey; Oliinyk, Bohdan V.; Shishkin, Oleg V.; Tolmachev, Andrey A.","Conformational behaviour of peptides containing a 2-pyrrolidinemethanesulfonic acid (2PyMS) residue.","Organic & biomolecular chemistry","2013","11","6","975","983","10.1039/c2ob27058g","","","0.71073","MoKα","","0.1071","0.0533","","","0.1174","0.1384","","","","","","0.932","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152802","15.4735","0.0009","5.6","0.0003","16.5182","0.001","90","","117.181","0.003","90","","1273.26","0.13","296","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","(E)-1,2-diphenyl-1,2-bis(3-(trifluoromethyl)p","(E)-1,2-diphenyl-1,2-bis(3-(trifluoromethyl)phenylselanyl)ethene","","- C28 H18 F6 Se2 -","- C28 H18 F6 Se2 -","- C56 H36 F12 Se4 -","2","0.5","","Sartori, Glaubia; Neto, José S S; Pesarico, Ana Paula; Back, Davi F.; Nogueira, Cristina W.; Zeni, Gilson","Bis-vinyl selenides obtained via iron(iii) catalyzed addition of PhSeSePh to alkynes: synthesis and antinociceptive activity.","Organic & biomolecular chemistry","2013","11","7","1199","1208","10.1039/c2ob27064a","","","0.71073","MoKα","","0.106","0.0456","","","0.0884","0.1086","","","","","","1.001","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152803","10.34","0.003","9.733","0.003","18.073","0.005","90","","106.331","0.005","90","","1745.5","0.9","296","2","296","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","(S,E)-ethyl 4-(tert-butoxycarbonylamino)-6-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","2","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0431","0.0341","","","0.0804","0.0896","","","","","","0.985","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152804","10.153","0.003","10.273","0.003","16.191","0.005","90","","90","","90","","1688.7","0.9","200","2","200","2","","","101.325","","","","Synthesis","4","P 21 21 21","P 2ac 2ab","19","Boc-dgI-OEt","(4S,5S,E)-ethyl 4-(tert-butoxycarbonylamino)-5-methylhept-2-enoate","","- C15 H27 N O4 -","- C15 H27 N O4 -","- C60 H108 N4 O16 -","4","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0455","0.0378","","","0.0912","0.0961","","","","","","1.023","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152805","11.306","0.006","31.857","0.016","5.353","0.003","90","","90","","90","","1928","1.8","100","2","100","2","","","101.325","","","","synthesis","4","P 21 21 2","P 2 2ab","18","","Boc-gL(b-CH2NO2)-COOEt","","- C16 H30 N2 O6 -","- C16 H30 N2 O6 -","- C64 H120 N8 O24 -","4","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.1599","0.0931","","","0.232","0.266","","","","","","1.168","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152806","11.226","0.008","7.133","0.005","12.018","0.009","90","","110.948","0.015","90","","898.7","1.1","100","2","100","2","","","101.325","","","","Synthesis","4","P 1 21 1","P 2yb","4","","Boc-gI(b-CH2NO2)-COOH","","- C14 H26 N2 O6 -","- C14 H26 N2 O6 -","- C28 H52 N4 O12 -","2","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.0614","0.0441","","","0.1012","0.1106","","","","","","1.037","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152807","13.503","0.009","13.503","0.009","14.005","0.01","90","","90","","120","","2211","3","100","2","100","2","","","101.325","","","","Synthesis","4","P 32","P 32","145","","Boc-gV(b-CH2NO2)-gL(b-CH2NO2)-COOEt","","- C24 H44 N4 O9 -","- C24 H44 N4 O9 -","- C72 H132 N12 O27 -","3","1","","Ganesh Kumar, Mothukuri; Mali, Sachitanand M.; Gopi, Hosahudya N.","Synthesis and stereochemical analysis of β-nitromethane substituted γ-amino acids and peptides.","Organic & biomolecular chemistry","2013","11","5","803","813","10.1039/c2ob27070f","","x-ray","0.71073","MoKα","","0.2453","0.0865","","","0.2072","0.2952","","","","","","0.873","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152808","6.7348","0.0018","28.345","0.007","9.559","0.003","90","","97.64","0.007","90","","1808.6","0.9","298","1","298","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H20 N2 O6 -","- C18 H20 N2 O6 -","- C72 H80 N8 O24 -","4","1","","Mancebo-Aracil, Juan; Nájera, Carmen; Sansano, José M","Microwave-assisted multicomponent diastereoselective 1,3-dipolar cycloaddition of ethyl glyoxylate derived azomethine ylides.","Organic & biomolecular chemistry","2013","11","4","662","675","10.1039/c2ob27072b","","","0.71073","MoKα","","0.201","0.0807","","","0.1768","0.2188","","","","","","1.08","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152809","8.258","0.003","11.699","0.004","23.879","0.007","90","","90","","90","","2307","1.3","296","2","296","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H22 Br Cl N2 O2 -","- C27 H22 Br Cl N2 O2 -","- C108 H88 Br4 Cl4 N8 O8 -","4","1","","Liang, Jinyan; Chen, Qiao; Liu, Luping; Jiang, Xianxing; Wang, Rui","An organocatalytic asymmetric double Michael cascade reaction of unsaturated ketones and unsaturated pyrazolones: highly efficient synthesis of spiropyrazolone derivatives.","Organic & biomolecular chemistry","2013","11","9","1441","1445","10.1039/c2ob27095a","","","0.71073","MoKα","","0.0904","0.0407","","","0.073","0.0868","","","","","","0.985","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152810","23.896","0.007","23.896","0.007","30.268","0.009","90","","90","","120","","14968","8","296","2","296","2","","","","","","","","6","R -3 :H","-R 3","148","","","","- C112 H102 Cl4 N6 O6 S6 -","- C112 H102 Cl4 N6 O6 S6 -","- C672 H612 Cl24 N36 O36 S36 -","6","0.333333","","Sharma, Sanyog; Hundal, Maninder Singh; Hundal, Geeta","Dual channel chromo/fluorogenic chemosensors for cyanide and fluoride ions‒an example of in situ acid catalysis of the Strecker reaction for cyanide ion chemodosimetry.","Organic & biomolecular chemistry","2013","11","4","654","661","10.1039/c2ob27096j","","","0.71069","MoKα","","0.126","0.0683","","","0.2042","0.2613","","","","","","0.996","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152811","15.939","0.003","5.4586","0.0009","16.28","0.003","90","","96.807","0.003","90","","1406.5","0.4","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 N3 O3 S -","- C13 H17 N3 O3 S -","- C52 H68 N12 O12 S4 -","4","1","","García-Valverde, María; Marcaccini, Stefano; González-Ortega, Alfonso; Rodríguez, Francisco Javier; Rojo, Josefa; Torroba, Tomás","Complementary regioselectivity in the synthesis of iminohydantoins: remarkable effect of amide substitution on the cyclization.","Organic & biomolecular chemistry","2013","11","5","721","725","10.1039/c2ob27098f","","","0.71073","MoKα","","0.0663","0.0475","","","0.1129","0.128","","","","","","1.049","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152812","13.1137","0.0014","6.2475","0.0007","14.2342","0.0016","90","","113.906","0.002","90","","1066.1","0.2","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H27 N3 O3 S -","- C23 H27 N3 O3 S -","- C46 H54 N6 O6 S2 -","2","1","","García-Valverde, María; Marcaccini, Stefano; González-Ortega, Alfonso; Rodríguez, Francisco Javier; Rojo, Josefa; Torroba, Tomás","Complementary regioselectivity in the synthesis of iminohydantoins: remarkable effect of amide substitution on the cyclization.","Organic & biomolecular chemistry","2013","11","5","721","725","10.1039/c2ob27098f","","","0.71073","MoKα","","0.0774","0.0722","","","0.1506","0.1536","","","","","","1.008","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152813","8.6128","0.0011","9.9153","0.0012","12.1573","0.0016","104.434","0.002","100.523","0.003","108.276","0.002","915.5","0.2","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C17 H16 Br2 N2 O5 -","- C17 H16 Br2 N2 O5 -","- C34 H32 Br4 N4 O10 -","2","1","","Li, Wenjun; Huang, Jiayao; Wang, Jian","Organocatalytic conjugate addition promoted by multi-hydrogen-bond cooperation: access to chiral 2-amino-3-nitrile-chromenes.","Organic & biomolecular chemistry","2013","11","3","400","406","10.1039/c2ob27102h","","","0.71073","MoKα","","0.0345","0.0278","","","0.0711","0.0844","","","","","","1.113","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152814","6.248","0.002","14.246","0.005","32.517","0.01","90","","90","","90","","2894.3","1.6","296","2","296.15","","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C32 H40 O8 -","- C32 H40 O8 -","- C128 H160 O32 -","4","1","","Song, Qiu-Yan; Jiang, Kan; Zhao, Qian-Qian; Gao, Kun; Jin, Xiao-Jie; Yao, Xiao-Jun","Eleven new highly oxygenated triterpenoids from the leaves and stems of Schisandra chinensis.","Organic & biomolecular chemistry","2013","11","7","1251","1258","10.1039/c2ob27115j","","","0.71073","MoKα","","0.0851","0.048","","","0.0923","0.1054","","","","","","0.999","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152815","9.592","0.002","10.08","0.003","11.857","0.003","89.893","0.01","76.026","0.007","80.083","0.008","1094.9","0.5","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H19 Cl N2 O3 -","- C28 H19 Cl N2 O3 -","- C56 H38 Cl2 N4 O6 -","2","1","","Wen, Li-Rong; Sun, Qi-Chang; Zhang, Hai-Liang; Li, Ming","A new rapid multicomponent domino heteroannulation of heterocyclic ketene aminals: solvent-free regioselective synthesis of functionalized benzo[g]imidazo[1,2-a]quinolinediones.","Organic & biomolecular chemistry","2013","11","5","781","786","10.1039/c2ob27137k","","","0.71073","MoKα","","0.0652","0.0587","","","0.123","0.1266","","","","","","1.162","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152816","17.9253","0.0007","5.36599","0.00019","15.7715","0.0005","90","","98.798","0.003","90","","1499.16","0.09","123.01","0.1","123.01","0.1","","","","","","","see text","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H18 O5 -","- C18 H18 O5 -","- C72 H72 O20 -","4","1","","Amslinger, Sabine; Al-Rifai, Nafisah; Winter, Katrin; Wörmann, Kilian; Scholz, Rebekka; Baumeister, Paul; Wild, Martin","Reactivity assessment of chalcones by a kinetic thiol assay.","Organic & biomolecular chemistry","2013","11","4","549","554","10.1039/c2ob27163j","","x-ray","1.54184","CuKα","","0.0402","0.0355","","","0.0916","0.0961","","","","","","1.034","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152817","13.853","0.007","9.965","0.005","15.005","0.008","90","","90.891","0.01","90","","2071.1","1.8","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N2 O3 -","- C25 H22 N2 O3 -","- C100 H88 N8 O12 -","4","1","","Kand, Dnyaneshwar; Kalle, Arunasree Marasanapalli; Talukdar, Pinaki","Chromenoquinoline-based thiol probes: a study on the quencher position for controlling fluorescent Off-On characteristics.","Organic & biomolecular chemistry","2013","11","10","1691","1701","10.1039/c2ob27192c","","","0.71073","MoKα","","0.1228","0.0495","","","0.109","0.1427","","","","","","0.922","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152818","12.72","0.007","18.426","0.01","9.036","0.005","90","","122.238","0.009","90","","1791.4","1.7","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H14 N2 O3 -","- C24 H14 N2 O3 -","- C96 H56 N8 O12 -","4","1","","Kand, Dnyaneshwar; Kalle, Arunasree Marasanapalli; Talukdar, Pinaki","Chromenoquinoline-based thiol probes: a study on the quencher position for controlling fluorescent Off-On characteristics.","Organic & biomolecular chemistry","2013","11","10","1691","1701","10.1039/c2ob27192c","","","0.71073","MoKα","","0.0686","0.0453","","","0.1007","0.1144","","","","","","0.991","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152819","11.0598","0.0008","9.6504","0.0006","12.3144","0.001","90","","112.315","0.004","90","","1215.9","0.16","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H14 N2 O4 -","- C11 H14 N2 O4 -","- C44 H56 N8 O16 -","4","1","","Astolfi, Paola; Charles, Laurence; Gigmes, Didier; Greci, Lucedio; Rizzoli, Corrado; Sorana, Federico; Stipa, Pierluigi","Reactions of nitric oxide and nitrogen dioxide with coenzyme Q: involvement of the isoprenic chain.","Organic & biomolecular chemistry","2013","11","8","1399","1406","10.1039/c2ob27198b","","","1.54178","CuKα","","0.0458","0.0381","","","0.111","0.1224","","","","","","1.081","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152820","19.4982","0.0004","13.338","0.0003","43.2785","0.0011","90","","95.832","0.002","90","","11197.1","0.4","100","","100","","","","","","","","synthesized","7","C 1 c 1","C -2yc","9","","","","- C121 H144.4 Cl2 F6 N9 O10.7 P -","- C121 H144.4 Cl2 F6 N9 O10.7 P -","- C484 H577.6 Cl8 F24 N36 O42.8 P4 -","4","1","","White, Nicholas G.; Beer, Paul D.","A rotaxane host system containing integrated triazole C-H hydrogen bond donors for anion recognition.","Organic & biomolecular chemistry","2013","11","8","1326","1333","10.1039/c2ob27229f","","","0.6889","synchrotron","","0.1293","0.1264","","0.2919","0.2908","0.2919","","","","","","1.0601","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152821","11.7586","0.0005","23.4082","0.0013","23.5471","0.0012","93.401","0.004","98.295","0.004","92.975","0.004","6390.2","0.6","100","","100","","","","","","","","synthesized","5","P -1","-P 1","2","","","","- C116 H129 Cl N10 O10 -","- C116 H129 Cl N10 O10 -","- C232 H258 Cl2 N20 O20 -","2","1","","White, Nicholas G.; Beer, Paul D.","A rotaxane host system containing integrated triazole C-H hydrogen bond donors for anion recognition.","Organic & biomolecular chemistry","2013","11","8","1326","1333","10.1039/c2ob27229f","","","1.1949","synchrotron","","0.1102","0.08","","0.264","0.1947","0.264","","","","","","1.0041","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7152822","9.098","0.003","15.524","0.006","17.674","0.006","90","","90","","90","","2496.2","1.5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C28 H21 Br N2 O3 -","- C28 H21 Br N2 O3 -","- C112 H84 Br4 N8 O12 -","4","1","","Qin, Tian-You; Liao, Wei-Wei; Zhang, Yan-Jing; Zhang, Sean Xiao-An","Asymmetric organocatalytic allylic alkylation of Reissert compounds: a facile access to chiral 1,1-disubstituted 1,2-dihydroisoquinolines.","Organic & biomolecular chemistry","2013","11","6","984","990","10.1039/c2ob27269e","","","0.71073","MoKα","","0.0799","0.0415","","","0.0942","0.1073","","","","","","1.006","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152823","9.801","0.003","10.969","0.003","14.07","0.004","90","","90","","90","","1512.6","0.8","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H12 Br N O3 -","- C16 H12 Br N O3 -","- C64 H48 Br4 N4 O12 -","4","1","","De Fusco, Claudia; Meninno, Sara; Tedesco, Consiglia; Lattanzi, Alessandra","Enantioselective α-hydroxylation of β-ketoamides.","Organic & biomolecular chemistry","2013","11","6","896","899","10.1039/c2ob27283k","","","0.71073","MoKα","","0.1224","0.0789","","","0.1777","0.1993","","","","","","1.075","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152824","6.116","0.006","11.264","0.007","13.284","0.008","111.01","0.07","92.49","0.07","101.66","0.08","829.9","1.2","294","2","294","2","","","","","","","synthesis as described","5","P -1","-P 1","2","","","","- C16 H19 N2 O5 P -","- C16 H19 N2 O5 P -","- C32 H38 N4 O10 P2 -","2","1","","Arróniz, Carlos; Molina, Juan; Abás, Sonia; Molins, Elies; Campanera, Josep M.; Luque, F. Javier; Escolano, Carmen","First diastereoselective [3 + 2] cycloaddition reaction of diethyl isocyanomethylphosphonate and maleimides.","Organic & biomolecular chemistry","2013","11","10","1640","1649","10.1039/c3ob26766k","","x-ray","0.71073","MoKα","","0.1876","0.0659","","","0.1378","0.1696","","","","","","0.898","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152825","14.959","0.002","14.959","0.002","14.02","0.003","90","","90","","120","","2717","0.8","113","2","113","2","","","","","","","","4","P 61","P 61","169","","","","- C21 H17 Br O4 -","- C21 H17 Br O4 -","- C126 H102 Br6 O24 -","6","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","0.71073","MoKα","","0.0383","0.0337","","","0.0636","0.0657","","","","","","1.007","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152826","9.254","0.004","10.49","0.005","11.773","0.005","90.722","0.006","91.612","0.006","112.65","0.009","1054","0.8","113","2","113","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H25 Cl O6 -","- C22 H25 Cl O6 -","- C44 H50 Cl2 O12 -","2","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","0.71073","MoKα","","0.0516","0.0333","","","0.0763","0.0806","","","","","","0.986","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152827","11.757","0.004","5.943","0.002","25.7","0.008","90","","102.394","0.006","90","","1753.9","1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 F O4 -","- C21 H17 F O4 -","- C84 H68 F4 O16 -","4","1","","Li, Xin; Wang, Feng; Dong, Nan; Cheng, Jin-Pei","Phosphine-containing Lewis base catalyzed cyclization of benzofuranone type electron-deficient alkenes with allenoates: a facile synthesis of spirocyclic benzofuranones.","Organic & biomolecular chemistry","2013","11","9","1451","1455","10.1039/c3ob27288e","","","1.54187","CuKα","","0.0852","0.0816","","","0.178","0.1858","","","","","","1.164","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152828","7.0809","0.0007","7.6178","0.0008","21.146","0.002","90","","90","","90","","1140.6","0.2","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C12 H11 N3 O S -","- C12 H11 N3 O S -","- C48 H44 N12 O4 S4 -","4","1","","Xie, Zengyang; Zhu, Xiaojun; Guan, Yangfan; Zhu, Dunru; Hu, Hongwen; Lin, Chen; Pan, Yi; Jiang, Juli; Wang, Leyong","Cu-catalyzed direct C-H bond functionalization: a regioselective protocol to 5-aryl thiazolo[3,2-b]-1,2,4-triazoles.","Organic & biomolecular chemistry","2013","11","8","1390","1398","10.1039/c2ob27326h","","","0.71073","MoKα","","0.0486","0.0349","","","0.0752","0.0818","","","","","","1.038","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152829","6.3583","0.001","11.9472","0.0018","19.211","0.003","90","","91.318","0.002","90","","1459","0.4","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 Br Cl0 N3 S -","- C16 H10 Br N3 S -","- C64 H40 Br4 N12 S4 -","4","1","","Xie, Zengyang; Zhu, Xiaojun; Guan, Yangfan; Zhu, Dunru; Hu, Hongwen; Lin, Chen; Pan, Yi; Jiang, Juli; Wang, Leyong","Cu-catalyzed direct C-H bond functionalization: a regioselective protocol to 5-aryl thiazolo[3,2-b]-1,2,4-triazoles.","Organic & biomolecular chemistry","2013","11","8","1390","1398","10.1039/c2ob27326h","","","0.71073","MoKα","","0.0539","0.0357","","","0.0857","0.0917","","","","","","1.032","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152830","12.297","0.003","5.9174","0.0009","14.699","0.003","90","","105.678","0.004","90","","1029.8","0.4","295","","295","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H24 Br N O2 -","- C22 H24 Br N O2 -","- C44 H48 Br2 N2 O4 -","2","1","","Lee, Myungmo; Lee, Young-Ju; Park, Eunyoung; Park, Yohan; Ha, Min Woo; Hong, Suckchang; Lee, Yeon-Ju; Kim, Taek-Soo; Kim, Mi-Hyun; Park, Hyeung-Geun","Highly enantioselective synthesis of 5-phenyl-2-alkylprolines using phase-transfer catalytic alkylation.","Organic & biomolecular chemistry","2013","11","12","2039","2046","10.1039/c3ob27089k","","","0.71075","MoKα","","","0.0405","","","","0.1218","","","","","","0.994","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152831","14.298","0.001","5.6536","0.0005","17.4704","0.0014","90","","111.057","0.004","90","","1317.92","0.19","120","0.1","120","0.1","","","","","","","synthesis as described","3","P 1 2/n 1","-P 2yac","13","2004uv01cj01","","","- C15 H16 O4 -","- C15 H16 O4 -","- C60 H64 O16 -","4","1","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","1.5418","CuKα","","0.0502","0.0446","","","0.1312","0.1363","","","","","","1.102","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152832","8.0469","0.0007","20.6366","0.0015","32.852","0.003","90","","90","","90","","5455.4","0.8","100","2","100","2","","","","","","","synthesis as described","3","P 21 21 21","P 2ac 2ab","19","S-FBPOHMe","","","- C16 H16 O3 -","- C16 H16 O3 -","- C256 H256 O48 -","16","4","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","0.71073","MoKα","","0.0744","0.0436","","","0.0887","0.1024","","","","","","1.034","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152833","10.6549","0.0004","12.0512","0.0005","17.2822","0.0005","90","","90","","90","","2219.11","0.14","100","2","100","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","S-FBPOH/R-Trp","","","- C27 H26 N2 O4 -","- C27 H26 N2 O4 -","- C108 H104 N8 O16 -","4","1","","Bonancía, Paula; Vayá, Ignacio; Markovitsi, Dimitra; Gustavsson, Thomas; Jiménez, M Consuelo; Miranda, Miguel A.","Stereodifferentiation in the intramolecular singlet excited state quenching of hydroxybiphenyl-tryptophan dyads.","Organic & biomolecular chemistry","2013","11","12","1958","1963","10.1039/c3ob27278h","","x-ray","0.71073","MoKα","","0.0613","0.0495","","","0.0996","0.1059","","","","","","1.089","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152834","11.2094","0.0016","14.479","0.002","16.455","0.002","80.674","0.003","86.095","0.003","75.836","0.003","2554.1","0.6","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29.25 H31 N4 O2.25 -","- C29.25 H30 N4 O2.25 -","- C117 H120 N16 O9 -","4","2","","Li, Honglin; Guan, Hong; Duan, Xinrui; Hu, Jun; Wang, Guiren; Wang, Qian","An acid catalyzed reversible ring-opening/ring-closure reaction involving a cyano-rhodamine spirolactam.","Organic & biomolecular chemistry","2013","11","11","1805","1809","10.1039/c3ob27356c","","","0.71073","MoKα","","0.0847","0.0459","","","0.0744","0.0843","","","","","","0.855","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152835","5.7374","0.0005","15.8715","0.0013","15.0804","0.0013","90","","96.019","0.001","90","","1365.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H20 N2 O -","- C16 H20 N2 O -","- C64 H80 N8 O4 -","4","1","","Gautam, Lekh Nath; Wang, Qiaoyi; Akhmedov, Novruz G.; Petersen, Jeffrey L.; Shi, Xiaodong","Stereoselective synthesis of N-heterocycles through amine addition to nitroalkenes.","Organic & biomolecular chemistry","2013","11","12","1917","1920","10.1039/c3ob27452g","","","0.71073","MoKα","","0.0653","0.0587","","","0.1664","0.1734","","","","","","1.056","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152836","20.6041","0.0014","10.2213","0.0006","6.8832","0.0005","90","","90.37","0.007","90","","1449.58","0.17","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C13 H17 I N4 O -","- C13 H17 I N4 O -","- C52 H68 I4 N16 O4 -","4","1","","Lebraud, Honorine; Cano, Celine; Carbain, Benoit; Hardcastle, Ian R.; Harrington, Ross W.; Griffin, Roger J.; Golding, Bernard T.","Trifluoroethanol solvent facilitates selective N-7 methylation of purines.","Organic & biomolecular chemistry","2013","11","11","1874","1878","10.1039/c3ob27473j","","","0.71073","MoKα","","0.05","0.0428","","","0.1069","0.1121","","","","","","1.065","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152837","18.4983","0.0019","9.7453","0.001","14.3824","0.0015","90","","117.709","0.002","90","","2295.4","0.4","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C24 H25 Br N2 O4 -","- C24 H25 Br N2 O4 -","- C96 H100 Br4 N8 O16 -","4","1","","Hu, Fang-Le; Wei, Yin; Shi, Min; Pindi, Suresh; Li, Guigen","Asymmetric catalytic aza-Morita-Baylis-Hillman reaction for the synthesis of 3-substituted-3-aminooxindoles with chiral quaternary carbon centers.","Organic & biomolecular chemistry","2013","11","12","1921","1924","10.1039/c3ob27495k","","","0.71073","MoKα","","0.0407","0.0353","","","0.0785","0.0806","","","","","","0.97","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152838","6.69","0.002","7.08","0.002","20.692","0.006","90","","95.955","0.005","90","","974.8","0.5","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O8 -","- C22 H22 O8 -","- C44 H44 O16 -","2","1","","Wang, Zhaofeng; Zhao, Kun; Fu, Junkai; Zhang, Junlin; Yin, Weiyu; Tang, Yefeng","Organocatalytic 1,4-conjugate addition of ascorbic acid to α,β-unsaturated aldehydes: bio-inspired total syntheses of leucodrin, leudrin and proposed structure of dilaspirolactone.","Organic & biomolecular chemistry","2013","11","13","2093","2097","10.1039/c3ob00046j","","","0.71073","MoKα","","0.0498","0.0471","","","0.0973","0.0992","","","","","","1.119","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152839","6.1123","0.0004","17.974","0.0012","11.7487","0.0008","90","","96.038","0.001","90","","1283.58","0.15","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H15 N O4 -","- C15 H15 N O4 -","- C60 H60 N4 O16 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0483","0.0424","","","0.1124","0.1176","","","","","","1.042","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152840","11.3435","0.001","5.9481","0.0005","20.6935","0.0018","90","","103.511","0.001","90","","1357.6","0.2","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 Br N O3 -","- C15 H14 Br N O3 -","- C60 H56 Br4 N4 O12 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0338","0.0248","","","0.0532","0.0564","","","","","","1.029","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152841","14.8275","0.0013","7.8956","0.0007","11.8515","0.0011","90","","94.993","0.001","90","","1382.2","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H17 N O3 -","- C16 H17 N O3 -","- C64 H68 N4 O12 -","4","1","","Zhang, Jinzhu; Wu, Jing; Yin, Zhiwei; Zeng, Haisu; Khanna, Kunal; Hu, Chunhua; Zheng, Shengping","An expedient stereoselective and chemoselective synthesis of bicyclic oxazolidinones from quinols and isocyanates.","Organic & biomolecular chemistry","2013","11","18","2939","2942","10.1039/c3ob00047h","","","0.71073","MoKα","","0.0409","0.0354","","","0.0897","0.0945","","","","","","1.054","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152842","8.517","0.006","10.598","0.007","16.662","0.011","90","","94.57","0.007","90","","1499.2","1.8","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C18 H18 O2 -","- C18 H18 O2 -","- C72 H72 O8 -","4","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.71073","MoKα","","0.0985","0.0452","","","0.1041","0.1286","","","","","","1.035","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152843","12.3947","0.0007","8.5143","0.0004","21.6771","0.001","90","","104.571","0.006","90","","2214.1","0.2","294.5","0.14","294.5","0.14","","","","","","","","3","P 1 2/c 1","-P 2yc","13","","","","- C22 H24 O6 -","- C22 H24 O6 -","- C88 H96 O24 -","4","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.7107","MoKα","","0.1775","0.0973","","","0.2672","0.3319","","","","","","0.986","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152844","12.701","0.009","13.483","0.01","24.743","0.018","90","","95.229","0.006","90","","4220","5","296","2","296","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H28 O7 -","- C22 H28 O7 -","- C176 H224 O56 -","8","1","","Zhang, Jian-Jian; Yan, Chang-Song; Peng, Yu; Luo, Zhen-Biao; Xu, Xiao-Bo; Wang, Ya-Wen","Total synthesis of (±)-sacidumlignans D and A through Ueno-Stork radical cyclization reaction.","Organic & biomolecular chemistry","2013","11","15","2498","2513","10.1039/c3ob00053b","","","0.71073","MoKα","","0.0822","0.0499","","","0.1482","0.1754","","","","","","1.1","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152845","8.376","0.002","13.152","0.003","11.24","0.003","90","","104.024","0.004","90","","1201.3","0.5","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","2-(2-Methylphenylimino)-1,3-thiaselenane","","- C11 H13 N S Se -","- C11 H13 N S Se -","- C44 H52 N4 S4 Se4 -","4","1","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.0539","0.0372","","","0.09","0.0967","","","","","","0.882","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152846","12.348","0.003","17.281","0.004","14.35","0.004","90","","100.9","0.004","90","","3006.8","1.3","296","2","296","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","3-Methoxy-5-selena-9-thia-1-(4-tolyl)-1-azaspiro[3.5]nonan-2-one","","- C14 H17 N O2 S Se -","- C14 H17 N O2 S Se -","- C112 H136 N8 O16 S8 Se8 -","8","2","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.0736","0.0576","","","0.1553","0.1667","","","","","","1.068","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152847","12.283","0.005","5.835","0.002","19.052","0.008","90","","91.933","0.006","90","","1364.7","0.9","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","2-Methoxy-N-phenyl-2-(1,3-thiaselenan-2-ylidene)acetamide","","- C13 H15 N O2 S Se -","- C13 H15 N O2 S Se -","- C52 H60 N4 O8 S4 Se4 -","4","1","","Toyoda, Yosuke; Ninomiya, Masayuki; Ebihara, Masahiro; Koketsu, Mamoru","The Staudinger reaction with 2-imino-1,3-thiaselenanes toward the synthesis of C4 spiro-β-lactams.","Organic & biomolecular chemistry","2013","11","16","2652","2659","10.1039/c3ob00073g","","","0.71075","MoKα","","0.1271","0.0697","","","0.1822","0.2658","","","","","","0.888","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152848","13.3763","0.0002","18.3674","0.0002","10.6707","0.0001","90","","98.939","0.001","90","","2589.82","0.05","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C33 H28 O4 -","- C33 H28 O4 -","- C132 H112 O16 -","4","1","","Selvi, Thangavel; Srinivasan, Kannupal","Indium triflate-catalysed Diels-Alder reactions of isochromenylium cations with enones.","Organic & biomolecular chemistry","2013","11","13","2162","2167","10.1039/c3ob26284g","","","0.71073","MoKα","","0.0513","0.0419","","","0.1112","0.1199","","","","","","1.031","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152849","9.862","0.002","10.08","0.002","27.249","0.006","90","","90","","90","","2708.8","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","2-isopropyl-5-methylcyclohexyl-4-(tert-butoxycarbonylamino)-2-methyl-5-phenylpentanoate","2-isopropyl-5-methylcyclohexyl-4-(tert-butoxycarbonylamino)-2-methyl-5-phenylpentanoate","","- C27 H43 N O4 -","- C27 H43 N O4 -","- C108 H172 N4 O16 -","4","1","","Shankar, Sreejith P.; Jagodzinska, Monika; Malpezzi, Luciana; Lazzari, Paolo; Manca, Ilaria; Greig, Iain R.; Sani, Monica; Zanda, Matteo","Synthesis and structure-activity relationship studies of novel tubulysin U analogues - effect on cytotoxicity of structural variations in the tubuvaline fragment.","Organic & biomolecular chemistry","2013","11","14","2273","2287","10.1039/c3ob27111k","","","1.54179","CuKα","","0.0591","0.0477","","","0.1207","0.1301","","","","","","1.072","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152850","12.756","0.005","15.696","0.005","10.018","0.005","90","0.005","98.51","0.005","90","0.005","1983.7","1.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","Ethyl 2-(3-(tert-butoxycarbonylamino)-4-methylpentanoyl) thiazole-4-carboxylate","","- C17 H28 N2 O5 S -","- C17 H28 N2 O5 S -","- C68 H112 N8 O20 S4 -","4","1","","Shankar, Sreejith P.; Jagodzinska, Monika; Malpezzi, Luciana; Lazzari, Paolo; Manca, Ilaria; Greig, Iain R.; Sani, Monica; Zanda, Matteo","Synthesis and structure-activity relationship studies of novel tubulysin U analogues - effect on cytotoxicity of structural variations in the tubuvaline fragment.","Organic & biomolecular chemistry","2013","11","14","2273","2287","10.1039/c3ob27111k","","","1.54179","CuKα","","0.0768","0.0552","","","0.1423","0.1584","","","","","","1.057","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152851","14.698","0.002","14.698","0.001","15.598","0.003","90","","90","","90","","3369.7","0.8","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H39 F6 N3 O8 -","- C29 H39 F6 N3 O8 -","- C116 H156 F24 N12 O32 -","4","1","","Bellucci, Maria Cristina; Terraneo, Giancarlo; Volonterio, Alessandro","Multi-component synthesis of peptide-sugar conjugates.","Organic & biomolecular chemistry","2013","11","15","2421","2444","10.1039/c3ob27176e","","","0.71073","MoKα","","0.0862","0.0438","","","0.1157","0.132","","","","","","0.956","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7152852","11.13","0.001","17.499","0.001","14.051","0.001","90","","99.9","0.003","90","","2695.9","0.3","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H35 F6 N3 O4 -","- C21 H35 F6 N3 O4 -","- C84 H140 F24 N12 O16 -","4","2","","Bellucci, Maria Cristina; Terraneo, Giancarlo; Volonterio, Alessandro","Multi-component synthesis of peptide-sugar conjugates.","Organic & biomolecular chemistry","2013","11","15","2421","2444","10.1039/c3ob27176e","","","0.71073","MoKα","","0.1055","0.0499","","","0.0915","0.1081","","","","","","1.006","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152853","7.192","0.003","14.069","0.004","9.2117","0.0016","90","","102.365","0.019","90","","910.5","0.5","123","1","123","1","","","","","","","Alan Spivey","4","P 1 21/n 1","-P 2yn","14","","","","- C11 H13 N O -","- C11 H13 N O -","- C44 H52 N4 O4 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71069","MoKα","","0.0517","0.0413","","","0.1134","0.1203","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152854","6.2151","0.0002","16.8252","0.0005","9.7311","0.0004","90","","90.176","0.001","90","","1017.58","0.06","120","1","120","1","","","","","","","","4","P 1 21 1","P 2yb","4","03csf003","","","- C23 H27 N O4 -","- C23 H27 N O4 -","- C46 H54 N2 O8 -","2","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71073","MoKα","","0.0761","0.0518","","","0.1087","0.1216","","","","","","1","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152855","10.6749","0.0008","11.6338","0.0009","17.366","0.0011","108.132","0.003","103.266","0.003","110.833","0.004","1769.5","0.2","273","1","273","1","","","","","","","","4","P -1","-P 1","2","04csf005","","","- C40 H47 N O7 -","- C40 H47 N O7 -","- C80 H94 N2 O14 -","2","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","0.71073","MoKα","","0.0513","0.0455","","","0.1213","0.1277","","","","","","1.006","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152856","16.17422","0.00015","16.17422","0.00015","7.32793","0.00011","90","","90","","90","","1917.03","0.04","173","","173","","","","","","","","","4","P 43","P 4cw","78","","","","- C19 H27 N O5 -","- C17 H23 N O4 -","- C68 H92 N4 O16 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","1.54184","CuKα","","0.044","0.0374","","","0.0947","0.0987","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152857","10.6847","0.0002","12.1746","0.0003","14.678","0.0003","90","","95.328","0.002","90","","1901.09","0.07","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H29 N O6 -","- C19 H29 N O6 -","- C76 H116 N4 O24 -","4","1","","Webber, Matthew J; Warren, Sarah A; Grainger, Damian M; Weston, Matthew; Clark, Stacy; Woodhead, Steven J; Powell, Lyn; Stokes, Stephen; Alanine, Alexander; Stonehouse, Jeffrey P; Frampton, Christopher S; White, Andrew J P; Spivey, Alan C","Towards the enantioselective synthesis of (-)-euonyminol‒preparation of a fully functionalised lower-rim model.","Organic & biomolecular chemistry","2013","11","15","2514","2533","10.1039/c3ob27187k","","","1.54184","CuKα","","0.0407","0.037","","","0.1","0.1021","","","","","","1.081","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152858","8.623","0.003","41.598","0.013","19.413","0.006","90","","100.518","0.005","90","","6846","4","100","2","100","2","","","","","","","Claudia Caltagirone","4","P 1 21/n 1","-P 2yn","14","","","","- C75 H107 N7 O6 -","- C75 H107 N7 O6 -","- C300 H428 N28 O24 -","4","1","","Caltagirone, Claudia; Bazzicalupi, Carla; Isaia, Francesco; Light, Mark E.; Lippolis, Vito; Montis, Riccardo; Murgia, Sergio; Olivari, Martina; Picci, Giacomo","A new family of bis-ureidic receptors for pyrophosphate optical sensing.","Organic & biomolecular chemistry","2013","11","15","2445","2451","10.1039/c3ob27244c","","","0.71075","MoKα","","0.1606","0.1018","","","0.1504","0.1762","","","","","","1.196","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152859","10.2116","0.0007","19.269","0.001","10.7192","0.0007","90","","113.424","0.001","90","","1935.4","0.2","123.2","","123.2","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H24 N6 O -","- C21 H24 N6 O -","- C84 H96 N24 O4 -","4","1","","Soeta, Takahiro; Tamura, Kaname; Fujinami, Shuhei; Ukaji, Yutaka","A three-component reaction of C,N-cyclic N'-acyl azomethine imines, isocyanides, and azide compounds: effective synthesis of 1,5-disubstituted tetrazoles with tetrahydroisoquinoline skeletons.","Organic & biomolecular chemistry","2013","11","13","2168","2174","10.1039/c3ob27297d","","","0.7107","MoKα","","","0.0493","","","","0.0738","","","","","","1.294","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152860","6.0206","0.0004","10.2488","0.0007","20.3688","0.0013","90","","90","","90","","1256.83","0.14","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C14 H11 Br S -","- C14 H11 Br S -","- C56 H44 Br4 S4 -","4","1","","Yang, Zhaozhen; Chen, Xiaoyi; Kong, Wei; Xia, Siyuan; Zheng, Renwei; Luo, Fang; Zhu, Gangguo","An operationally simple approach to (E)-α-halo vinyl sulfides and their applications for accessing stereodefined trisubstituted alkenes.","Organic & biomolecular chemistry","2013","11","13","2175","2185","10.1039/c3ob27307e","","","0.71073","MoKα","","0.0682","0.0353","","","0.074","0.0815","","","","","","1.059","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152861","17.855","0.002","6.2136","0.0007","27.618","0.003","90","","104.351","0.0017","90","","2968.4","0.6","123.1","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C42 H40 O2 -","- C42 H38 O2 -","- C168 H152 O8 -","4","1","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7107","MoKα","","","0.118","","","","0.2846","","","","","","1.231","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152862","11.3212","0.0006","11.3699","0.0006","25.0897","0.0014","96.268","0.004","96.618","0.004","90.287","0.004","3188.4","0.3","150","2","150","2","","","","","","","","2","P -1","-P 1","2","","","","- C44 H42 -","- C44 H42 -","- C176 H168 -","4","2","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7749","synchrotron","","0.089","0.0609","","","0.1558","0.1721","","","","","","1.03","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7152863","10.1439","0.0009","20.8219","0.0016","30.084","0.003","72.507","0.005","85.489","0.006","89.879","0.006","6040","0.9","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C42 H38 O2 -","- C42 H38 O2 -","- C336 H304 O16 -","8","4","","Hu, Jian-Yong; Paudel, Arjun; Seto, Nobuyuki; Feng, Xing; Era, Masanao; Matsumoto, Taisuke; Tanaka, Junji; Elsegood, Mark R. J.; Redshaw, Carl; Yamato, Takehiko","Pyrene-cored blue-light emitting [4]helicenes: synthesis, crystal structures, and photophysical properties.","Organic & biomolecular chemistry","2013","11","13","2186","2197","10.1039/c3ob27320b","","","0.7749","synchrotron","","0.1079","0.0752","","","0.1907","0.2123","","","","","","1.061","","","","has coordinates,has disorder","288505","2023-12-22","15:12:04",""
"7152864","5.7917","0.0006","16.0545","0.0016","18.954","0.002","90","","90.01","0.001","90","","1762.4","0.3","200","2","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H14 O4 -","- C9 H14 O4 -","- C72 H112 O32 -","8","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.2419","0.128","","","0.2915","0.3449","","","","","","1.057","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152865","7.3977","0.0003","9.1656","0.0003","14.8408","0.0005","90","","99.475","0.002","90","","992.54","0.06","296","2","296","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.051","0.043","","","0.1138","0.1219","","","","","","1.064","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152866","15.108","0.0003","9.3204","0.0002","16.7632","0.0004","90","","112.403","0.001","90","","2182.32","0.08","296","2","296","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C88 H144 O32 -","8","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0441","0.036","","","0.0956","0.1035","","","","","","0.814","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152867","9.0166","0.0005","29.3472","0.0017","10.9981","0.0006","90","","108.743","0.002","90","","2755.9","0.3","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H42 Cl2 O8 -","- C25 H42 Cl2 O8 -","- C100 H168 Cl8 O32 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0862","0.0567","","","0.136","0.1537","","","","","","1.032","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152868","9.3155","0.0011","19.012","0.002","6.3222","0.0007","90","","118.966","0.002","90","","979.63","0.19","200","2","200","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C10 H16 O4 -","- C10 H16 O4 -","- C40 H64 O16 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0453","0.0385","","","0.0993","0.1053","","","","","","1.044","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152869","5.902","0.0002","34.899","0.0012","7.948","0.0002","90","","100.671","0.001","90","","1608.77","0.09","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C16 H22 O5 S -","- C16 H22 O5 S -","- C64 H88 O20 S4 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0812","0.0624","","","0.1767","0.196","","","","","","1.052","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152870","9.829","0.0004","9.8991","0.0004","16.3718","0.0006","90","","90","","90","","1592.95","0.11","200","2","200","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H23 N O4 S -","- C16 H23 N O4 S -","- C64 H92 N4 O16 S4 -","4","1","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.0355","0.0331","","","0.0862","0.088","","","","","","1.043","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152871","9.9411","0.0004","14.1752","0.0005","14.3185","0.0006","66.168","0.002","82.006","0.001","90.097","0.002","1824.01","0.13","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C18 H27 N O4 S -","- C18 H27 N O4 S -","- C72 H108 N4 O16 S4 -","4","2","","Yeh, Ming-Chang P; Liang, Chia-Jung; Liu, Cheng-Yuan; Shih, Ya-Fon; Lee, I-Chen; Liu, Hsiang-Fang; Wang, Jeng-Long","Diastereoselective synthesis of vicinal cis-dihydroxyheterospirocycles by one-pot epoxidation/spirocyclization of C(3)-functionalized cyclohex-2-en-1-ols.","Organic & biomolecular chemistry","2013","11","20","3393","3399","10.1039/c3ob27352k","","","0.71073","MoKα","","0.1596","0.0982","","","0.2531","0.2953","","","","","","1.022","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152872","5.7769","0.0009","8.856","0.002","14.249","0.003","84.286","0.008","79.6","0.006","76.235","0.008","695.2","0.2","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","- C30 H38 N2 O8 -","1","1","","Tambara, Koujiro; Pantoş, G Dan","Conversion of aldoximes into nitriles and amides under mild conditions.","Organic & biomolecular chemistry","2013","11","15","2466","2472","10.1039/c3ob27362h","","","0.71073","MoKα","","0.1024","0.0934","","","0.2637","0.2715","","","","","","1.067","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152873","8.53","0.0003","12.4076","0.0004","15.1863","0.0007","90","","90","","90","","1607.27","0.11","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H24 N4 O2 -","- C17 H24 N4 O2 -","- C68 H96 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","1.5418","CuKα","","0.0444","0.0387","","","0.1035","0.1165","","","","","","1.154","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152874","15.0424","0.0007","11.666","0.0004","12.3412","0.0005","90","","111.569","0.005","90","","2014.04","0.16","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C92 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","1.5418","CuKα","","0.1001","0.0809","","","0.2029","0.2153","","","","","","1.098","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152875","8.6628","0.0004","8.6628","0.0004","55.161","0.002","90","","90","","90","","4139.5","0.3","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C184 H224 N32 O16 -","8","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0495","0.0413","","","0.0966","0.1014","","","","","","1.066","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152876","12.9249","0.0004","20.3503","0.0005","9.3869","0.0004","90","","124.73","0.001","90","","2029.13","0.12","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C23 H28 N4 O2 -","- C23 H28 N4 O2 -","- C92 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0644","0.0509","","","0.1056","0.1156","","","","","","1.059","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152877","7.9849","0.0003","7.9849","0.0003","19.6071","0.0008","90","","90","","90","","1250.12","0.08","150","2","150","2","","","","","","","","4","P 43 21 2","P 4nw 2abw","96","","","","- C11 H20 N4 O2 -","- C11 H20 N4 O2 -","- C44 H80 N16 O8 -","4","0.5","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0507","0.0414","","","0.1043","0.1118","","","","","","1.02","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152878","8.1565","0.0008","12.776","0.0015","15.5401","0.0017","90","","90","","90","","1619.4","0.3","150","2","150","2","","","","","","","","4","C 2 2 21","C 2c 2","20","","","","- C15 H28 N4 O2 -","- C15 H28 N4 O2 -","- C60 H112 N16 O8 -","4","0.5","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.1156","0.0775","","","0.1471","0.1639","","","","","","1.068","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152879","14.0399","0.0003","8.1422","0.0002","14.4418","0.0003","90","","90","","90","","1650.92","0.06","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H28 N4 O2 -","- C15 H28 N4 O2 -","- C60 H112 N16 O8 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.057","0.045","","","0.0982","0.1057","","","","","","1.036","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152880","6.6979","0.0002","12.3452","0.0005","13.8609","0.0004","90","","103.061","0.002","90","","1116.47","0.07","150","2","150","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H18 N4 O3 -","- C9 H18 N4 O3 -","- C36 H72 N16 O12 -","4","1","","Rowley, Julian H.; Yau, Sze Chak; Kariuki, Benson M.; Kennedy, Alan R.; Tomkinson, Nicholas C. O.","Readily accessible chiral at nitrogen cage structures.","Organic & biomolecular chemistry","2013","11","13","2198","2205","10.1039/c3ob27458f","","","0.71073","MoKα","","0.0896","0.054","","","0.1145","0.1291","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152881","8.6902","0.0001","34.9283","0.0003","11.4932","0.0002","90","","103.15","","90","","3397.1","0.08","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C30 H25 Au F6 N O7 P S2 -","- C30 H25 Au F6 N O7 P S2 -","- C120 H100 Au4 F24 N4 O28 P4 S8 -","4","2","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0479","0.0375","","","0.0789","0.0832","","","","","","1.003","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152882","11.581","0.0002","13.095","0.0003","13.0305","0.0003","90","","114.426","0.001","90","","1799.25","0.07","293","2","293","2","","","","","","","","8","P 1 21 1","P 2yb","4","","","","- C37 H33 Au F3 N2 O4 P S -","- C37 H33 Au F3 N2 O4 P S -","- C74 H66 Au2 F6 N4 O8 P2 S2 -","2","1","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0519","0.046","","","0.1194","0.1249","","","","","","1.064","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152883","10.5355","0.0003","11.8539","0.0004","15.7927","0.0005","94.235","0.002","100.106","0.001","112.49","0.002","1772.35","0.1","173","2","173","2","","","","","","","synthesis as described","8","P 1","P 1","1","","","","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","- C72 H72 Au2 F6 N4 O6 P2 S2 -","1","1","","Newcombe, Sonya; Bobin, Mariusz; Shrikhande, Amruta; Gallop, Chris; Pace, Yannick; Yong, Helen; Gates, Rebecca; Chaudhuri, Shuvashri; Roe, Mark; Hoffmann, Eva; Viseux, Eddy M. E.","Gold amides as anticancer drugs: synthesis and activity studies.","Organic & biomolecular chemistry","2013","11","19","3255","3260","10.1039/c3ob27460h","","x-ray","0.71073","MoKα","","0.0374","0.0305","","","0.0675","0.0706","","","","","","1.048","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152884","10.958","0.013","11.539","0.013","16.667","0.019","75.826","0.013","82.501","0.013","65.07","0.012","1852","4","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C36 H35 F12 N5 O P2 -","- C36 H35 F12 N5 O P2 -","- C72 H70 F24 N10 O2 P4 -","2","1","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.0877","0.0744","","","0.2161","0.2335","","","","","","1.034","","","","has coordinates","181910","2020-10-21","18:00:00",""
"7152885","9.6585","0.0004","25.7091","0.0012","14.0835","0.0007","90","","92.542","0.002","90","","3493.7","0.3","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C68 H56 F24 N10 O P4 -","- C68 H56 F24 N10 O P4 -","- C136 H112 F48 N20 O2 P8 -","2","0.5","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.2034","0.0815","","","0.2006","0.2533","","","","","","1.104","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152886","14.481","0.003","13.824","0.003","16.878","0.003","90","","109.685","0.003","90","","3181.3","1.1","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15.5 Br N2.5 O1.5 -","- C17 H15.5 Br N2.5 O1.5 -","- C136 H124 Br8 N20 O12 -","8","4","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.106","0.0641","","","0.1537","0.1815","","","","","","1.03","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152887","8.8544","0.0015","11.0995","0.0019","16.475","0.003","91.233","0.002","90.453","0.002","105.781","0.002","1557.6","0.5","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C4.11 H3.22 Br0.22 N0.56 O0.06 -","- C4.11111 H3.22222 Br0.222222 N0.555556 O0.0555556 -","- C74 H58 Br4 N10 O -","18","9","","Zhang, Dawei; Jiang, Xiaozhi; Yang, Haiqiang; Martinez, Alexandre; Feng, Meiyuan; Dong, Zhiyun; Gao, Guohua","Acridine-based macrocyclic fluorescent sensors: self-assembly behavior characterized by crystal structures and a tunable bathochromic-shift in emission induced by H2PO4(-)via adjusting the ring size and rigidity.","Organic & biomolecular chemistry","2013","11","20","3375","3381","10.1039/c3ob27500k","","","0.71073","MoKα","","0.1144","0.063","","","0.1865","0.2112","","","","","","1.082","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152888","7.7325","0.0003","8.863","0.0003","9.8596","0.0003","82.255","0.002","68.663","0.002","78.619","0.002","615.55","0.04","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H11 N O -","- C17 H11 N O -","- C34 H22 N2 O2 -","2","1","","Chen, Xuxing; He, Qian; Xie, Yuyuan; Yang, Chunhao","Palladium(ii)-catalyzed synthesis of functionalized indenones via oxidation and cyclization of 2-(2-arylethynylphenyl)acetonitriles.","Organic & biomolecular chemistry","2013","11","16","2582","2585","10.1039/c3ob40103k","","","0.71073","MoKα","","0.0586","0.0503","","","0.1646","0.1725","","","","","","1.634","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152889","9.6394","0.0003","13.2527","0.0004","22.5332","0.0006","90","","90","","90","","2878.57","0.15","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H36 O7 S2 -","- C30 H36 O7 S2 -","- C120 H144 O28 S8 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","0.71073","MoKα","","0.0281","0.0266","","","0.0694","0.0705","","","","","","1.02","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152890","5.7115","0.0001","15.4417","0.0003","19.7977","0.0004","90","","95.9719","0.0008","90","","1736.59","0.06","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(2Z)-2-(5-fluoro-2-{2-(phenylsulfonyl)ethyl}benzyl)but-2-ene-1,4-diol","","- C19 H21 F O4 S -","- C19 H21 F O4 S -","- C76 H84 F4 O16 S4 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0427","0.0405","","","0.1143","0.1166","","","","","","1.033","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152891","12.4942","0.0006","13.9308","0.0006","40.8485","0.0018","90","","90","","90","","7109.9","0.6","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H46 F O7.5 S2 -","- C38 H46 F O7.5 S2 -","- C304 H368 F8 O60 S16 -","8","2","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","0.71073","MoKα","","0.0599","0.0412","","","0.0844","0.0932","","","","","","1.031","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152892","8.2366","0.0002","12.8102","0.0003","37.2684","0.0007","90","","90","","90","","3932.28","0.15","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C40 H48 F O9 S2 -","- C37 H41 F O9 S2 -","- C148 H164 F4 O36 S8 -","4","1","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0295","0.0292","","","0.0789","0.0791","","","","","","1.084","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152893","12.3385","0.0001","13.7101","0.0002","41.224","0.0005","90","","90","","90","","6973.54","0.14","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C37 H42 F O7.5 S2 -","- C37 H42 F O7.5 S2 -","- C296 H336 F8 O60 S16 -","8","2","","Sreedharan, Dinesh T.; Clive, Derrick L. J.","Asymmetric synthesis of carbocycles: use of intramolecular conjugate displacement.","Organic & biomolecular chemistry","2013","11","19","3128","3144","10.1039/c3ob40115d","","","1.54178","CuKα","","0.0291","0.0284","","","0.076","0.0765","","","","","","1.057","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152894","9.912","0.0006","11.6861","0.0009","15.4195","0.0011","93.93","0.001","104.033","0.002","103.177","0.002","1672.6","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C37 H38 N2 O3 -","- C37 H38 N2 O3 -","- C74 H76 N4 O6 -","2","1","","Ding, Yubin; Li, Tong; Li, Xin; Zhu, Weihong; Xie, Yongshu","From nonconjugation to conjugation: novel meso-OH substituted dipyrromethanes as fluorescence turn-on Zn(2+) probes.","Organic & biomolecular chemistry","2013","11","16","2685","2692","10.1039/c3ob40121a","","","0.71073","MoKα","","0.1287","0.0603","","","0.1044","0.1206","","","","","","1.063","","","","has coordinates,has disorder","180314","2020-10-21","18:00:00",""
"7152895","10.477","0.003","12.939","0.003","13.929","0.003","111.981","0.007","99.22","0.007","101.616","0.007","1656.4","0.7","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H44 N6 O -","- C38 H44 N6 O -","- C76 H88 N12 O2 -","2","1","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.0799","0.0478","","","0.1151","0.1315","","","","","","1.005","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152896","11.774","0.002","13.988","0.003","17.936","0.003","97.519","0.006","104.854","0.006","111.281","0.005","2577","0.8","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C38 H43.33 N6 O0.66 -","- C38 H43.3333 N6 O0.666667 -","- C114 H130 N18 O2 -","3","1.5","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.1194","0.053","","","0.1182","0.1475","","","","","","1.004","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152897","13.937","0.005","19.444","0.007","11.779","0.004","90","","100.961","0.014","90","","3133.8","1.9","295","2","295","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C38 H38 N6 -","- C38 H38 N6 -","- C152 H152 N24 -","4","1","","Guchhait, Tapas; Jha, Vikesh Kumar; Mani, Ganesan","The syn and anti isomers of the porphyrinogen-like precursor of calix[4]phyrin: isolation, X-ray structure, anion binding and fluoride-ion-mediated proton-deuterium exchange studies.","Organic & biomolecular chemistry","2013","11","17","2818","2826","10.1039/c3ob40147b","","","0.71073","MoKα","","0.081","0.0503","","","0.1126","0.1266","","","","","","1.043","","","","has coordinates","180314","2020-10-21","18:00:00",""
"7152898","6.9174","0.0002","9.4363","0.0003","14.0634","0.0004","90","","90","","90","","917.98","0.05","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C8 H15 N O3 -","- C8 H15 N O3 -","- C32 H60 N4 O12 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.","Organic & biomolecular chemistry","2013","11","19","3187","3202","10.1039/c3ob40205c","","","1.54184","CuKα","","0.0382","0.034","","0.0864","0.083","0.0864","","","","","","1.0023","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152899","9.0523","0.0001","11.9795","0.0002","22.5183","0.0004","90","","90","","90","","2441.93","0.07","150","","150","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H37 N O6 -","- C25 H37 N O6 -","- C100 H148 N4 O24 -","4","1","","Brock, E. Anne; Davies, Stephen G.; Lee, James A.; Roberts, Paul M.; Thomson, James E.","Polyhydroxylated pyrrolizidine alkaloids from transannular iodoaminations: application to the asymmetric syntheses of (-)-hyacinthacine A1, (-)-7a-epi-hyacinthacine A1, (-)-hyacinthacine A2, and (-)-1-epi-alexine.","Organic & biomolecular chemistry","2013","11","19","3187","3202","10.1039/c3ob40205c","","","0.71073","MoKα","","0.0322","0.028","","0.0678","0.0635","0.0678","","","","","","0.9306","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152900","7.677","0.0015","14.89","0.003","8.9195","0.0018","90","","105.14","0.03","90","","984.2","0.4","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H15 N O3 -","- C10 H15 N O3 -","- C40 H60 N4 O12 -","4","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0695","0.0615","","","0.1283","0.1326","","","","","","1.166","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152901","13.826","0.003","9.5792","0.0019","16.063","0.003","90","","90","","90","","2127.4","0.7","173","2","173","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0722","0.061","","","0.1202","0.1253","","","","","","1.191","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152902","25.951","0.005","5.6442","0.0011","15.203","0.003","90","","113.62","0.03","90","","2040.3","0.8","173","2","173","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C80 H136 N8 O24 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0947","0.0833","","","0.1619","0.1678","","","","","","1.233","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152903","11.044","0.003","8.006","0.0019","11.73","0.003","90","","98.346","0.004","90","","1026.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C10 H17 N O3 -","- C10 H17 N O3 -","- C40 H68 N4 O12 -","4","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0555","0.0502","","","0.1136","0.1176","","","","","","1.112","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152904","15.663","0.003","8.2891","0.0017","21.056","0.004","90","","90","","90","","2733.7","0.9","173","2","173","2","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C14 H20 N2 O2 -","- C14 H20 N2 O2 -","- C112 H160 N16 O16 -","8","1","","Li, Guang; Zhang, Xun; Li, Qi; Feng, Pengju; Shi, Yian","A concise approach to the spiroiminal fragment of marineosins.","Organic & biomolecular chemistry","2013","11","18","2936","2938","10.1039/c3ob40208h","","","0.71073","MoKα","","0.0889","0.0731","","","0.123","0.1285","","","","","","1.245","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152905","10.6173","0.0007","9.222","0.0006","10.9711","0.0007","90","","115.165","0.002","90","","972.25","0.11","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Cl N O4 -","- C22 H22 Cl N O4 -","- C44 H44 Cl2 N2 O8 -","2","1","","Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.","Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.","Organic & biomolecular chemistry","2013","11","15","2412","2416","10.1039/c3ob40246k","","","0.71073","MoKα","","0.0471","0.0373","","","0.0757","0.0791","","","","","","1.054","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152906","10.1531","0.0009","9.1685","0.0007","11.3968","0.0009","90","","110.669","0.002","90","","992.63","0.14","273","2","273","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C22 H22 Br N O4 -","- C22 H22 Br N O4 -","- C44 H44 Br2 N2 O8 -","2","1","","Ray, Sumit K.; Rout, Subhrajit; Singh, Vinod K.","Enantioselective synthesis of 3,4-dihydropyran derivatives via a Michael addition reaction catalysed by chiral pybox-diph-Zn(ii) complex.","Organic & biomolecular chemistry","2013","11","15","2412","2416","10.1039/c3ob40246k","","","0.71073","MoKα","","0.0937","0.0521","","","0.0676","0.0769","","","","","","0.936","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152907","21.3378","0.0019","11.5579","0.001","10.3203","0.0009","90","","100.329","0.008","90","","2503.9","0.4","120","","120","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","tert-Butyl 2,2'-(6-nitro-6-phenyl-1,4-diazepane-1,4-diyl)diacetate","","- C23 H35 N3 O6 -","- C23 H35 N3 O6 -","- C92 H140 N12 O24 -","4","1","","Parker, David; Waldron, Bradley P.","Conformational analysis and synthetic approaches to polydentate perhydro-diazepine ligands for the complexation of gallium(iii).","Organic & biomolecular chemistry","2013","11","17","2827","2838","10.1039/c3ob40287h","","","0.7107","MoKα","Mo","0.2327","0.0899","","","0.1741","0.2425","","","","","","0.944","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152908","5.7906","0.0007","9.5843","0.0011","20.978","0.002","81.025","0.01","87.158","0.01","85.46","0.01","1145.6","0.2","120","","120","","","","","","","","","4","P -1","-P 1","2","","tert-Butyl 2,2'-(6-hydroxy-6-phenyl-1,4-diazepane-1,4-diyl)diacetate","","- C23 H36 N2 O5 -","- C23 H36 N2 O5 -","- C46 H72 N4 O10 -","2","1","","Parker, David; Waldron, Bradley P.","Conformational analysis and synthetic approaches to polydentate perhydro-diazepine ligands for the complexation of gallium(iii).","Organic & biomolecular chemistry","2013","11","17","2827","2838","10.1039/c3ob40287h","","x-ray","0.71073","MoKα","K-L~3~","0.1141","0.0563","","","0.1154","0.1365","","","","","","0.994","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152909","8.6179","0.0003","7.0392","0.0003","30.2576","0.001","90","","91.859","0.003","90","","1834.55","0.12","130","0.2","130","0.2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 O3 -","- C11 H12 O3 -","- C88 H96 O24 -","8","2","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0523","0.0444","","","0.1315","0.1491","","","","","","1.118","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152910","6.9852","0.001","10.5113","0.0015","10.8498","0.0011","68.415","0.011","78.65","0.01","80.137","0.012","721.99","0.17","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C17 H15 N O5 -","- C17 H15 N O5 -","- C34 H30 N2 O10 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0519","0.0425","","","0.108","0.1167","","","","","","1.071","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152911","8.126","0.0006","8.7446","0.0005","12.5714","0.0007","89.867","0.005","76.801","0.005","62.719","0.007","767.54","0.1","130","2","130","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O6 -","- C18 H15 N O6 -","- C36 H30 N2 O12 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0462","0.0431","","","0.1169","0.1196","","","","","","1.018","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152912","7.5474","0.0004","8.41","0.0005","13.9152","0.0008","102.757","0.005","90.682","0.004","115.31","0.005","773.07","0.09","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C18 H15 N O6 -","- C18 H15 N O6 -","- C36 H30 N2 O12 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0564","0.0426","","","0.0982","0.1093","","","","","","1.053","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152913","5.7385","0.0004","10.3221","0.0007","13.5698","0.0009","111.374","0.006","92.266","0.005","102.902","0.006","723.1","0.09","130","0.2","130","0.2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H11 Cl3 O4 -","- C13 H11 Cl3 O4 -","- C26 H22 Cl6 O8 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","1.5418","CuKα","","0.0578","0.0522","","","0.1436","0.1479","","","","","","1.079","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152914","5.8663","0.0003","8.9585","0.0006","12.2036","0.0007","95.715","0.005","103.005","0.005","104.096","0.005","597.93","0.07","130","","130","","","","","","","","","4","P -1","-P 1","2","","","","- C12 H14 O5 S -","- C12 H14 O5 S -","- C24 H28 O10 S2 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0447","0.0372","","","0.0897","0.0957","","","","","","1.056","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152915","7.3222","0.0002","8.3972","0.0003","13.2244","0.0004","90","","92.244","0.003","90","","812.49","0.04","130","","130","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C17 H15 N O7 S -","- C17 H15 N O7 S -","- C34 H30 N2 O14 S2 -","2","1","","Harris, Benjamin; Savage, G. Paul; White, Jonathan M.","Hyperconjugation involving strained carbon-carbon bonds. Application of the variable oxygen probe to ester and ether derivatives of cubylmethanol.","Organic & biomolecular chemistry","2013","11","19","3151","3158","10.1039/c3ob40288f","","","0.7107","MoKα","","0.0428","0.0375","","","0.0894","0.0936","","","","","","1.004","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152916","9.992","0.002","10.278","0.002","17.851","0.004","90","","90","","90","","1833.3","0.7","113","2","113","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C15 H23 N2 O7 P -","- C15 H23 N2 O7 P -","- C60 H92 N8 O28 P4 -","4","1","","Fan, Weidong; Kong, Shasha; Cai, Yan; Wu, Guiping; Miao, Zhiwei","Diastereo- and enantioselective nitro-Mannich reaction of α-substituted nitroacetates to N-phosphoryl imines catalyzed by cinchona alkaloid thiourea organocatalysts.","Organic & biomolecular chemistry","2013","11","19","3223","3229","10.1039/c3ob40335a","","","0.71073","MoKα","","0.0341","0.0285","","","0.065","0.0668","","","","","","1.014","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152917","9.885","0.0008","14.8989","0.0013","16.7201","0.0015","105.671","0.001","104.415","0.001","106.917","0.002","2120.1","0.3","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H16 N2 O2 S -","- C27 H16 N2 O2 S -","- C108 H64 N8 O8 S4 -","4","2","","Li, Ying; Fan, Wei; Xu, Hai-Wei; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A novel three-component [5 + 1] heterocyclization leading to 2-azafluorenone synthesis and its polyfunctionalizations.","Organic & biomolecular chemistry","2013","11","15","2417","2420","10.1039/c3ob40371h","","","0.71073","MoKα","","0.151","0.0741","","","0.1714","0.2008","","","","","","1.028","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152918","12.174","0.006","6.293","0.003","12.398","0.006","90","","98.901","0.014","90","","938.4","0.8","173","","173","","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H22 O4 -","- C22 H22 O4 -","- C44 H44 O8 -","2","1","","Leckie, Stuart M.; Brown, T. Bruce; Pryde, David; Lebl, Tomas; Slawin, Alexandra M. Z.; Smith, Andrew D.","NHC-mediated enantioselective formal [4 + 2] cycloadditions of alkylarylketenes and β,γ-unsaturated α-ketocarboxylic esters and amides.","Organic & biomolecular chemistry","2013","11","19","3230","3246","10.1039/c3ob40424b","","","1.54187","CuKα","","","0.0498","","","","0.1347","","","","","","1.065","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152919","5.827","0.0009","9.2591","0.0014","8.8013","0.0013","90","","90.3","0.003","90","","474.85","0.12","100","2","100","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C5 H12 Cl F2 N O3 -","- C5 H12 Cl F2 N O3 -","- C10 H24 Cl2 F4 N2 O6 -","2","0.5","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","0.71073","MoKα","","0.0436","0.0356","","","0.0748","0.0774","","","","","","0.98","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152920","31.8762","0.0015","11.7398","0.0006","16.4074","0.0008","90","","116.395","0.002","90","","5499.9","0.5","100","2","100","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C43 H67 Cl3 F4 N10 O12 -","- C43 H67 Cl3 F4 N10 O12 -","- C172 H268 Cl12 F16 N40 O48 -","4","0.5","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","1.54178","CuKα","","0.0543","0.0521","","","0.1348","0.137","","","","","","1.049","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152921","13.0719","0.0016","11.4964","0.0014","15.273","0.002","90","","102.562","0.003","90","","2240.3","0.5","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C47 H58 N6 O8 -","- C47 H58 N6 O8 -","- C94 H116 N12 O16 -","2","1","","Pike, Sarah J.; De Poli, Matteo; Zawodny, Wojciech; Raftery, James; Webb, Simon J.; Clayden, Jonathan","Diastereotopic fluorine substituents as (19)F NMR probes of screw-sense preference in helical foldamers.","Organic & biomolecular chemistry","2013","11","19","3168","3176","10.1039/c3ob40463c","","","0.71073","MoKα","","0.1104","0.0491","","","0.0609","0.0763","","","","","","0.691","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152922","9.014","0.0005","10.7721","0.0005","11.3234","0.0007","90","","101.481","0.006","90","","1077.5","0.11","123","2","123","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H11 N O -","- C15 H11 N O -","- C60 H44 N4 O4 -","4","1","","Muir, Calum W.; Kennedy, Alan R.; Redmond, Joanna M.; Watson, Allan J. B.","Synthesis of functionalised 4H-quinolizin-4-ones via tandem Horner-Wadsworth-Emmons olefination/cyclisation.","Organic & biomolecular chemistry","2013","11","20","3337","3340","10.1039/c3ob40578h","","","0.71073","MoKα","","0.0769","0.0475","","","0.0937","0.1061","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152923","16.8344","0.0014","12.0895","0.0007","19.8772","0.0013","90","","117.868","0.005","90","","3576.2","0.5","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C13 H15 N O2 -","- C13 H15 N O2 -","- C156 H180 N12 O24 -","12","3","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.081","0.0588","","","0.1459","0.1605","","","","","","1.031","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152924","12.1245","0.0003","14.0624","0.0003","16.2235","0.0004","83.164","0.002","73.727","0.002","69.797","0.002","2491.16","0.11","173","2","173","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H14 N2 O4 -","- C13 H14 N2 O4 -","- C104 H112 N16 O32 -","8","4","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.1043","0.0558","","","0.1256","0.151","","","","","","1.017","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152925","9.7809","0.0003","11.4606","0.0004","20.8757","0.0007","90","","90","","90","","2340.06","0.13","150","1","150","1","","","","","","","","4","P b c n","-P 2n 2ab","60","","","","- C11 H19 N O2 -","- C11 H19 N O2 -","- C88 H152 N8 O16 -","8","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.1395","0.0691","","","0.1759","0.2306","","","","","","1.018","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152926","8.034","0.0004","9.1042","0.0005","11.2816","0.0007","70.084","0.003","70.43","0.003","80.387","0.004","729.7","0.07","150","1","150","1","","","","","","","","5","P -1","-P 1","2","","","","- C13 H17 N O6 S -","- C13 H17 N O6 S -","- C26 H34 N2 O12 S2 -","2","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.106","0.058","","","0.1347","0.167","","","","","","1.052","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152927","27.07","0.004","5.0325","0.0004","10.36","0.0014","90","","103.134","0.004","90","","1374.4","0.3","150","1","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C18 H15 N O2 -","- C18 H15 N O2 -","- C72 H60 N4 O8 -","4","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.0837","0.0499","","","0.1088","0.1259","","","","","","1.033","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152928","12.8657","0.0004","13.402","0.0005","14.1823","0.0003","90","","100.672","0.0019","90","","2403.1","0.13","150","1","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H28 Cu N2 O4 -","- C26 H28 Cu N2 O4 -","- C104 H112 Cu4 N8 O16 -","4","1","","Jones, Roderick C.; Herasymchuk, Khrystyna; Mahdi, Tayseer; Petrov, Anna; Resanović, Sanja; Vaughan, Douglas G.; Lough, Alan J.; Quail, J. Wilson; Koivisto, Bryan D.; Wylie, R. Stephen; Gossage, Robert A.","Tautomerism and metal complexation of 2-acylmethyl-2-oxazolines: a combined synthetic, spectroscopic, crystallographic and theoretical treatment.","Organic & biomolecular chemistry","2013","11","21","3484","3493","10.1039/c3ob25867j","","","0.71073","MoKα","","0.0767","0.042","","","0.0892","0.1036","","","","","","1.048","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152929","9.4026","0.0002","32.1434","0.0007","9.1405","0.0002","90","","110.9","0.001","90","","2580.78","0.1","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C29 H25 N3 O10 -","- C29 H25 N3 O10 -","- C116 H100 N12 O40 -","4","1","","Lee, Hogyu; Kim, Jun Hee; Lee, Won Koo; Cho, Jaeheung; Nam, Wonwoo; Lee, Jaedeok; Ha, Hyun-Joon","Highly stereoselective directed reactions and an efficient synthesis of azafuranoses from a chiral aziridine.","Organic & biomolecular chemistry","2013","11","22","3629","3634","10.1039/c3ob27390c","","","0.71073","MoKα","","0.0427","0.0357","","","0.0912","0.0964","","","","","","1.014","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152930","11.016","0.003","6.7826","0.0018","21.878","0.006","90","","101.024","0.004","90","","1604.5","0.8","150","2","150","2","","","","","","","","4","P 1 2/n 1","-P 2yac","13","","","","- C43 H30 N4 O2 -","- C43 H30 N4 O2 -","- C86 H60 N8 O4 -","2","0.5","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.8856","synchrotron","","0.0729","0.0446","","","0.1028","0.1149","","","","","","1.033","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152931","12.801","0.004","12.814","0.004","14.782","0.005","81.419","0.005","75.271","0.005","84.415","0.005","2314.3","1.3","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H38 F12 N6 O3 -","- C51 H38 F12 N6 O3 -","- C102 H76 F24 N12 O6 -","2","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.1336","0.0693","","","0.1809","0.213","","","","","","1.024","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152932","12.6859","0.0012","12.9511","0.0012","14.5378","0.0013","81.726","0.001","76.306","0.002","84.185","0.001","2290.8","0.4","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C51 H40 F12 N6 O3 -","- C51 H40 F12 N6 O3 -","- C102 H80 F24 N12 O6 -","2","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.0979","0.0674","","","0.1846","0.2038","","","","","","1.051","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152933","14.44","0.004","16.901","0.005","14.82","0.004","90","","117.629","0.004","90","","3204.4","1.6","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C43 H28 Cl N5 -","- C42.9985 H27.998 Cl1.0005 N5.0005 -","- C171.994 H111.992 Cl4.002 N20.002 -","4","1","","Akhigbe, Joshua; Haskoor, John; Krause, Jeanette A.; Zeller, Matthias; Brückner, Christian","Formation, structure, and reactivity of meso-tetraaryl-chlorolactones, -porpholactams, and -chlorolactams, porphyrin and chlorin analogues incorporating oxazolone or imidazolone moieties.","Organic & biomolecular chemistry","2013","11","22","3616","3628","10.1039/c3ob40138c","","","0.71073","MoKα","","0.1966","0.0733","","","0.1599","0.2002","","","","","","0.984","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152934","9.9199","0.0012","9.5808","0.0011","18.108","0.002","90","","105.506","0.003","90","","1658.4","0.3","100","2","100","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C22 H20 N2 -","- C22 H20 N2 -","- C88 H80 N8 -","4","1","","Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Symmetric and unsymmetric 3,3'-linked bispyrroles via ring-enlargement reactions of furan-derived donor-acceptor cyclopropanes.","Organic & biomolecular chemistry","2013","11","21","3494","3509","10.1039/c3ob40228b","","","0.71073","MoKα","","0.0643","0.0517","","","0.1384","0.147","","","","","","1.094","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152935","17.313","0.003","12.727","0.002","8.9581","0.0015","90","","93.106","0.008","90","","1971","0.6","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H21 N O2 -","- C26 H21 N O2 -","- C104 H84 N4 O8 -","4","0.5","","Kaschel, Johannes; Schneider, Tobias F.; Kratzert, Daniel; Stalke, Dietmar; Werz, Daniel B.","Symmetric and unsymmetric 3,3'-linked bispyrroles via ring-enlargement reactions of furan-derived donor-acceptor cyclopropanes.","Organic & biomolecular chemistry","2013","11","21","3494","3509","10.1039/c3ob40228b","","","1.54178","CuKα","","0.0326","0.0297","","","0.0761","0.079","","","","","","1.074","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152936","15.4853","0.0008","23.2543","0.001","27.7178","0.001","90","","90","","90","","9981.2","0.8","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C70.5 H130 O42 -","- C70.5 H130 O42 -","- C282 H520 O168 -","4","1","","Jouffroy, Matthieu; Armspach, Dominique; Matt, Dominique; Toupet, Loïc","Regioselective di- and tetra-functionalisation of γ-cyclodextrin using capping methodology.","Organic & biomolecular chemistry","2013","11","22","3699","3705","10.1039/c3ob40234g","","","0.71073","MoKα","","0.2359","0.07","","","0.1668","0.2129","","","","","","0.691","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152937","10.8452","0.0019","20.44","0.003","8.5123","0.0018","90","","106.969","0.015","90","","1804.8","0.6","213.1","","213","","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C16 H20 Cl2 N4 O -","- C16 H20 Cl2 N4 O -","- C64 H80 Cl8 N16 O4 -","4","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0509","","","","0.1532","","","","","","1.011","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152938","9.3274","0.0013","21.826","0.003","7.1188","0.0009","90","","94.249","0.011","90","","1445.3","0.3","213.1","","213","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H14 Br2 N4 -","- C14 H14 Br2 N4 -","- C56 H56 Br8 N16 -","4","0.5","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0367","","","","0.0997","","","","","","1.108","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152939","22.853","0.005","7.5764","0.0014","10.434","0.002","90","","96.625","0.017","90","","1794.5","0.6","213.1","","213","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H20 Cl2 N4 O2 -","- C16 H18 Cl2 N4 O2 -","- C64 H72 Cl8 N16 O8 -","4","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0423","","","","0.1547","","","","","","1.025","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152940","11.677","0.003","11.8984","0.0014","9.9909","0.0012","103.393","0.009","108.395","0.012","89.725","0.013","1277.9","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H30 N4 O8 -","- C24 H24 N4 O8 -","- C48 H48 N8 O16 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0631","","","","0.2094","","","","","","1.065","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152941","11.4606","0.0007","12.5728","0.0012","10.4779","0.0008","108.785","0.006","102.511","0.006","63.7","0.006","1276.53","0.19","213.1","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H24 F4 N4 O7 -","- C24 H20 F4 N4 O7 -","- C48 H40 F8 N8 O14 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0527","","","","0.1536","","","","","","1.045","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152942","11.197","0.005","11.525","0.006","10.753","0.005","116.02","0.03","90.97","0.03","73.52","0.04","1186.4","1.1","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O9 -","- C22 H18 N4 O9 -","- C44 H36 N8 O18 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0913","","","","0.3154","","","","","","1.046","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152943","11.6126","0.0014","12.017","0.002","10.144","0.002","108.959","0.014","94.679","0.015","114.816","0.011","1175.4","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H28 N4 O8 -","- C24 H20 N4 O8 -","- C48 H40 N8 O16 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0758","","","","0.2518","","","","","","1.073","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152944","11.48","0.005","11.934","0.005","10.976","0.004","109.92","0.03","102.6","0.03","111.76","0.03","1206.5","1.1","213.1","","213","","","","","","","","","5","P -1","-P 1","2","","","","- C24 H20 F4 N4 O6 -","- C24 H16 F4 N4 O6 -","- C48 H32 F8 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0566","","","","0.192","","","","","","1.055","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152945","11.5243","0.0013","11.7284","0.0016","10.081","0.0014","108.915","0.011","105.206","0.01","105.742","0.01","1145.2","0.3","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C22 H28 N4 O6 -","- C22 H28 N4 O6 -","- C44 H56 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0423","","","","0.1569","","","","","","1.186","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152946","12.054","0.003","12.563","0.004","9.714","0.003","105.63","0.02","109.56","0.02","102.83","0.02","1253.4","0.7","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H32 N4 O6 -","- C24 H28 N4 O6 -","- C48 H56 N8 O12 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0771","","","","0.2256","","","","","","1.071","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152947","9.7411","0.0015","16.079","0.003","7.9526","0.0019","98.725","0.016","103.439","0.015","79.976","0.012","1184.9","0.4","213.1","","213","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H32 N4 O4 -","- C26 H32 N4 O4 -","- C52 H64 N8 O8 -","2","1","","Kusukawa, Takahiro; Matsumoto, Kazuya; Nakamura, Hajime; Iizuka, Wataru; Toyama, Keisuke; Takeshita, Shota","Four-component assembly in the crystalline state driven by amidinium-carboxylate salt bridge formation from an aqueous solution.","Organic & biomolecular chemistry","2013","11","22","3692","3698","10.1039/c3ob40309b","","","1.54178","CuKα","","","0.0439","","","","0.1458","","","","","","0.929","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152948","9.229","0.0018","11.142","0.002","12.526","0.003","76.53","0.03","80.97","0.03","86.17","0.03","1236.5","0.5","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","3-bromo-N-(2-(3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl)-4 -chloro-6-methylphenyl)-1-(3-chloropyridin-2-yl)-1H-pyrazole -5-carboxamide","","- C24 H14 Br2 Cl2 N6 O2 -","- C24 H14 Br2 Cl2 N6 O2 -","- C48 H28 Br4 Cl4 N12 O4 -","2","1","","Li, Yuhao; Zhu, Hongjun; Chen, Kai; Liu, Rui; Khallaf, Abdalla; Zhang, Xiangning; Ni, Jueping","Synthesis, insecticidal activity, and structure-activity relationship (SAR) of anthranilic diamides analogs containing oxadiazole rings.","Organic & biomolecular chemistry","2013","11","24","3979","3988","10.1039/c3ob40345a","","","0.71073","MoKα","","0.1293","0.0657","","","0.149","0.1713","","","","","","1.001","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152949","5.7198","0.0015","9.0209","0.0019","11.863","0.003","79.85","0.019","78.78","0.02","87.139","0.019","590.9","0.3","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C26 H28 O2 S4 -","- C26 H28 O2 S4 -","- C26 H28 O2 S4 -","1","0.5","","Evans, Nicholas R.; White, Andrew J. P.","(E)-5,5'-Di(thiophen-2-yl)-3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-diones-from conspicuous blue impurities to ""quasi-metallic"" golden-bronze crystals.","Organic & biomolecular chemistry","2013","11","23","3871","3879","10.1039/c3ob40373d","","","1.54184","CuKα","","0.0775","0.0689","","","0.1966","0.2082","","","","","","1.074","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152950","6.3559","0.0004","8.6356","0.0003","11.6399","0.0006","78.832","0.004","77.408","0.005","87.543","0.004","611.71","0.06","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C24 H24 O2 S6 -","- C24 H24 O2 S6 -","- C24 H24 O2 S6 -","1","0.5","","Evans, Nicholas R.; White, Andrew J. P.","(E)-5,5'-Di(thiophen-2-yl)-3,3'-bi[thiophen-3(2H)-ylidene]-2,2'-diones-from conspicuous blue impurities to ""quasi-metallic"" golden-bronze crystals.","Organic & biomolecular chemistry","2013","11","23","3871","3879","10.1039/c3ob40373d","","","1.54184","CuKα","","0.0349","0.0306","","","0.0779","0.0801","","","","","","1.056","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152951","14.0891","0.0006","12.3368","0.0005","14.0775","0.0006","90","","117.268","0.001","90","","2174.96","0.16","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H30 N4 O4 -","- C22 H30 N4 O4 -","- C88 H120 N16 O16 -","4","1","","Ramanathan, Mani; Tan, Chun-Jui; Chang, Wen-Jung; Tsai, Hui-Hsu Gavin; Hou, Duen-Ren","Synthesis of the decalin core of codinaeopsin via an intramolecular Diels-Alder reaction.","Organic & biomolecular chemistry","2013","11","23","3846","3854","10.1039/c3ob40480c","","","0.71073","MoKα","","0.0978","0.0482","","","0.1188","0.1413","","","","","","1.026","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152952","10.3528","0.0004","10.3325","0.0003","18.7803","0.0007","90","","90","","90","","2008.93","0.12","123","1","123","1","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C21 H29 N3 O3 -","- C21 H29 N3 O3 -","- C84 H116 N12 O12 -","4","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0259","0.0242","","","0.0609","0.0624","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152953","6.8229","0.0001","19.0016","0.0003","8.4335","0.0001","90","","92.391","0.0007","90","","1092.42","0.03","123","1","123","1","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C26 H28 N4 O2 -","- C26 H28 N4 O2 -","- C52 H56 N8 O4 -","2","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0239","0.0236","","","0.0604","0.0606","","","","","","1.043","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152954","7.9993","0.0002","12.1497","0.0002","21.7198","0.0004","90","","90","","90","","2110.93","0.07","123","1","123","1","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H29 N3 O2 -","- C25 H29 N3 O2 -","- C100 H116 N12 O8 -","4","1","","Sinha, Mantosh K.; Khoury, Kareem; Herdtweck, Eberhardt; Dömling, Alexander","Various cyclization scaffolds by a truly Ugi 4-CR.","Organic & biomolecular chemistry","2013","11","29","4792","4796","10.1039/c3ob40523k","","","0.71073","MoKα","","0.0238","0.0235","","","0.0577","0.0581","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152955","22.3036","0.0006","15.0552","0.0005","31.5788","0.0009","90","","132.268","0.002","90","","7846.8","0.5","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C34 H54 F6 N O9 P -","- C34 H54 F6 N O9 P -","- C272 H432 F48 N8 O72 P8 -","8","2","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.1306","0.0896","","","0.2622","0.3046","","","","","","1.053","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152956","12.7822","0.0007","15.427","0.0008","19.5317","0.001","90","","91.937","0.005","90","","3849.3","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C35 H56 F6 N O9 P -","- C35 H56 F6 N O9 P -","- C140 H224 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.0818","0.0542","","","0.133","0.1525","","","","","","1.037","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152957","12.9587","0.0008","15.3868","0.0009","19.5493","0.0012","90","","92.997","0.006","90","","3892.7","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 F6 N O9 P -","- C36 H58 F6 N O9 P -","- C144 H232 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.0698","0.0442","","","0.099","0.1134","","","","","","1.026","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152958","9.3855","0.0006","21.1336","0.0013","20.3716","0.0013","90","","96.47","0.005","90","","4015","0.4","170","2","170","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H58 F6 N O9 P -","- C36 H58 F6 N O9 P -","- C144 H232 F24 N4 O36 P4 -","4","1","","Zheng, Bo; Zhang, Mingming; Yan, Xuzhou; Huang, Feihe","Threaded structures based on the benzo-21-crown-7/secondary ammonium salt recognition motif using esters as end groups.","Organic & biomolecular chemistry","2013","11","23","3880","3885","10.1039/c3ob40577j","","","0.71073","MoKα","","0.1074","0.0694","","","0.1663","0.1922","","","","","","1.033","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152959","8.7222","0.0003","9.0436","0.0003","28.4643","0.001","91.015","0.002","92.972","0.002","90.897","0.002","2241.59","0.13","150","2","150","2","","","","","","","","7","P -1","-P 1","2","","","","- C42 H41 F12 N9 O2 P2 Ru -","- C42 H41 F12 N9 O2 P2 Ru -","- C84 H82 F24 N18 O4 P4 Ru2 -","2","1","","Hvasanov, David; Mason, Alexander F.; Goldstein, Daniel C.; Bhadbhade, Mohan; Thordarson, Pall","Optimising the synthesis, polymer membrane encapsulation and photoreduction performance of Ru(ii)- and Ir(iii)-bis(terpyridine) cytochrome c bioconjugates.","Organic & biomolecular chemistry","2013","11","28","4602","4612","10.1039/c3ob40620b","","","0.71073","MoKα","","0.0671","0.0414","","","0.1051","0.1253","","","","","","0.83","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152960","8.633","0.0017","15.459","0.003","41.642","0.008","90","","93.22","0.03","90","","5548.7","1.9","293","2","293","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C52 H54 F12 N10 O6 P2 Ru -","- C52 H54 F12 N10 O6 P2 Ru -","- C208 H216 F48 N40 O24 P8 Ru4 -","4","1","","Hvasanov, David; Mason, Alexander F.; Goldstein, Daniel C.; Bhadbhade, Mohan; Thordarson, Pall","Optimising the synthesis, polymer membrane encapsulation and photoreduction performance of Ru(ii)- and Ir(iii)-bis(terpyridine) cytochrome c bioconjugates.","Organic & biomolecular chemistry","2013","11","28","4602","4612","10.1039/c3ob40620b","","","0.71073","Synchrotron","","0.0684","0.0591","","","0.1386","0.1438","","","","","","1.16","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152961","6.4489","0.0002","9.7481","0.0003","36.086","0.001","90","","90","","90","","2268.53","0.12","150","2","150","2","","","","","","","","5","P 2 21 21","P 2bc 2","18","","","","- C20 H26.5 F3 N3 O5.25 -","- C20 H26.5 F3 N3 O5.25 -","- C80 H106 F12 N12 O21 -","4","1","","Chaubet, Guilhem; Coursindel, Thibault; Morelli, Xavier; Betzi, Stéphane; Roche, Philippe; Guari, Yannick; Lebrun, Aurélien; Toupet, Loïc; Collette, Yves; Parrot, Isabelle; Martinez, Jean","Stereoselective synthesis of original spirolactams displaying promising folded structures.","Organic & biomolecular chemistry","2013","11","28","4719","4726","10.1039/c3ob40643a","","","0.71073","MoKα","","0.0714","0.0395","","","0.0808","0.0862","","","","","","0.829","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152962","20.1602","0.0018","6.005","0.0005","17.3601","0.0015","90","","115.257","0.002","90","","1900.7","0.3","298","2","298","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C22 H16 Br F N2 O -","- C22 H16 Br F N2 O -","- C88 H64 Br4 F4 N8 O4 -","4","1","","Xu, Hai-Wei; Fan, Wei; Li, Meng-Yuan; Jiang, Bo; Wang, Shu-Liang; Tu, Shu-Jiang","A novel domino strategy for forming poly-substituted quaternary imidazoles through a Cs2CO3-promoted aryl migration process.","Organic & biomolecular chemistry","2013","11","22","3603","3607","10.1039/c3ob40666k","","","0.71073","MoKα","","0.2596","0.1458","","","0.3382","0.3922","","","","","","1.002","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152963","17.1888","0.0015","7.7634","0.0006","19.7711","0.0018","90","","107.401","0.004","90","","2517.6","0.4","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.7107","MoKα","","0.0705","0.0475","","","0.137","0.1623","","","","","","1.029","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152964","5.4793","0.0018","20.849","0.007","17.361","0.006","90","","98.866","0.018","90","","1959.6","1.1","100","0.1","100","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H20 N2 O3 -","- C26 H20 N2 O3 -","- C104 H80 N8 O12 -","4","1","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.7107","MoKα","","0.2642","0.1245","","","0.2698","0.3401","","","","","","1.048","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152965","7.747","0.0005","26.153","0.0019","8.5985","0.0006","90","","108.664","0.003","90","","1650.5","0.2","100","1","100","1","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C80 H72 N8 O8 -","4","1","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.71073","MoKα","","0.0644","0.0429","","","0.098","0.107","","","","","","1.071","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152966","17.1588","0.0013","7.6525","0.0007","20.1851","0.0016","90","","107.382","0.003","90","","2529.4","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 N O -","- C18 H13 N O -","- C144 H104 N8 O8 -","8","2","","Chigrinova, Mariya; McKay, Craig S.; Beaulieu, Louis-Philippe B; Udachin, Konstantin A.; Beauchemin, André M; Pezacki, John Paul","Rearrangements and addition reactions of biarylazacyclooctynones and the implications to copper-free click chemistry.","Organic & biomolecular chemistry","2013","11","21","3436","3441","10.1039/c3ob40683k","","","0.71073","MoKα","","0.0487","0.0354","","","0.0965","0.1057","","","","","","1.044","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152967","5.3111","0.0003","11.1077","0.0006","19.5383","0.0013","90","","96.676","0.006","90","","1144.83","0.12","190","","190","","","","101","","","","","5","P 1 21 1","P 2yb","4","","","","- C11 H14 Cl N O3 -","- C11 H14 Cl N O3 -","- C44 H56 Cl4 N4 O12 -","4","2","","Kubelka, Tomáš; Slavětínská, Lenka; Eigner, Václav; Hocek, Michal","Synthesis of 2,6-disubstituted pyridin-3-yl C-2'-deoxyribonucleosides through chemoselective transformations of bromo-chloropyridine C-nucleosides.","Organic & biomolecular chemistry","2013","11","28","4702","4718","10.1039/c3ob40774h","","","1.54184","CuKα","","0.0383","0.0376","","0.095","0.0923","0.095","","","","","","1.0397","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152968","10.594","0.007","12.392","0.008","13.698","0.009","90","","105.41","0.02","90","","1734","2","270","2","270","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","7,7-Di(benzofuran-2-yl)-6-oxa-bicyclo[3.2.1]octan-4-ol","","","- C23 H18 O4 -","- C23 H18 O4 -","- C92 H72 O16 -","4","1","","Dhiman, Seema; Ramasastry, S. S. V.","Taming furfuryl cations for the synthesis of privileged structures and novel scaffolds.","Organic & biomolecular chemistry","2013","11","26","4299","4303","10.1039/c3ob40814k","","","0.71073","MoKα","","0.154","0.0569","","","0.1176","0.1534","","","","","","0.933","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152969","33.5085","0.0013","6.1892","0.0002","8.0369","0.0003","90","","90","","90","","1666.78","0.1","143","2","143","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C16 H30 O3 -","- C16 H30 O3 -","- C64 H120 O12 -","4","1","","Liao, Cang-Song; Tang, Chun-Ping; Yao, Sheng; Ye, Yang","Humulane-type sesquiterpenoids from Pilea cavaleriei subsp. crenata.","Organic & biomolecular chemistry","2013","11","29","4840","4846","10.1039/c3ob40872h","","","1.54178","CuKα","","0.0526","0.0516","","","0.1472","0.1478","","","","","","1.093","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152970","9.807","0.005","13.026","0.006","14.561","0.007","90","","96.029","0.008","90","","1849.8","1.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H25 N O3 S -","- C20 H23 N O3 S -","- C80 H92 N4 O12 S4 -","4","1","","Yang, Dingqiao; Xia, Jiuyun; Long, Yuhua; Zeng, Zhongyi; Zuo, Xiongjun; Wang, Sanyong; Li, Chunrong","Iridium-catalyzed asymmetric ring-opening of azabicyclic alkenes with alcohols.","Organic & biomolecular chemistry","2013","11","29","4871","4881","10.1039/c3ob40891d","","","0.71073","MoKα","","0.2585","0.0813","","","0.1339","0.158","","","","","","1.003","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152971","11.338","0.002","7.9222","0.0017","22.498","0.005","90","","94.389","0.004","90","","2014.9","0.7","100","","100","","","","","","","","dimethylsulfoxid","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H22 N2 O4 S2 -","- C21 H22 N2 O4 S2 -","- C84 H88 N8 O16 S8 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0513","0.0434","","","0.1124","0.1176","","","","","","1.101","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152972","10.3396","0.0003","11.1324","0.0003","18.123","0.0005","83.171","0.002","75.762","0.002","89.106","0.002","2007.42","0.1","100","","100","","","","","","","","dimethylsulfoxid","6","P -1","-P 1","2","","","","- C21 H22 Cl N3 O S -","- C21 H22 Cl N3 O S -","- C84 H88 Cl4 N12 O4 S4 -","4","2","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","1.54178","Cu-Kα","","0.0622","0.0414","","","0.0946","0.1051","","","","","","1.024","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152973","17.059","0.002","7.2199","0.0009","17.196","0.002","90","","99.489","0.002","90","","2089","0.4","100","","100","","","","","","","","dimethylsulfoxide","5","P 1 21/n 1","-P 2yn","14","","","","- C22 H27 N3 O S -","- C22 H27 N3 O S -","- C88 H108 N12 O4 S4 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0851","0.0491","","","0.1164","0.1354","","","","","","1.011","","","","has coordinates","276357","2022-06-28","17:15:13",""
"7152974","13.886","0.0015","9.6705","0.001","15.6885","0.0016","90","","99.869","0.002","90","","2075.5","0.4","100","","100","","","","","","","","hexane,pentane,ethylacetate","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H23 N3 O -","- C25 H23 N3 O -","- C100 H92 N12 O4 -","4","1","","Gulzar, Naeem; Klussmann, Martin","Aerobic C-H amination of tetrahydrocarbazole derivatives via photochemically generated hydroperoxides.","Organic & biomolecular chemistry","2013","11","27","4516","4520","10.1039/c3ob40919h","","","0.71073","Mo-Kα","","0.0659","0.0462","","","0.1233","0.1384","","","","","","1.028","","","","has coordinates,has disorder","276357","2022-06-28","17:15:13",""
"7152975","12.541","0.003","13.299","0.003","33.259","0.009","91.05","0.007","93.994","0.007","117.167","0.007","4915","2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C94 H132 N22 O10 -","- C94 H132 N22 O10 -","- C188 H264 N44 O20 -","2","1","","Bose, Purnandhu; Dutta, Ranjan; Ghosh, Pradyut","Tris(2-aminoethyl)amine based tripodal urea receptors for oxalate: encapsulation of staggered vs. planar conformers.","Organic & biomolecular chemistry","2013","11","28","4581","4584","10.1039/c3ob41071d","","","0.71073","MoKα","","0.1143","0.0965","","","0.2751","0.2884","","","","","","1.149","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152976","13.761","0.005","14.036","0.005","25.22","0.009","90","","103.68","0.01","90","","4733","3","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C44 H65 F4 N8 O5 -","- C44 H65 F4 N8 O5 -","- C176 H260 F16 N32 O20 -","4","1","","Bose, Purnandhu; Dutta, Ranjan; Ghosh, Pradyut","Tris(2-aminoethyl)amine based tripodal urea receptors for oxalate: encapsulation of staggered vs. planar conformers.","Organic & biomolecular chemistry","2013","11","28","4581","4584","10.1039/c3ob41071d","","","0.71073","MoKα","","0.1026","0.0783","","","0.2411","0.275","","","","","","1.063","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152977","8.9755","0.0009","6.9472","0.0005","9.1777","0.0009","90","","90.968","0.009","90","","572.19","0.09","170","","170","","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C10 H11 Br Cl N O3 -","- C10 H11 Br Cl N O3 -","- C20 H22 Br2 Cl2 N2 O6 -","2","1","","Kubelka, Tomáš; Slavětínská, Lenka; Eigner, Václav; Hocek, Michal","Synthesis of 2,6-disubstituted pyridin-3-yl C-2'-deoxyribonucleosides through chemoselective transformations of bromo-chloropyridine C-nucleosides.","Organic & biomolecular chemistry","2013","11","28","4702","4718","10.1039/c3ob40774h","","","1.54184","CuKα","","0.0375","0.0358","","0.0436","0.0423","0.0423","","","","","","1.0181","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152978","11.7359","0.0008","5.5595","0.0004","12.5993","0.0009","90","","90.641","0.002","90","","822","0.1","","","","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 N O3 S -","- C20 H17 N O3 S -","- C40 H34 N2 O6 S2 -","2","1","","Rout, Subhrajit; Ray, Sumit K.; Singh, Vinod K.","Enantioselective Mukaiyama-Michael with 2-enoyl pyridine N-oxides catalyzed by PYBOX-DIPH-Zn(ii)-complexes at ambient temperature.","Organic & biomolecular chemistry","2013","11","27","4537","4545","10.1039/c3ob40445e","","","","","","","","","","","","","","","","","","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152979","18.7511","0.0009","23.3396","0.0011","28.1926","0.0013","90","","90","","90","","12338.3","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-D-Pro-Ala-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl -alanyl-leucyl-phenylalanyl-valyl-methyl ester","","- C54 H78 N8 O12 -","- C54 H78 N8 O12 -","- C432 H624 N64 O96 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.2319","0.1208","","","0.2897","0.4029","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152980","18.88","0.003","24.579","0.004","28.78","0.005","90","","90","","90","","13355","4","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Phe-Val-D-Pro-Ac6c-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-1-amino-1-cyclohexane- 1-oyl-leucyl-phenylalanyl-valyl-methyl ester monohydrate 1,4 dioxnae solvate","","- C58 H88 N8 O12.5 -","- C58 H88 N8 O12.5 -","- C464 H704 N64 O100 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2345","0.1249","","","0.2262","0.2884","","","","","","0.961","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152981","14.4028","0.0008","18.9623","0.0011","25.4903","0.0017","90","","105.674","0.004","90","","6702.8","0.7","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D- prolyl-prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H84 N8 O11.5 -","- C56 H84 N8 O11.5 -","- C224 H336 N32 O46 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.1599","0.0959","","","0.2251","0.2737","","","","","","0.925","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152982","9.922","0.003","11.229","0.004","26.423","0.009","87.146","0.006","89.44","0.006","73.282","0.007","2815.9","1.6","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-Leu-Val-Val-D-Pro-Pro-Leu-Val-Val-OMe","t-Butyloxycarbonyl-leucyl-valyl-valyl-D-prolyl-prolyl-leucyl -valyl-valyl-methyl ester","","- C48 H84 N8 O11 -","- C48 H84 N8 O11 -","- C96 H168 N16 O22 -","2","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2671","0.1043","","","0.2187","0.2588","","","","","","0.904","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152983","18.41","0.02","23.22","0.03","19.24","0.03","90","","118.036","0.017","90","","7260","17","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Aib-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-alpha -aminoisobutyryl-leucyl-phenylalanyl-valyl-methyl ester","","- C57 H88 N8 O12.5 -","- C57 H88 N8 O12.5 -","- C228 H352 N32 O50 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.265","0.1012","","","0.2061","0.309","","","","","","0.865","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152984","18.095","0.0004","23.0316","0.0005","18.6368","0.0005","90","","117.471","0.002","90","","6891.2","0.3","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Phe-Val-D-Pro-Aib-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-phenylalanyl-valyl-D-prolyl-alpha -aminoisobutyryl-leucyl-phenylalanyl-valyl-methyl ester","","- C55 H84 N8 O11.5 -","- C55 H84 N8 O11.5 -","- C220 H336 N32 O46 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.1721","0.0915","","","0.2096","0.2644","","","","","","0.985","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152985","19.086","0.004","26.216","0.005","28.015","0.006","90","","90","","90","","14018","5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-Leu-Tyr-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-tyrosinyl-valyl-D-prolyl- prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H83.5 N8 O13.5 -","- C56 H83.5 N8 O13.5 -","- C448 H668 N64 O108 -","8","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","0.71073","MoKα","","0.2101","0.0989","","","0.2064","0.2713","","","","","","1.032","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152986","14.3184","0.0008","18.9924","0.0009","25.1569","0.0014","90","","105.59","0.004","90","","6589.5","0.6","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","Boc-Leu-Tyr-Val-D-Pro-Pro-Leu-Phe-Val-OMe","t-Butyloxycarbonyl-leucyl-tyrosinyl-valyl-D- prolyl-prolyl-leucyl-phenylalanyl-valyl-methyl ester","","- C56 H83 N8 O13.5 -","- C56 H83 N8 O13.5 -","- C224 H332 N32 O54 -","4","2","","Aravinda, Subrayashastry; Raghavender, Upadhyayula S.; Rai, Rajkishor; Harini, Veldore V.; Shamala, Narayanaswamy; Balaram, Padmanabhan","Analysis of designed β-hairpin peptides: molecular conformation and packing in crystals.","Organic & biomolecular chemistry","2013","11","25","4220","4231","10.1039/c3ob25777k","","","1.54178","CuKα","","0.2475","0.1249","","","0.2929","0.3664","","","","","","1.075","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7152987","8.6438","0.0003","7.4285","0.0002","8.7806","0.0004","90","","94.451","0.001","90","","562.11","0.04","293","2","293","2","","","","","","","synthesis as described","3","P 1 21 1","P 2yb","4","","","","- C13 H14 O5 -","- C13 H14 O5 -","- C26 H28 O10 -","2","1","","Rodier, Fabien; Parrain, Jean-Luc; Chouraqui, Gaëlle; Commeiras, Laurent","First studies directed towards the diastereoselective synthesis of the BCD tricyclic core of brownin F.","Organic & biomolecular chemistry","2013","11","25","4178","4185","10.1039/c3ob40363g","","x-ray","0.71073","MoKα","","0.0569","0.0434","","","0.1256","0.1548","","","","","","1.199","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152988","13.6639","0.0004","11.0259","0.0002","11.8705","0.0002","90","","106.134","0.001","90","","1717.94","0.07","293","2","293","2","","","","","","","synthesis as described","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H22 O7 -","- C18 H22 O7 -","- C72 H88 O28 -","4","1","","Rodier, Fabien; Parrain, Jean-Luc; Chouraqui, Gaëlle; Commeiras, Laurent","First studies directed towards the diastereoselective synthesis of the BCD tricyclic core of brownin F.","Organic & biomolecular chemistry","2013","11","25","4178","4185","10.1039/c3ob40363g","","x-ray","0.71073","MoKα","","0.1234","0.0645","","","0.17","0.2227","","","","","","1.139","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152989","6.8433","0.0018","18.424","0.005","20.221","0.005","90","","90","","90","","2549.5","1.2","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C24 H40 N3 O4 -","- C24 H40 N3 O4 -","- C96 H160 N12 O16 -","4","1","","Frantz, Marie-Céline; Skoda, Erin M.; Sacher, Joshua R.; Epperly, Michael W.; Goff, Julie P.; Greenberger, Joel S.; Wipf, Peter","Synthesis of analogs of the radiation mitigator JP4-039 and visualization of BODIPY derivatives in mitochondria.","Organic & biomolecular chemistry","2013","11","25","4147","4153","10.1039/c3ob40489g","","","0.71073","MoKα","","0.0707","0.0484","","","0.1258","0.1371","","","","","","1.1","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152990","17.9524","0.0003","6.2046","0.0001","14.3442","0.0002","90","","109.148","0.001","90","","1509.37","0.04","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C15 H14 F3 N3 O3 -","- C15 H14 F3 N3 O3 -","- C60 H56 F12 N12 O12 -","4","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0663","0.051","","","0.1278","0.1387","","","","","","1.036","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7152991","7.6951","0.0003","10.1134","0.0005","10.9054","0.0005","65.724","0.002","82.426","0.002","71.772","0.002","734.82","0.06","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N3 O3 -","- C16 H14 F3 N3 O3 -","- C32 H28 F6 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0503","0.038","","","0.1056","0.1129","","","","","","1.041","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152992","8.6849","0.0007","9.3993","0.0004","10.0441","0.0004","115.546","0.002","101.079","0.002","98.711","0.003","700.09","0.07","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C15 H12 Cl F2 N3 O3 -","- C15 H12 Cl F2 N3 O3 -","- C30 H24 Cl2 F4 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0487","0.0363","","","0.0995","0.1062","","","","","","1.052","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152993","12.2256","0.0008","6.8967","0.0004","12.7724","0.0008","90","","95.776","0.003","90","","1071.45","0.12","173","2","173","2","","","","","","","","6","P 1 21/m 1","-P 2yb","11","","","","- C18 H13 Cl3 F7 N3 O3 -","- C18 H13 Cl3 F7 N3 O3 -","- C36 H26 Cl6 F14 N6 O6 -","2","0.5","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0658","0.0478","","","0.1365","0.1491","","","","","","1.06","","","","has coordinates,has disorder","180315","2020-10-21","18:00:00",""
"7152994","8.5186","0.0003","9.1302","0.0003","19.1613","0.0006","90","","96.867","0.001","90","","1479.61","0.09","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C16 H16 F3 N3 O2 -","- C16 H16 F3 N3 O2 -","- C64 H64 F12 N12 O8 -","4","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0428","0.0368","","","0.1077","0.1119","","","","","","1.064","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152995","7.4835","0.0003","8.592","0.0003","11.4002","0.0004","92.445","0.002","104.16","0.002","93.761","0.002","707.9","0.05","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C16 H14 F3 N3 O3 -","- C16 H14 F3 N3 O3 -","- C32 H28 F6 N6 O6 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0472","0.039","","","0.1002","0.1053","","","","","","1.026","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152996","19.9679","0.0008","20.1167","0.0008","16.4722","0.0007","90","","111.103","0.002","90","","6172.9","0.4","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C16 H13 Cl F3 N3 O2 -","- C16 H13 Cl F3 N3 O2 -","- C256 H208 Cl16 F48 N48 O32 -","16","4","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0643","0.0418","","","0.1005","0.1095","","","","","","1.035","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152997","8.6107","0.0007","11.0873","0.001","11.3982","0.001","102.613","0.005","91.556","0.006","106.607","0.005","1012.95","0.16","173","2","173","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H22 F3 N3 O2 -","- C23 H22 F3 N3 O2 -","- C46 H44 F6 N6 O4 -","2","1","","Dudkin, Sergii; Iaroshenko, Viktor O.; Sosnovskikh, Vyacheslav Ya; Tolmachev, Andrey A.; Villinger, Alexander; Langer, Peter","Synthesis and reactivity of 5-polyfluoroalkyl-5-deazaalloxazines.","Organic & biomolecular chemistry","2013","11","32","5351","5361","10.1039/c3ob26837c","","","0.71073","MoKα","","0.0856","0.0495","","","0.1179","0.138","","","","","","1.012","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7152998","18.9332","0.0007","7.6655","0.0002","27.1733","0.0011","90","","90.302","0.003","90","","3943.7","0.2","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H16 Br N O5 -","- C22 H16 Br N O5 -","- C176 H128 Br8 N8 O40 -","8","1","","Chen, Lingzhu; Shen, Ruwei; Wu, Luling; Huang, Xian","Pd-catalyzed reaction of aryl halides and propargyl furylmethyl ethers: a novel pathway to functionalized dihydroisobenzofurans.","Organic & biomolecular chemistry","2013","11","35","5954","5962","10.1039/c3ob27503e","","","0.71073","MoKα","","0.0573","0.0381","","","0.0841","0.0931","","","","","","1.026","","","","has coordinates","198632","2020-10-21","18:00:00",""
"7152999","8.1105","0.0016","8.8677","0.0018","14.245","0.003","98.63","0.03","96.32","0.03","110.67","0.03","932.9","0.4","108","2","108","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H22 Cl N3 O4 -","- C20 H22 Cl N3 O4 -","- C40 H44 Cl2 N6 O8 -","2","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","The effect of the 4-amino functionality on the photophysical and DNA binding properties of alkyl-pyridinium derived 1,8-naphthalimides.","Organic & biomolecular chemistry","2013","11","34","5642","5655","10.1039/c3ob40370j","","","0.71073","MoKα","","0.073","0.0691","","","0.1633","0.1656","","","","","","1.22","","","","has coordinates","180315","2020-10-21","18:00:00",""
"7153000","8.8081","0.0004","9.2489","0.0004","14.9085","0.0006","85.58","0.002","89.039","0.002","62.137","0.002","1070.27","0.08","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 F6 N3 O2 P -","- C22 H22 F6 N3 O2 P -","- C44 H44 F12 N6 O4 P2 -","2","1","","Banerjee, Swagata; Kitchen, Jonathan A.; Gunnlaugsson, Thorfinnur; Kelly, John M.","The effect of the 4-amino functionality on the photophysical and DNA binding properties of alkyl-pyridinium derived 1,8-naphthalimides.","Organic & biomolecular chemistry","2013","11","34","5642","5655","10.1039/c3ob40370j","","","1.54178","CuKα","","0.0521","0.0496","","","0.1445","0.1468","","","","","","1.074","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153001","8.1508","0.0005","17.5996","0.0011","28.8453","0.0018","90","","90","","90","","4137.9","0.4","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C25 H27 N -","- C25 H27 N -","- C200 H216 N8 -","8","2","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1132","0.0541","","","0.1127","0.1371","","","","","","1.009","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153002","9.2834","0.0009","17.7729","0.0016","12.4895","0.0011","90","","96.089","0.002","90","","2049.1","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H26 F N -","- C25 H26 F N -","- C100 H104 F4 N4 -","4","1","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.0778","0.0517","","","0.1213","0.1347","","","","","","1.036","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153003","14.282","0.002","13.625","0.002","11.116","0.002","90","","98.879","0.003","90","","2137.2","0.6","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H26 F N -","- C25 H26 F N -","- C100 H104 F4 N4 -","4","1","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1816","0.0896","","","0.2297","0.279","","","","","","1.04","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153004","9.746","0.002","17.508","0.003","25.813","0.007","90","","90","","90","","4404.5","1.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N O3 -","- C21 H25 N O3 -","- C168 H200 N8 O24 -","8","2","","Jennings, W. Brian; O'Connell, Niamh; Malone, John F.; Boyd, Derek R.","An evaluation of substituent effects on aromatic edge-to-face interactions and CF-π versus CH-π interactions using an imino torsion balance model.","Organic & biomolecular chemistry","2013","11","32","5278","5291","10.1039/c3ob40535d","","","0.71073","MoKα","","0.1699","0.0967","","","0.2539","0.3081","","","","","","1.023","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153005","10.771","0.004","12.902","0.005","14.467","0.006","114.478","0.005","91.822","0.006","107.997","0.005","1710.3","1.2","160","2","160","2","","","","","","","","4","P -1","-P 1","2","","","","- C41 H44 N2 O4 -","- C41 H26 N2 O4 -","- C82 H52 N4 O8 -","2","1","","Laughlin, Brynna J.; Duniho, Tyler L.; El Homsi, Samantha J.; Levy, Benjamin E.; Deligonul, Nihal; Gaffen, Joshua R.; Protasiewicz, John D.; Tennyson, Andrew G.; Smith, Rhett C.","Comparison of 1,4-distyrylfluorene and 1,4-distyrylbenzene analogues: synthesis, structure, electrochemistry and photophysics.","Organic & biomolecular chemistry","2013","11","33","5425","5434","10.1039/c3ob40580j","","","0.71073","MoKα","","0.2965","0.0969","","","0.2391","0.349","","","","","","0.916","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153006","31.617","0.008","15.289","0.003","14.801","0.003","90","","108.297","0.006","90","","6793","3","160","2","160","2","","","","","","","","2","C 1 2/c 1","-C 2yc","15","","","","- C43 H50 -","- C43 H50 -","- C344 H400 -","8","1","","Laughlin, Brynna J.; Duniho, Tyler L.; El Homsi, Samantha J.; Levy, Benjamin E.; Deligonul, Nihal; Gaffen, Joshua R.; Protasiewicz, John D.; Tennyson, Andrew G.; Smith, Rhett C.","Comparison of 1,4-distyrylfluorene and 1,4-distyrylbenzene analogues: synthesis, structure, electrochemistry and photophysics.","Organic & biomolecular chemistry","2013","11","33","5425","5434","10.1039/c3ob40580j","","","0.71073","MoKα","","0.178","0.0682","","","0.1543","0.2268","","","","","","1.002","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153007","20.601","0.003","10.491","0.0013","24.723","0.006","90","","100.277","0.016","90","","5257.5","1.6","140","2","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound cone-2","","","- C51 H76 N6 O11 -","- C51 H76 N6 O11 -","- C204 H304 N24 O44 -","4","1","","Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions.","Organic & biomolecular chemistry","2013","11","33","5435","5442","10.1039/c3ob40601f","","","0.71073","Mo-Kα","","0.1544","0.0584","","","0.0884","0.1097","","","","","","0.886","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153008","20.7295","0.0017","12.6213","0.0004","37.718","0.003","90","","100.908","0.006","90","","9690","1.2","140","2","140","1","","","","","","","","4","P 1 21/a 1","-P 2yab","14","Compound partial-cone-2","","","- C51 H68 N6 O7 -","- C51 H68 N6 O7 -","- C408 H544 N48 O56 -","8","2","","Ni, Xin-Long; Jin, Cheng-Cheng; Jiang, Xue-Kai; Takimoto, Masashi; Rahman, Shofiur; Zeng, Xi; Hughes, David L.; Redshaw, Carl; Yamato, Takehiko","Tri-substituted hexahomotrioxacalix[3]arene derivatives bearing imidazole units: synthesis and extraction properties for cations and chromate anions.","Organic & biomolecular chemistry","2013","11","33","5435","5442","10.1039/c3ob40601f","","","0.71073","Mo-Kα","","0.1023","0.0508","","","0.0958","0.1087","","","","","","0.969","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153009","7.4467","0.0004","12.1591","0.0006","12.8432","0.0006","84.203","0.001","76.464","0.001","84.446","0.001","1121.59","0.1","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C27 H22 N2 O5 -","- C27 H22 N2 O5 -","- C54 H44 N4 O10 -","2","1","","Huang, Cheng-Mei; Jiang, Heng; Wang, Ru-Zhi; Quah, Ching Kheng; Fun, Hoong-Kun; Zhang, Yan","Photocycloadditions of substituted oxazoles with isoquinoline-1,3,4-trione-chemo-, regio-, diastereoselectivities and transformation of the photocycloadducts.","Organic & biomolecular chemistry","2013","11","30","5023","5033","10.1039/c3ob40645h","","","0.71073","MoKα","","0.0736","0.0466","","","0.1389","0.168","","","","","","1.046","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153010","6.8534","0.0005","9.4451","0.0005","9.3061","0.0006","90","","94.8","0.006","90","","600.28","0.07","295","2","295","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C11 H18 O4 -","- C11 H18 O4 -","- C22 H36 O8 -","2","1","","Bihelovic, Filip; Karadzic, Ivanka; Matovic, Radomir; Saicic, Radomir N.","Total synthesis and biological evaluation of (-)-atrop-abyssomicin C.","Organic & biomolecular chemistry","2013","11","33","5413","5424","10.1039/c3ob40692j","","","0.71073","MoKα","","0.0584","0.0316","","","0.054","0.0581","","","","","","0.917","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153011","9.0851","0.0018","13.86","0.003","16.244","0.003","105.68","0.03","106.12","0.03","99.11","0.03","1830.7","0.9","291","2","291","2","","","","","","","","4","P -1","-P 1","2","","","","- C40 H36 N2 S6 -","- C40 H36 N2 S6 -","- C80 H72 N4 S12 -","2","1","","Zheng, Ningjuan; Li, Hongda; Sun, Guangyan; Zhong, Keli; Yin, Bingzhu","Synthesis and properties of T-shaped organic conjugates based on 3,6-diarylpyridazine-fused tetrathiafulvalene.","Organic & biomolecular chemistry","2013","11","31","5100","5108","10.1039/c3ob40704g","","","0.71073","MoKα","","0.3287","0.1892","","","0.5106","0.553","","","","","","1.424","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153012","14.734","0.003","8.0689","0.0016","25.063","0.005","90","","105.52","0.03","90","","2871","1.1","273","2","273","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 N2 S6 -","- C28 H28 N2 S6 -","- C112 H112 N8 S24 -","4","1","","Zheng, Ningjuan; Li, Hongda; Sun, Guangyan; Zhong, Keli; Yin, Bingzhu","Synthesis and properties of T-shaped organic conjugates based on 3,6-diarylpyridazine-fused tetrathiafulvalene.","Organic & biomolecular chemistry","2013","11","31","5100","5108","10.1039/c3ob40704g","","","0.71073","MoKα","","0.1132","0.0562","","","0.116","0.1396","","","","","","1.026","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153013","10.9436","0.0005","11.0673","0.0006","11.6719","0.0005","94.869","0.004","113.495","0.004","104.707","0.004","1226.08","0.12","120","","120","","","","","","","","","4","P -1","-P 1","2","","(3aRS,6aRS)-6a-Hydroxy-2-(4-methylphenyl)-3a-[4-(4-methylphenyl)- 2H-1,2,3-triazol-2-yl]-3,5,6,6a-tetrahydropyrrolo[3,4-b]pyrrole-4(3H)-one","","- C26 H29 N5 O4 -","- C26 H29 N5 O4 -","- C52 H58 N10 O8 -","2","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","","0.7107","MoKα","Mo","0.0574","0.0458","","","0.1136","0.1232","","","","","","1.01","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153014","22.883","0.002","17.0326","0.0017","14.7571","0.0015","90","","124.209","0.002","90","","4756.6","0.8","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(3aRS,6aRS)-5-Acetyl-6a-hydroxy-2-(4-methylphenyl)-3a-[4- -(4-methylphenyl)-2H-1,2,3-triazol-2-yl]-3,5,6,6a-tetrahydropyrrolo[3,4-b] pyrrol-4(3H)-one ethyl acetate solvate (1:1)","","- C26 H27 N5 O4 -","- C26 H27 N5 O4 -","- C208 H216 N40 O32 -","8","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MoKα","K-L~3~","0.0925","0.0564","","","0.1507","0.1688","","","","","","1.024","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153015","11.2557","0.0003","7.9016","0.0002","21.4436","0.0006","90","","100.571","0.01","90","","1874.78","0.11","120","","120","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(3aRS,6aSR)-6a-Hydroxy-2-(4-methylphenyl)-3a-[4-(4-methylphenyl)- 1,2,3-triazol-2-yl]-6,6a-dihydro-3H-furo[3,4-b]pyrrol-4(3aH)-one","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C88 H80 N16 O12 -","4","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MOKα","K-L~3~","0.0659","0.0462","","","0.1201","0.1358","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153016","26.87","0.0009","14.9778","0.0005","10.1263","0.0004","90","","102.53","0.02","90","","3978.3","0.4","120","","120","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","(5RS,9SR)-3-(4-methylphenyl)-9-[4-(4-methylphenyl)-1,2,3-triazol-2-yl]- 1,7-dioxa-4-azaspiro[4.4]non-3-en-8-one","","- C22 H20 N4 O3 -","- C22 H20 N4 O3 -","- C176 H160 N32 O24 -","8","1","","Rostovskii, Nikolai V.; Novikov, Mikhail S.; Khlebnikov, Alexander F.; Korneev, Sergei M.; Yufit, Dmitry S.","Cu(ii)-catalyzed domino reaction of 2H-azirines with diazotetramic and diazotetronic acids. Synthesis of 2-substituted 2H-1,2,3-triazoles.","Organic & biomolecular chemistry","2013","11","33","5535","5545","10.1039/c3ob40708j","","x-ray","0.71073","MOKα","K-L~3~","0.0907","0.0553","","","0.1355","0.1551","","","","","","1.03","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153017","5.6971","0.0002","11.5145","0.0003","19.4201","0.0005","90","","90","","90","","1273.94","0.06","293","2","293","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C12 H20 O6 -","- C12 H20 O6 -","- C48 H80 O24 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.0292","0.0285","","","0.081","0.0823","","","","","","1.059","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153018","12.681","0.004","18.138","0.005","9.663","0.003","90","","96.551","0.007","90","","2208.1","1.2","296","2","296","2","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H28 O10 -","- C20 H28 O10 -","- C80 H112 O40 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.0565","0.0411","","","0.1033","0.1117","","","","","","1.031","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153019","10.298","0.004","11.735","0.005","22.178","0.009","90","","90","","90","","2680.1","1.9","110","2","110","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","","","- C27 H29 O8 -","- C27 H29 O8 -","- C108 H116 O32 -","4","1","","Vidyasagar, Adiyala; Pathigoolla, Atchutarao; Sureshan, Kana M.","Chemoselective alcoholysis/acetolysis of trans-ketals over cis-ketals and its application in the total synthesis of the cellular second messenger, d-myo-inositol-1,4,5-trisphosphate.","Organic & biomolecular chemistry","2013","11","33","5443","5453","10.1039/c3ob40789f","","","0.71073","MoKα","","0.1305","0.115","","","0.2318","0.2409","","","","","","1.196","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153020","12.3101","0.0017","8.8146","0.0013","14.675","0.002","90","","97.891","0.003","90","","1577.3","0.4","200","2","200","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl N2 O3 -","- C19 H13 Cl N2 O3 -","- C76 H52 Cl4 N8 O12 -","4","1","","Xia, Likai; Lee, Yong Rok","Efficient one-step synthesis of pyrrolo[3,4-c]quinoline-1,3-dione derivatives by organocatalytic cascade reactions of isatins and β-ketoamides.","Organic & biomolecular chemistry","2013","11","32","5254","5263","10.1039/c3ob40791h","","","0.71073","MoKα","","0.1194","0.0498","","","0.1131","0.1728","","","","","","1.079","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153021","8.6842","0.0005","8.7472","0.0006","18.5924","0.0013","90","","93.142","0.006","90","","1410.2","0.16","150","0.14","150","0.14","","","","","","","Synthesis","5","P 1 21 1","P 2yb","4","","","","- C26 H41 N O5 Si -","- C26 H41 N O5 Si -","- C52 H82 N2 O10 Si2 -","2","1","","Paños, Julián; Díaz-Oltra, Santiago; Sánchez-Peris, María; García-Pla, Jorge; Murga, Juan; Falomir, Eva; Carda, Miguel; Redondo-Horcajo, Mariano; Díaz, J Fernando; Barasoain, Isabel; Marco, J. Alberto","Synthesis and biological evaluation of truncated α-tubulin-binding pironetin analogues lacking alkyl pendants in the side chain or the dihydropyrone ring.","Organic & biomolecular chemistry","2013","11","35","5809","5826","10.1039/c3ob40854j","","","1.54184","CuKα","","0.0862","0.0757","","","0.2339","0.2405","","","","","","1.147","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153022","16.8022","0.0002","14.5818","0.0002","19.7887","0.0003","90","","93.414","0.001","90","","4839.75","0.11","293","2","293","2","","","","","","","","5","P 1 21/a 1","-P 2yab","14","","","","- C30 H18 Br N O3 -","- C30 H18 Br N O3 -","- C240 H144 Br8 N8 O24 -","8","2","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.1141","0.0608","","","0.1638","0.2162","","","","","","0.796","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153023","8.8458","0.0002","27.2982","0.0006","15.4284","0.0003","90","","92.079","0.001","90","","3723.11","0.14","200","2","200","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 Br Cl3 N O3 P -","- C36 H42 Br Cl3 N O3 P -","- C144 H168 Br4 Cl12 N4 O12 P4 -","4","1","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.1318","0.0712","","","0.1846","0.2346","","","","","","1.143","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153024","12.4196","0.0015","13.915","0.002","17.027","0.002","67.414","0.012","89.449","0.009","67.009","0.008","2466.7","0.6","200","2","200","2","","","","","","","","5","P -1","-P 1","2","","","","- C28 H22 Br N O3 -","- C28 H22 Br N O3 -","- C112 H88 Br4 N4 O12 -","4","2","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.2041","0.0821","","","0.2058","0.2642","","","","","","0.975","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153025","16.6326","0.0007","18.9665","0.0008","9.2524","0.0004","90","","97.506","0.002","90","","2893.8","0.2","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H22 Br2 O4 -","- C36 H22 Br2 O4 -","- C144 H88 Br8 O16 -","4","1","","Lee, Yu-Ting; Lee, Yen-Te; Lee, Chia-Jui; Sheu, Chia-Ning; Lin, Bo-Yu; Wang, Jeng-Han; Lin, Wenwei","Chemoselective synthesis of tetrasubstituted furans via intramolecular Wittig reactions: mechanism and theoretical analysis.","Organic & biomolecular chemistry","2013","11","31","5156","5161","10.1039/c3ob40858b","","","0.71073","MoKα","","0.0803","0.0428","","","0.0825","0.0977","","","","","","1.005","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153026","15.05","0.005","8.96","0.003","21.187","0.007","90","","90","","90","","2857","1.6","100","2","100","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","Annulated Coumarin","5,6-dihydro-4H-benzo[f]naptho[2,1-c]chromen-4-one","","- C21 H14 O2 -","- C21 H14 O2 -","- C168 H112 O16 -","8","1","","Goel, Atul; Taneja, Gaurav; Raghuvanshi, Ashutosh; Kant, Ruchir; Maulik, Prakas R.","Diversity-oriented general protocol for the synthesis of privileged oxygen scaffolds: pyrones, coumarins, benzocoumarins and naphthocoumarins.","Organic & biomolecular chemistry","2013","11","32","5239","5253","10.1039/c3ob40859k","","","0.71073","MoKα","","0.106","0.063","","","0.1501","0.204","","","","","","1.083","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153027","20.542","0.002","7.512","0.001","18.182","0.002","90","","109.593","0.001","90","","2643.2","0.5","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","Benzofuran","3-amino-6,7-dichloro-5-hydroxybenzofuran-2,4-dicarbonitrile","","- C12 H6 Cl2 N4 O2 -","- C12 H6 Cl2 N4 O2 -","- C96 H48 Cl16 N32 O16 -","8","1","","Goel, Atul; Taneja, Gaurav; Raghuvanshi, Ashutosh; Kant, Ruchir; Maulik, Prakas R.","Diversity-oriented general protocol for the synthesis of privileged oxygen scaffolds: pyrones, coumarins, benzocoumarins and naphthocoumarins.","Organic & biomolecular chemistry","2013","11","32","5239","5253","10.1039/c3ob40859k","","","0.7107","MoKα","","0.1133","0.0594","","","0.1331","0.166","","","","","","0.993","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153028","6.8659","0.0002","18.4844","0.0005","11.9993","0.0004","90","","103.118","0.003","90","","1483.12","0.08","190","","190","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","4-phenyl-7-(phenylthio)-5H-pyrrolo[3,2-d]pyrimidine","","- C18 H13 N3 S -","- C18 H13 N3 S -","- C72 H52 N12 S4 -","4","1","","Klečka, Martin; Pohl, Radek; Cejka, Jan; Hocek, Michal","Direct C-H sulfenylation of purines and deazapurines.","Organic & biomolecular chemistry","2013","11","31","5189","5193","10.1039/c3ob40881g","","x-ray","1.54184","CuKα","","0.0408","0.0369","","0.0484","0.0467","0.0467","","","","","","1.0035","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153029","5.9059","0.0003","13.568","0.0005","24.5309","0.0009","90","","91.499","0.004","90","","1965.02","0.14","190","","190","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","7-benzyl-4-phenyl-5-(phenylthio)-7H-pyrrolo[2,3-d]pyrimidine","","- C25 H19 N3 S -","- C25 H19 N3 S -","- C100 H76 N12 S4 -","4","1","","Klečka, Martin; Pohl, Radek; Cejka, Jan; Hocek, Michal","Direct C-H sulfenylation of purines and deazapurines.","Organic & biomolecular chemistry","2013","11","31","5189","5193","10.1039/c3ob40881g","","x-ray","1.54184","CuKα","","0.0463","0.0392","","0.0557","0.0502","0.0502","","","","","","1.0885","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153030","5.1378","0.0003","6.7876","0.0004","32.299","0.0017","90","","90","","90","","1126.37","0.11","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","compound 5b","","- C13 H16 O3 -","- C13 H16 O3 -","- C52 H64 O12 -","4","1","","Asta, Chimène; Schmidt, Dietmar; Conrad, Jürgen; Frey, Wolfgang; Beifuss, Uwe","Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones.","Organic & biomolecular chemistry","2013","11","34","5692","5701","10.1039/c3ob40926k","","","0.71073","MoKα","","0.0651","0.0521","","","0.1061","0.1102","","","","","","1.088","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153031","22.603","0.004","11.0296","0.0019","10.1777","0.0017","90","","90","","90","","2537.3","0.8","100","2","100","2","","","","","","","","3","P c a 21","P 2c -2ac","29","","compound 5d","","- C14 H18 O3 -","- C14 H18 O3 -","- C112 H144 O24 -","8","2","","Asta, Chimène; Schmidt, Dietmar; Conrad, Jürgen; Frey, Wolfgang; Beifuss, Uwe","Combination of enzyme- and Lewis acid-catalyzed reactions: a new method for the synthesis of 6,7-dihydrobenzofuran-4(5H)-ones starting from 2,5-dimethylfuran and 1,3-cyclohexanediones.","Organic & biomolecular chemistry","2013","11","34","5692","5701","10.1039/c3ob40926k","","","0.71073","MoKα","","0.1193","0.0606","","","0.1159","0.1283","","","","","","1.048","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153032","14.554","0.003","12.849","0.003","8.6466","0.0017","90","","90","","90","","1617","0.6","293","2","293","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C15 H18 N O5 P -","- C15 H18 N O5 P -","- C60 H72 N4 O20 P4 -","4","0.5","","Cai, Yan; Lu, Yuchen; Yu, Chengbin; Lyu, Hairong; Miao, Zhiwei","Combined C-H functionalization/O-H insertion reaction to form tertiary β-alkoxy substituted β-aminophosphonates catalyzed by [Cu(MeCN)4]PF6.","Organic & biomolecular chemistry","2013","11","33","5491","5499","10.1039/c3ob40941d","","","0.71073","MoKα","","0.0616","0.0501","","","0.145","0.157","","","","","","1.054","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153033","11.2588","0.0001","11.763","0.0002","12.8358","0.0002","90","","90","","90","","1699.94","0.04","120","2","120","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H25 N3 O2 -","- C21 H25 N3 O2 -","- C84 H100 N12 O8 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","1.54178","CuKα","","0.0344","0.0329","","","0.0849","0.0861","","","","","","1.068","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153034","8.047","0.0017","10.678","0.003","22.331","0.005","90","","90","","90","","1918.8","0.8","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N3 O3 -","- C22 H29 N3 O3 -","- C88 H116 N12 O12 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","0.71073","MoKα","","0.0727","0.0628","","","0.1275","0.1319","","","","","","1.131","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153035","10.6567","0.0003","13.9156","0.0004","24.7451","0.0006","90","","90","","90","","3669.56","0.17","120","2","120","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C41 H49 N3 O6 S -","- C41 H49 N3 O6 S -","- C164 H196 N12 O24 S4 -","4","1","","Simpkins, Nigel S.; Pavlakos, Ilias; Weller, Michael D.; Male, Louise","The cascade radical cyclisation approach to prenylated alkaloids: synthesis of stephacidin A and notoamide B.","Organic & biomolecular chemistry","2013","11","30","4957","4970","10.1039/c3ob40979a","","","1.54178","CuKα","","0.0336","0.0332","","","0.0921","0.0925","","","","","","1.045","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153036","38.342","0.003","38.342","0.003","5.7826","0.0004","90","","90","","90","","8501.1","1.1","173","2","173","2","","","","","","","","4","I 41/a :2","-I 4ad","88","","","","- C25 H27 N O2 -","- C25 H27 N O2 -","- C400 H432 N16 O32 -","16","1","","Ye, Juntao; Li, Suhua; Ma, Shengming","Gorlos-phos: addressing the stereoselectivity in palladium-catalyzed exo-mode cyclization of allenes with a nucleophilic functionality.","Organic & biomolecular chemistry","2013","11","32","5370","5373","10.1039/c3ob40983j","","","0.71073","MoKα","","0.0705","0.0447","","","0.0868","0.0966","","","","","","1.077","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153037","13.9084","0.0018","5.9803","0.0008","22.981","0.003","90","","105.356","0.004","90","","1843.2","0.4","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C21 H23 N O2 -","- C21 H23 N O2 -","- C84 H92 N4 O8 -","4","1","","Ye, Juntao; Li, Suhua; Ma, Shengming","Gorlos-phos: addressing the stereoselectivity in palladium-catalyzed exo-mode cyclization of allenes with a nucleophilic functionality.","Organic & biomolecular chemistry","2013","11","32","5370","5373","10.1039/c3ob40983j","","","0.71073","MoKα","","0.1043","0.0685","","","0.205","0.2462","","","","","","1.053","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153038","7.907","0.008","8.093","0.008","12.534","0.013","90","","101.397","0.009","90","","786.3","1.4","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H16 Br N O5 -","- C16 H16 Br N O5 -","- C32 H32 Br2 N2 O10 -","2","1","","Liu, Luping; Zhang, Dekui; Zhang, Panpan; Jiang, Xianxing; Wang, Rui","Catalytic highly asymmetric 1,5(6)-selective cyclization reaction of α-hydroxyimino cyclic ketones: direct approach to ring-fused hydroxyimino dihydropyrans.","Organic & biomolecular chemistry","2013","11","32","5222","5225","10.1039/c3ob41001c","","","0.71073","MoKα","","0.0783","0.0489","","","0.1106","0.1218","","","","","","1.009","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153039","5.8473","0.0006","36.267","0.004","20.608","0.002","90","","92.22","0.004","90","","4366.9","0.8","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C24.5 H23.5 Cl1.5 N5 -","- C24.5 H23.5 Cl1.5 N5 -","- C196 H188 Cl12 N40 -","8","2","","Feula, Antonio; Dhillon, Sundeep S.; Byravan, Rama; Sangha, Mandeep; Ebanks, Ronald; Hama Salih, Mariwan A.; Spencer, Neil; Male, Louise; Magyary, Istvan; Deng, Wei-Ping; Müller, Ferenc; Fossey, John S.","Synthesis of azetidines and pyrrolidines via iodocyclisation of homoallyl amines and exploration of activity in a zebrafish embryo assay.","Organic & biomolecular chemistry","2013","11","31","5083","5093","10.1039/c3ob41007b","","","0.71073","MoKα","","0.2538","0.138","","","0.2068","0.2569","","","","","","1.185","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153040","9.355","0.004","6.959","0.003","25.667","0.01","90","","94.226","0.006","90","","1666.4","1.2","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C80 H68 Cl4 O16 -","4","1","","Wang, Ze-Dong; Wang, Feng; Li, Xin; Cheng, Jin-Pei","N-heterocyclic carbene catalyzed annulation of benzofuran-2,3-diones and enals: a concise synthesis of spiro-bis-lactone.","Organic & biomolecular chemistry","2013","11","34","5634","5641","10.1039/c3ob41028e","","","0.71073","MoKα","","0.0628","0.0417","","","0.0964","0.1092","","","","","","0.991","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153041","11.874","0.006","14.457","0.007","10.519","0.005","90","","108.21","0.008","90","","1715.3","1.5","113","2","113","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 Cl O4 -","- C20 H17 Cl O4 -","- C80 H68 Cl4 O16 -","4","1","","Wang, Ze-Dong; Wang, Feng; Li, Xin; Cheng, Jin-Pei","N-heterocyclic carbene catalyzed annulation of benzofuran-2,3-diones and enals: a concise synthesis of spiro-bis-lactone.","Organic & biomolecular chemistry","2013","11","34","5634","5641","10.1039/c3ob41028e","","","0.71073","MoKα","","0.0425","0.0317","","","0.0772","0.0792","","","","","","1.057","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153042","11.9471","0.0004","9.6297","0.0003","18.1609","0.0006","90","","93.81","0.003","90","","2084.74","0.12","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R/S,5R/S)-methyl 3-acetamido-5-(dimethylcarbamoyl)-6-methyl-2-(phenylcarbamoyl)- 2,3,4,5-tetrahydropyridazine-3-carboxylate","","- C19 H25 N5 O5 -","- C19 H25 N5 O5 -","- C76 H100 N20 O20 -","4","1","","Giorgi, Gianluca; Favi, Gianfranco; Attanasi, Orazio A.","Insights into diastereoisomeric characterization of tetrahydropyridazine amino acid derivatives: crystal structures and gas phase ion chemistry.","Organic & biomolecular chemistry","2013","11","30","5006","5011","10.1039/c3ob41034j","","","0.71073","MoKα","","0.095","0.0424","","","0.0874","0.0961","","","","","","0.813","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153043","16.0057","0.0007","9.0537","0.0003","18.9373","0.0007","90","","111.479","0.004","90","","2553.64","0.18","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","(3R/S,5S/R)-methyl 3-acetamido-5-(dimethylcarbamoyl)-6-methyl-2-(phenylcarbamoyl)- 2,3,4,5-tetrahydropyridazine-3-carboxylate compound with ethyl acetate","","- C23 H33 N5 O7 -","- C23 H33 N5 O7 -","- C92 H132 N20 O28 -","4","1","","Giorgi, Gianluca; Favi, Gianfranco; Attanasi, Orazio A.","Insights into diastereoisomeric characterization of tetrahydropyridazine amino acid derivatives: crystal structures and gas phase ion chemistry.","Organic & biomolecular chemistry","2013","11","30","5006","5011","10.1039/c3ob41034j","","","0.71073","MoKα","","0.0991","0.0434","","","0.0931","0.1028","","","","","","0.809","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153044","10.3509","0.0006","11.7545","0.0007","15.0554","0.0009","90","","90","","90","","1831.79","0.19","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C80 H88 O12 S4 -","4","1","","Aitken, Harry R. M.; Furkert, Daniel P.; Hubert, Jonathan G.; Wood, James M.; Brimble, Margaret A.","Enantioselective access to benzannulated spiroketals using a chiral sulfoxide auxiliary.","Organic & biomolecular chemistry","2013","11","31","5147","5155","10.1039/c3ob41065j","","","0.71073","MoKα","","0.0483","0.0378","","","0.0793","0.084","","","","","","1.037","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153045","8.5909","0.0004","10.8998","0.0005","9.6997","0.0004","90","","104.215","0.003","90","","880.46","0.07","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H22 O3 S -","- C20 H22 O3 S -","- C40 H44 O6 S2 -","2","1","","Aitken, Harry R. M.; Furkert, Daniel P.; Hubert, Jonathan G.; Wood, James M.; Brimble, Margaret A.","Enantioselective access to benzannulated spiroketals using a chiral sulfoxide auxiliary.","Organic & biomolecular chemistry","2013","11","31","5147","5155","10.1039/c3ob41065j","","","0.71073","MoKα","","0.0408","0.0355","","","0.0785","0.0818","","","","","","1.038","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153046","25.558","0.003","4.5239","0.0005","23.971","0.003","90","","120.647","0.002","90","","2384.4","0.5","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C16 H9 N2 O -","- C16 H9 N2 O -","- C128 H72 N16 O8 -","8","1","","Nakhi, Ali; Rahman, Md Shafiqur; Seerapu, Guru Pavan Kumar; Banote, Rakesh Kumar; Kumar, Kummari Lalith; Kulkarni, Pushkar; Haldar, Devyani; Pal, Manojit","Transition metal free hydrolysis/cyclization strategy in a single pot: synthesis of fused furo N-heterocycles of pharmacological interest.","Organic & biomolecular chemistry","2013","11","30","4930","4934","10.1039/c3ob41069b","","","0.71073","MoKα","","0.0727","0.0545","","","0.1424","0.1561","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153047","11.6871","0.0005","12.8055","0.0007","14.7108","0.0006","94.246","0.004","91.367","0.003","113.935","0.005","2003.25","0.18","119.8","","119.8","","","","","","","","","4","P -1","-P 1","2","","","","- C46 H51 N O6 -","- C46 H51 N O6 -","- C92 H102 N2 O12 -","2","1","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","x-ray","1.5418","CuKα","","0.0448","0.0372","","","0.1017","0.1076","","","","1.74","1.74","1.68","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153048","13.4473","0.0002","30.0322","0.0005","16.7673","0.0003","90","","92.7714","0.0014","90","","6763.59","0.19","190","","190","","","","101","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C80 H94 O8 -","- C80 H94 O8 -","- C320 H376 O32 -","4","1","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","","1.54184","CuKα","","0.066","0.0552","","0.1007","0.0948","0.1007","","","","","","0.9574","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153049","38.668","0.001","9.91309","0.00018","38.2857","0.0009","90","","99.843","0.002","90","","14459.6","0.6","170","","170","","","","101","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C40 H47 Cl Hg O4 -","- C40 H47 Cl Hg O4 -","- C640 H752 Cl16 Hg16 O64 -","16","2","","Slavík, Petr; Flídrová, Karolína; Dvořáková, Hana; Eigner, Václav; Lhoták, Pavel","Meta-arylation of calixarenes using organomercurial chemistry.","Organic & biomolecular chemistry","2013","11","33","5528","5534","10.1039/c3ob41085d","","","1.5418","CuKα","","0.043","0.0407","","0.0944","0.0899","0.0944","","","","","","1.0165","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153050","28.7348","0.0014","5.8963","0.0002","23.3995","0.0008","90","","90.806","0.003","90","","3964.2","0.3","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H10 N2 -","- C13 H10 N2 -","- C208 H160 N32 -","16","4","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","1.54184","CuKα","","0.1073","0.0784","","","0.2092","0.2275","","","","","","1.048","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153051","6.8922","0.0004","9.1653","0.0006","10.6422","0.0006","74.573","0.005","74.634","0.005","71.501","0.005","602.44","0.07","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C13 H13 Cl N2 O -","- C13 H13 Cl N2 O -","- C26 H26 Cl2 N4 O2 -","2","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0446","0.035","","","0.0948","0.0981","","","","","","1.092","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153052","11.2615","0.0009","7.2071","0.0006","16.8121","0.0015","90","","101.751","0.008","90","","1335.9","0.2","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H15 Cl N2 O2 -","- C13 H15 Cl N2 O2 -","- C52 H60 Cl4 N8 O8 -","4","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0643","0.0393","","","0.0958","0.1002","","","","","","1.033","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153053","9.2369","0.0003","9.8428","0.0002","14.2265","0.0004","90","","103.321","0.003","90","","1258.63","0.06","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H9 I O2 -","- C15 H9 I O2 -","- C60 H36 I4 O8 -","4","1","","Dixon, Luke I.; Carroll, Michael A.; Gregson, Thomas J.; Ellames, George J.; Harrington, Ross W.; Clegg, William","Unprecedented regiochemical control in the formation of aryl[1,2-a]imidazopyridines from alkynyliodonium salts: mechanistic insights.","Organic & biomolecular chemistry","2013","11","35","5877","5884","10.1039/c3ob41112e","","","0.71073","MoKα","","0.0194","0.0166","","","0.0396","0.0403","","","","","","1.048","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153054","8.228","0.0016","8.35","0.0017","15.938","0.003","90","","99.9","0.03","90","","1078.7","0.4","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C21 H24 N4 O6 S -","- C21 H24 N4 O6 S -","- C42 H48 N8 O12 S2 -","2","1","","Kim, Ki Tae; Kim, Hyun Woo; Moon, Dohyun; Rhee, Young Min; Kim, Byeang Hyean","(DNS)C: a fluorescent, environmentally sensitive cytidine derivative for the direct detection of GGG triad sequences.","Organic & biomolecular chemistry","2013","11","34","5605","5614","10.1039/c3ob41222a","","","0.72999","synchrotron","","0.0434","0.0385","","","0.1072","0.1091","","","","","","1.061","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153055","18.6107","0.0004","5.73338","0.00013","19.3766","0.0004","90","","113.408","0.008","90","","1897.37","0.13","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C20 H23 Br O4 -","- C20 H23 Br O4 -","- C80 H92 Br4 O16 -","4","2","","Krishnamurthi, Janagiraman; Nambu, Hisanori; Takeda, Koji; Anada, Masahiro; Yamano, Akihito; Hashimoto, Shunichi","Enantioselective cycloaddition of carbonyl ylides with arylallenes using Rh2(S-TCPTTL)4.","Organic & biomolecular chemistry","2013","11","32","5374","5382","10.1039/c3ob41236a","","","1.54187","CuKα","","","0.0266","","","","0.0729","","","","","","1.122","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153056","11.8031","0.0006","12.1213","0.0006","14.0357","0.0007","91.493","0.001","113.899","0.001","111.558","0.001","1670.96","0.15","171","2","171","2","","","","","","","","7","P -1","-P 1","2","","","","- C35 H32 Cu F6 I N3 P -","- C35 H32 Cu F6 I N3 P -","- C70 H64 Cu2 F12 I2 N6 P2 -","2","1","","Saha, Manik Lal; Bats, Jan W.; Schmittel, Michael","Merging strong and weak coordination motifs in the integrative self-sorting of a 5-component trapezoid and scalene triangle.","Organic & biomolecular chemistry","2013","11","34","5592","5595","10.1039/c3ob41258j","","","0.71073","MoKα","","0.0431","0.0314","","","0.071","0.0754","","","","","","1.027","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153057","8.2718","0.0007","13.6799","0.0013","23.831","0.002","90","","90","","90","","2696.7","0.4","100","2","100","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C27 H25 F2 N O7 S2 -","- C27 H25 F2 N O7 S2 -","- C108 H100 F8 N4 O28 S8 -","4","1","","Dou, Xiaowei; Lu, Yixin","Enantioselective conjugate addition of 3-fluoro-oxindoles to vinyl sulfone: an organocatalytic access to chiral 3-fluoro-3-substituted oxindoles.","Organic & biomolecular chemistry","2013","11","32","5217","5221","10.1039/c3ob41267a","","","0.71073","MoKα","","0.0458","0.0402","","","0.0883","0.091","","","","","","1.028","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153058","8.4338","0.0001","15.4596","0.0003","15.6357","0.0003","90","","90","","90","","2038.63","0.06","150","2","150","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","Mattson 1860","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C96 H88 N8 O20 -","4","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0469","0.0348","","","0.0715","0.0761","","","","","","1.066","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153059","8.2132","0.0001","8.738","0.0001","15.5338","0.0003","84.567","0.001","79.398","0.001","67.733","0.001","1013.69","0.03","150","2","150","2","","","","","","","synthesis as described","4","P -1","-P 1","2","Mattson 1934","","","- C24 H22 N2 O5 -","- C24 H22 N2 O5 -","- C48 H44 N4 O10 -","2","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0613","0.0419","","","0.1054","0.1171","","","","","","1.047","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153060","7.3566","0.0002","8.0059","0.0002","9.006","0.0002","65.624","0.001","71.772","0.002","81.292","0.002","458.74","0.02","150","2","150","2","","","","","","","synthesis as described","4","P 1","P 1","1","Mattson 1932","","","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","- C22 H20 N2 O3 -","1","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0428","0.0367","","","0.0824","0.0863","","","","","","1.056","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153061","8.5784","0.00001","15.2797","0.0002","16.5909","0.0002","90","","90","","90","","2174.66","0.04","150","2","150","2","","","","","","","synthesis as described","5","P 21 21 21","P 2ac 2ab","19","Mattson 1956","","","- C24 H21 Cl N2 O5 -","- C24 H21 Cl N2 O5 -","- C96 H84 Cl4 N8 O20 -","4","1","","Hardman, Andrea M.; So, Sonia S.; Mattson, Anita E.","Urea-catalyzed construction of oxazinanes.","Organic & biomolecular chemistry","2013","11","35","5793","5797","10.1039/c3ob41517a","","x-ray","0.71073","MoKα","","0.0446","0.035","","","0.079","0.0838","","","","","","1.051","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153064","15.8817","0.0011","5.825","0.0004","16.5782","0.0012","90","","117.321","0.002","90","","1362.58","0.17","273","2","273","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C16 H12 Cl N3 O -","- C16 H12 Cl N3 O -","- C64 H48 Cl4 N12 O4 -","4","1","","Dong, Jing-Jun; Li, Qing-Shan; Wang, Shu-Fu; Li, Cui-Yun; Zhao, Xin; Qiu, Han-Yue; Zhao, Meng-Yue; Zhu, Hai-Liang","Synthesis, biological evaluation and molecular docking of novel 5-phenyl-1H-pyrazol derivatives as potential BRAF(V600E) inhibitors.","Organic & biomolecular chemistry","2013","11","37","6328","6337","10.1039/c3ob40776d","","","0.71073","MoKα","","0.0629","0.0391","","","0.0959","0.1063","","","","","","1.033","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153065","10.1259","0.0011","11.1866","0.0013","15.4918","0.0017","102.087","0.002","91.163","0.002","105.935","0.002","1644.3","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C66 H42 Cl12 N8 S2 -","- C66 H42 Cl12 N8 S2 -","- C66 H42 Cl12 N8 S2 -","1","0.5","","Ye, Qun; Chang, Jingjing; Huang, Kuo-Wei; Dai, Gaole; Chi, Chunyan","TCNQ-embedded heptacene and nonacene: synthesis, characterization and physical properties.","Organic & biomolecular chemistry","2013","11","37","6285","6291","10.1039/c3ob40796a","","","0.71073","MoKα","","0.0735","0.0535","","","0.1501","0.1632","","","","","","1.057","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153066","13.0937","0.0014","15.1874","0.0017","30.448","0.003","90","","98.319","0.003","90","","5991.2","1.1","100","2","100","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C66.5 H30.5 Cl7.5 F12 N4 -","- C66.5 H30.5 Cl7.5 F12 N4 -","- C266 H122 Cl30 F48 N16 -","4","1","","Ye, Qun; Chang, Jingjing; Huang, Kuo-Wei; Dai, Gaole; Chi, Chunyan","TCNQ-embedded heptacene and nonacene: synthesis, characterization and physical properties.","Organic & biomolecular chemistry","2013","11","37","6285","6291","10.1039/c3ob40796a","","","0.71073","MoKα","","0.0973","0.0633","","","0.1644","0.185","","","","","","1.084","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153067","9.401","0.005","10.6","0.006","10.8","0.006","107.79","0.006","95.207","0.007","106.667","0.007","962.8","0.9","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H17 Br N0 O2 -","- C25 H17 Br O2 -","- C50 H34 Br2 O4 -","2","1","","Rao, Yin; Yin, Guodong","AgOTf-catalyzed reactions of naphthols/substituted phenols with 2-hydroxychalcones: facile synthesis of di-aromatic ring-fused [3.3.1]bicyclic compounds.","Organic & biomolecular chemistry","2013","11","36","6029","6035","10.1039/c3ob40860d","","","0.71073","MoKα","","0.0603","0.0472","","","0.1276","0.1352","","","","","","1.029","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153068","13.5092","0.0005","8.1592","0.0003","19.6436","0.0008","90","","90","","90","","2165.2","0.14","100","2","100","2","","","","","","","","5","P n a 21","P 2c -2n","33","t2-132","","","- C25 H22 F N5 O2 -","- C25 H22 F N5 O2 -","- C100 H88 F4 N20 O8 -","4","1","","Gunawan, Steven; Hulme, Christopher","Bifunctional building blocks in the Ugi-azide condensation reaction: a general strategy toward exploration of new molecular diversity.","Organic & biomolecular chemistry","2013","11","36","6036","6046","10.1039/c3ob40900g","","","0.71073","MoKα","","0.0431","0.0356","","","0.0835","0.0879","","","","","","1.024","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153069","11.6513","0.0011","10.1496","0.0009","14.4797","0.0014","90","","102.588","0.002","90","","1671.2","0.3","200","2","200","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C84 H72 O20 -","4","1","","Xia, Likai; Lee, Yong Rok","A novel and efficient synthesis of diverse dihydronaphtho[1,2-b]furans using the ceric ammonium nitrate-catalyzed formal [3 + 2] cycloaddition of 1,4-naphthoquinones to olefins and its application to furomollugin.","Organic & biomolecular chemistry","2013","11","36","6097","6107","10.1039/c3ob40977e","","","0.71073","MoKα","","0.1596","0.0622","","","0.1185","0.1716","","","","","","0.97","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153070","18.757","0.002","10.025","0.0013","19.754","0.003","90","","114.543","0.003","90","","3378.9","0.8","200","2","200","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C21 H18 O5 -","- C21 H18 O5 -","- C168 H144 O40 -","8","1","","Xia, Likai; Lee, Yong Rok","A novel and efficient synthesis of diverse dihydronaphtho[1,2-b]furans using the ceric ammonium nitrate-catalyzed formal [3 + 2] cycloaddition of 1,4-naphthoquinones to olefins and its application to furomollugin.","Organic & biomolecular chemistry","2013","11","36","6097","6107","10.1039/c3ob40977e","","","0.71073","MoKα","","0.1104","0.0501","","","0.1092","0.1676","","","","","","1.018","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153071","9.5013","0.0005","10.0576","0.0005","10.2659","0.0005","63.494","0.002","85.295","0.003","77.804","0.003","858","0.08","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H15 Br N4 S -","- C19 H15 Br N4 S -","- C38 H30 Br2 N8 S2 -","2","1","","Lukmantara, Adeline Y.; Kalinowski, Danuta S.; Kumar, Naresh; Richardson, Des R.","Structure-activity studies of 4-phenyl-substituted 2'-benzoylpyridine thiosemicarbazones with potent and selective anti-tumour activity.","Organic & biomolecular chemistry","2013","11","37","6414","6425","10.1039/c3ob41109e","","","0.71073","MoKα","","0.0321","0.0247","","","0.0588","0.0621","","","","","","1.064","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153072","9.5261","0.0012","9.785","0.0011","11.566","0.002","101.101","0.006","106.02","0.006","115.357","0.004","874.4","0.2","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N4 S -","- C20 H18 N4 S -","- C40 H36 N8 S2 -","2","1","","Lukmantara, Adeline Y.; Kalinowski, Danuta S.; Kumar, Naresh; Richardson, Des R.","Structure-activity studies of 4-phenyl-substituted 2'-benzoylpyridine thiosemicarbazones with potent and selective anti-tumour activity.","Organic & biomolecular chemistry","2013","11","37","6414","6425","10.1039/c3ob41109e","","","0.71073","MoKα","","0.0808","0.0419","","","0.0832","0.096","","","","","","1.026","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153073","8.574","0.004","17.686","0.005","18.241","0.006","65.791","0.016","85.89","0.02","83.18","0.02","2504.1","1.6","100","2","100","2","","","","","","","Adolf Gogoll","5","P -1","-P 1","2","","","","- C53.15 H62.3 N2 O8.05 S2 -","- C53.15 H62.3 N2 O8.05 S2 -","- C106.3 H124.6 N4 O16.1 S4 -","2","1","","Norrehed, Sara; Erdélyi, Máté; Light, Mark E.; Gogoll, Adolf","Protonation-triggered conformational modulation of an N,N'-dialkylbispidine: first observation of the elusive boat-boat conformer.","Organic & biomolecular chemistry","2013","11","37","6292","6299","10.1039/c3ob41122b","","","0.71075","MoKα","","0.2367","0.156","","","0.3119","0.3626","","","","","","1.149","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7153074","9.0618","0.0012","11.3801","0.0015","12.3091","0.0016","73.216","0.002","85.2965","0.0019","67.465","0.002","1121.9","0.3","293","2","293","2","","","","","","","","3","P -1","-P 1","2","","","","- C28 H24 O6 -","- C28 H24 O6 -","- C56 H48 O12 -","2","1","","Song, Chuanling; Dong, Shuli; Feng, Lei; Peng, Xianglong; Wang, Mingchao; Wang, Jianwu; Xu, Zhenghu","Modular synthesis of all-substituted furans through oxidative carbonylation of cyclopropenes with tandem metal relay catalysis.","Organic & biomolecular chemistry","2013","11","37","6258","6262","10.1039/c3ob41155a","","","0.71073","MoKα","","0.0568","0.0396","","","0.0899","0.1012","","","","","","1.016","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153075","11.098","0.0005","6.7887","0.0004","15.8764","0.001","90","","98.064","0.005","90","","1184.32","0.12","296","1","296","1","","","","","","","","5","P 1 21/m 1","-P 2yb","11","","","","- C24 H24 N2 O S2 -","- C24 H24 N2 O S2 -","- C48 H48 N4 O2 S4 -","2","0.5","","Marco, A Belén; Andreu, Raquel; Franco, Santiago; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.; López Navarrete, Juan T; Casado, Juan","Push-pull systems bearing a quinoid/aromatic thieno[3,2-b]thiophene moiety: synthesis, ground state polarization and second-order nonlinear properties.","Organic & biomolecular chemistry","2013","11","37","6338","6349","10.1039/c3ob41278d","","","0.71073","MoKα","","0.0892","0.0552","","","0.1259","0.1458","","","","","","1.011","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153076","8.3982","0.0004","25.3341","0.0019","17.1667","0.0011","90","","97.599","0.005","90","","3620.3","0.4","150","1","150","1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 S2 -","- C20 H17 N3 S2 -","- C160 H136 N24 S16 -","8","2","","Marco, A Belén; Andreu, Raquel; Franco, Santiago; Garín, Javier; Orduna, Jesús; Villacampa, Belén; Diosdado, Beatriz E.; López Navarrete, Juan T; Casado, Juan","Push-pull systems bearing a quinoid/aromatic thieno[3,2-b]thiophene moiety: synthesis, ground state polarization and second-order nonlinear properties.","Organic & biomolecular chemistry","2013","11","37","6338","6349","10.1039/c3ob41278d","","","0.71073","MoKα","","0.1243","0.0654","","","0.1214","0.1487","","","","","","1.014","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153077","11.7899","0.0006","15.768","0.0007","15.298","0.0008","90","","90","","90","","2843.9","0.2","200","2","200","2","","","","","","","","4","P n a 21","P 2c -2n","33","","methyl 6-methyl-2-(6-methylpyridin-2-ylcarbamoyl)nicotinate","","- C15 H15 N3 O3 -","- C15 H15 N3 O3 -","- C120 H120 N24 O24 -","8","2","","Gottschalk, Sven; Engelmann, Jörn; Rolla, Gabriele A.; Botta, Mauro; Parker, David; Mishra, Anurag","Comparative in vitro studies of MR imaging probes for metabotropic glutamate subtype-5 receptor targeting.","Organic & biomolecular chemistry","2013","11","36","6131","6141","10.1039/c3ob41297k","","","0.71073","MoKα","","0.0583","0.0422","","","0.1025","0.1198","","","","","","1.068","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153078","8.6627","0.0012","13.7443","0.0019","23.277","0.003","90","","90","","90","","2771.4","0.6","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C31 H36 N2 O4 -","- C31 H36 N2 O4 -","- C124 H144 N8 O16 -","4","1","","Liu, Gang; Li, Jian; Qiu, Lin; Liu, Li; Xu, Guangyang; Ma, Bing; Sun, Jiangtao","Palladium-catalyzed carbenoid based N-H bond insertions: application to the synthesis of chiral α-amino esters.","Organic & biomolecular chemistry","2013","11","36","5998","6002","10.1039/c3ob41331d","","","0.71073","MoKα","","0.0611","0.0489","","","0.116","0.1232","","","","","","1.008","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153079","16.9366","0.0009","17.1465","0.0007","17.6534","0.0009","90","","109.578","0.006","90","","4830.2","0.4","293","2","293","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C15 H12 N2 -","- C15 H12 N2 -","- C240 H192 N32 -","16","2","","Tang, Meng; Zhang, Wen; Kong, Yuanfang","DABCO-promoted synthesis of pyrazoles from tosylhydrazones and nitroalkenes.","Organic & biomolecular chemistry","2013","11","37","6250","6254","10.1039/c3ob41435c","","","0.7107","MoKα","","0.0932","0.0552","","","0.1252","0.1504","","","","","","0.981","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153080","9.7691","0.0004","9.7691","0.0004","39.742","0.003","90","","90","","120","","3284.7","0.3","173","2","173","2","","","","","","","","5","P 31 2 1","P 31 2""","152","","","","- C26 H21 Br N2 O2 -","- C26 H21 Br N2 O2 -","- C156 H126 Br6 N12 O12 -","6","1","","Zhang, Han-Ming; Lv, Hui; Ye, Song","N-Heterocyclic carbene-catalyzed highly enantioselective synthesis of substituted dihydropyranopyrazolones.","Organic & biomolecular chemistry","2013","11","37","6255","6257","10.1039/c3ob41455h","","","0.71073","MoKα","","0.0426","0.0393","","","0.0856","0.0872","","","","","","1.15","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153085","8.4737","0.0003","16.6247","0.0005","28.3411","0.0009","90","","93.637","0.002","90","","3984.4","0.2","135","0.1","135","0.1","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C21 H26 N4 O5 -","- C21 H26 N4 O5 -","- C168 H208 N32 O40 -","8","1","","Li, Xianghui; Jia, Yiming; Ren, Yi; Wang, Youjia; Hu, Jinchuan; Ma, Teng; Feng, Wen; Yuan, Lihua","Quadruply hydrogen-bonded heteroduplexes based on imide and urea units arrayed with ADDA/DAAD sequences.","Organic & biomolecular chemistry","2013","11","40","6975","6983","10.1039/c3ob40998h","","","0.7107","MoKα","","0.0532","0.0405","","","0.0927","0.1014","","","","","","1.026","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153086","3.8013","0.0007","11.882","0.003","13.31","0.004","90","","90.41","0.03","90","","601.2","0.3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H10 F2 N2 -","- C16 H10 F2 N2 -","- C32 H20 F4 N4 -","2","0.5","","Chen, Zhengwang; Ye, Dongnai; Xu, Guohai; Ye, Min; Liu, Liangxian","Highly efficient synthesis of 2,5-disubstituted pyrazines from (Z)-β-haloenol acetates.","Organic & biomolecular chemistry","2013","11","39","6699","6702","10.1039/c3ob41164h","","","0.71073","MoKα","","0.1215","0.0599","","","0.1097","0.1392","","","","","","0.986","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153087","7.8405","0.0013","9.2163","0.0012","15.484","0.002","96.813","0.011","90.713","0.013","104.161","0.013","1076.2","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C29 H20 N4 O -","- C29 H20 N4 O -","- C58 H40 N8 O2 -","2","1","","Berezin, Andrey A.; Constantinides, Christos P.; Mirallai, Styliana I.; Manoli, Maria; Cao, Levy L.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","Synthesis and properties of imidazolo-fused benzotriazinyl radicals.","Organic & biomolecular chemistry","2013","11","39","6780","6795","10.1039/c3ob41169a","","","1.54184","CuKα","","0.061","0.0471","","","0.1211","0.1323","","","","","","1.028","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153088","7.8924","0.0008","11.3721","0.0009","13.2802","0.0012","96.019","0.007","90.262","0.008","96.237","0.008","1178.2","0.19","100.05","0.1","100","2","","","","","","","","3","P -1","-P 1","2","","","","- C32 H22 N5 -","- C32 H22 N5 -","- C64 H44 N10 -","2","1","","Berezin, Andrey A.; Constantinides, Christos P.; Mirallai, Styliana I.; Manoli, Maria; Cao, Levy L.; Rawson, Jeremy M.; Koutentis, Panayiotis A.","Synthesis and properties of imidazolo-fused benzotriazinyl radicals.","Organic & biomolecular chemistry","2013","11","39","6780","6795","10.1039/c3ob41169a","","","1.54184","CuKα","","0.0526","0.0452","","","0.1272","0.1357","","","","","","1.043","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153089","6.176","0.008","11.293","0.015","12.236","0.016","90","","90","","90","","853.4","1.9","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C20 H28 O2 -","- C20 H28 O2 -","- C40 H56 O4 -","2","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.1648","0.0787","","","0.1571","0.1937","","","","","","0.896","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153090","7.2458","0.0009","7.571","0.0009","34.793","0.004","90","","90","","90","","1908.7","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0502","0.0374","","","0.0804","0.0871","","","","","","1.039","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153091","6.2123","0.0008","14.7435","0.0019","20.723","0.003","90","","90","","90","","1898","0.4","273","2","273","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C23 H30 O3 -","- C23 H30 O3 -","- C92 H120 O12 -","4","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0407","0.0351","","","0.0822","0.0858","","","","","","1.029","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153092","6.9415","0.0009","13.2918","0.0017","10.6904","0.0014","90","","96.511","0.002","90","","980","0.2","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C24 H30 O3 -","- C24 H30 O3 -","- C48 H60 O6 -","2","1","","Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian","A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.","Organic & biomolecular chemistry","2013","11","38","6597","6603","10.1039/c3ob41211c","","","0.71073","MoKα","","0.0401","0.0357","","","0.0873","0.0896","","","","","","1.487","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153093","8.6456","0.0003","20.4565","0.0005","9.964","0.0003","90","","105.672","0.004","90","","1696.71","0.09","297","2","297","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H14 I N O -","- C21 H14 I N O -","- C84 H56 I4 N4 O4 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0524","0.0308","","","0.0663","0.0699","","","","","","0.987","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153094","15.674","0.0011","8.2808","0.0006","28.5842","0.0019","90","","101.695","0.001","90","","3633","0.4","297","2","297","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C21 H13 Cl I N O -","- C21 H13 Cl I N O -","- C168 H104 Cl8 I8 N8 O8 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.033","0.0288","","","0.0751","0.0778","","","","","","1.052","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153095","31.568","0.005","5.7418","0.0008","23.028","0.003","90","","105.641","0.003","90","","4019.4","1","297","2","297","2","","","","","","","","7","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 Cl F3 I N O -","- C22 H12 Cl F3 I N O -","- C176 H96 Cl8 F24 I8 N8 O8 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0748","0.037","","","0.073","0.0832","","","","","","0.979","","","","has coordinates,has disorder","180316","2020-10-21","18:00:00",""
"7153096","6.8137","0.0003","10.3948","0.0005","24.8522","0.0012","90","","96.933","0.004","90","","1747.34","0.14","110","2","110","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 I N2 O3 -","- C19 H17 I N2 O3 -","- C76 H68 I4 N8 O12 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0732","0.07","","","0.1984","0.1996","","","","","","1.288","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153097","5.356","0.0002","11.4646","0.0007","15.8424","0.001","107.043","0.006","96.345","0.004","98.308","0.004","908.22","0.09","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H17 F3 I N O -","- C20 H17 F3 I N O -","- C40 H34 F6 I2 N2 O2 -","2","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0237","0.0201","","","0.048","0.0486","","","","","","1.013","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153098","6.6498","0.0004","20.2549","0.0011","14.0362","0.0008","90","","98.404","0.001","90","","1870.25","0.19","297","2","297","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H17 I N2 O3 Si -","- C18 H17 I N2 O3 Si -","- C72 H68 I4 N8 O12 Si4 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0338","0.0276","","","0.0746","0.0786","","","","","","1.025","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153099","8.1298","0.0002","10.69","0.0003","11.1738","0.0003","80.375","0.002","87.307","0.002","73.916","0.002","919.94","0.04","110","2","110","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H13 F3 I N O -","- C22 H13 F3 I N O -","- C44 H26 F6 I2 N2 O2 -","2","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0299","0.0243","","","0.0599","0.0611","","","","","","0.994","","","","has coordinates","180316","2020-10-21","18:00:00",""
"7153100","31.297","0.003","8.1567","0.0007","18.7872","0.0016","90","","119.988","0.002","90","","4154","0.6","297","2","297","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H17 N3 O3 -","- C26 H17 N3 O3 -","- C208 H136 N24 O24 -","8","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.0748","0.0431","","","0.1128","0.1319","","","","","","1.009","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153101","12.0042","0.0003","14.4363","0.0003","12.433","0.0004","90","","106.177","0.003","90","","2069.28","0.1","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H18 N2 O4 -","- C27 H18 N2 O4 -","- C108 H72 N8 O16 -","4","1","","Vandavasi, Jaya Kishore; Kuo, Kung-Kai; Hu, Wan-Ping; Shen, Ho-Chanu; Lo, Wei-Sheng; Wang, Jeh-Jeng","A convenient method to construct (Z)-oxazines via 6-exo-dig iodocyclization and synthesis of indolin-3-one.","Organic & biomolecular chemistry","2013","11","38","6520","6525","10.1039/c3ob41272e","","x-ray","0.71073","MoKα","","0.066","0.0364","","","0.0674","0.0698","","","","","","1.182","","","","has coordinates","198633","2020-10-21","18:00:00",""
"7153102","12.839","0.004","12.86","0.004","16.021","0.005","76.149","0.004","87.883","0.004","88.339","0.004","2566","1.4","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 Eu2 N6 O26 S2 -","- C76 H74 Br6 Eu2 N6 O26 S2 -","- C76 H74 Br6 Eu2 N6 O26 S2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.1028","0.0623","","","0.1417","0.1567","","","","","","0.932","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153103","12.838","0.002","12.867","0.002","16.039","0.003","76.149","0.002","87.85","0.002","88.362","0.002","2570.1","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 Gd2 N6 O26 S2 -","- C76 H74 Br6 Gd2 N6 O26 S2 -","- C76 H74 Br6 Gd2 N6 O26 S2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.0688","0.0443","","","0.0846","0.0907","","","","","","0.903","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153104","12.818","0.002","12.868","0.002","16.038","0.003","76.169","0.002","87.766","0.002","88.385","0.002","2566.2","0.7","296","2","296","2","","","","","","","","7","P -1","-P 1","2","","","","- C76 H74 Br6 N6 O26 S2 Tb2 -","- C76 H74 Br6 N6 O26 S2 Tb2 -","- C76 H74 Br6 N6 O26 S2 Tb2 -","1","0.5","","Yang, Yan-Ling; Wang, Ya-Wen; Duan, Dong-Zhu; Zhang, Ai-Jiang; Fang, Jian-Guo; Peng, Yu","Off-on-off fluorescent chemosensor for pH measurement with a terbium(iii) complex based on a tripodal salicylic-acid derivative.","Organic & biomolecular chemistry","2013","11","40","6960","6966","10.1039/c3ob41319e","","","0.71073","MoKα","","0.0674","0.0468","","","0.128","0.138","","","","","","0.858","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153105","9.1921","0.0013","14.0304","0.0018","9.0659","0.0013","90","","114.463","0.004","90","","1064.3","0.3","101","2","101","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H16 O2 -","- C13 H16 O2 -","- C52 H64 O8 -","4","1","","Sanz, Xavier; Lee, Graham M.; Pubill-Ulldemolins, Cristina; Bonet, Amadeu; Gulyás, Henrik; Westcott, Stephen A.; Bo, Carles; Fernández, Elena","Metal-free borylative ring-opening of vinyl epoxides and aziridines.","Organic & biomolecular chemistry","2013","11","40","7004","7010","10.1039/c3ob41328d","","","0.71073","MoKα","","0.0627","0.0432","","","0.1009","0.1105","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153106","6.1713","0.0001","12.5187","0.0003","19.7716","0.0005","90","","90","","90","","1527.49","0.06","150","","150","","","","","","","","total synthesis","4","P 2 21 21","P 2bc 2","18","","","","- C13 H18 N3 O6 -","- C13 H18 N3 O6 -","- C52 H72 N12 O24 -","4","1","","Glawar, Andreas F. G.; Jenkinson, Sarah F.; Newberry, Scott J.; Thompson, Amber L.; Nakagawa, Shinpei; Yoshihara, Akihide; Akimitsu, Kazuya; Izumori, Ken; Butters, Terry D.; Kato, Atsushi; Fleet, George W. J.","An approach to 8 stereoisomers of homonojirimycin from d-glucose via kinetic & thermodynamic azido-γ-lactones.","Organic & biomolecular chemistry","2013","11","40","6886","6899","10.1039/c3ob41334a","","","0.71073","MoKα","","0.0579","0.0395","","0.1036","0.0853","0.1036","","","","","","0.9854","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153107","7.36955","0.00008","8.40431","0.00011","24.1914","0.0003","90","","90","","90","","1498.32","0.03","150","","150","","","","","","","","total synthesis","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H19 N3 O6 -","- C13 H19 N3 O6 -","- C52 H76 N12 O24 -","4","1","","Glawar, Andreas F. G.; Jenkinson, Sarah F.; Newberry, Scott J.; Thompson, Amber L.; Nakagawa, Shinpei; Yoshihara, Akihide; Akimitsu, Kazuya; Izumori, Ken; Butters, Terry D.; Kato, Atsushi; Fleet, George W. J.","An approach to 8 stereoisomers of homonojirimycin from d-glucose via kinetic & thermodynamic azido-γ-lactones.","Organic & biomolecular chemistry","2013","11","40","6886","6899","10.1039/c3ob41334a","","","1.54184","CuKα","","0.0246","0.024","","0.0623","0.0618","0.0623","","","","","","1.0121","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153108","9.6249","0.0018","9.9872","0.0019","26.39","0.005","90","","92.252","0.003","90","","2534.8","0.8","278","2","278","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C28 H25 Cl N6 O -","- C28 H25 Cl N6 O -","- C112 H100 Cl4 N24 O4 -","4","1","","Gordillo-Cruz, Raul E; Rentería-Gómez, Angel; Islas-Jácome, Alejandro; Cortes-García, Carlos J; Díaz-Cervantes, Erik; Robles, Juvencio; Gámez-Montaño, Rocío","Synthesis of 3-tetrazolylmethyl-azepino[4,5-b]indol-4-ones in two reaction steps: (Ugi-azide/N-acylation/SN2)/free radical cyclization and docking studies to a 5-Ht6 model.","Organic & biomolecular chemistry","2013","11","38","6470","6476","10.1039/c3ob41349g","","","0.71073","MoKα","","0.1875","0.0449","","","0.0416","0.0581","","","","","","0.736","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153109","14.1444","0.0014","15.9217","0.0016","16.094","0.0016","90","","112.638","0.002","90","","3345.2","0.6","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6.25 -","- C35 H38 Br N5 O6.125 -","- C140 H152 Br4 N20 O24.5 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.036","0.0316","","","0.0714","0.0872","","","","","","0.962","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153110","14.1383","0.0003","15.9256","0.0003","16.0775","0.0004","90","","112.556","0.001","90","","3343.11","0.13","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6.125 -","- C140 H152 Br4 N20 O24.5 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.031","0.0265","","","0.0602","0.0615","","","","","","1.044","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153111","11.2385","0.0014","9.231","0.0011","32.8","0.004","90","","99.779","0.002","90","","3353.3","0.7","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6 -","- C140 H152 Br4 N20 O24 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.0438","0.0402","","","0.0921","0.0942","","","","","","1.051","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153112","11.2356","0.0006","9.2098","0.0005","32.8244","0.0016","90","","99.774","0.002","90","","3347.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","peptide","","","- C35 H38 Br N5 O6 -","- C35 H38 Br N5 O6 -","- C140 H152 Br4 N20 O24 -","4","2","","Ramesh, Veera V. E.; Vijayadas, Kuruppanthara N.; Dhokale, Snehal; Gonnade, Rajesh G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Switching the H-bonding network of a foldamer by modulating the backbone chirality and constitutional ratio of amino acids.","Organic & biomolecular chemistry","2013","11","41","7072","7075","10.1039/c3ob41369a","","","0.71073","MoKα","","0.0329","0.0271","","","0.0516","0.0529","","","","","","0.987","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153113","17.229","0.003","8.704","0.0009","12.324","0.0012","90","","103.236","0.002","90","","1799","0.4","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 F3 N O -","- C22 H18 F3 N O -","- C88 H72 F12 N4 O4 -","4","1","","Liu, Xiao; Xu, Xianxiu; Pan, Ling; Zhang, Qian; Liu, Qun","Efficient synthesis of trifluoromethylated cyclopentadienes/fulvenes/norbornenes from divinyl ketones.","Organic & biomolecular chemistry","2013","11","39","6703","6706","10.1039/c3ob41400k","","","0.71069","MoKα","","0.1328","0.0564","","","0.137","0.1696","","","","","","1.005","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153114","8.8865","0.0005","9.3125","0.0003","10.946","0.0005","90.733","0.003","112.772","0.005","97.43","0.004","826.26","0.07","120","2","120","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H17 N3 O3 -","- C19 H17 N3 O3 -","- C38 H34 N6 O6 -","2","1","","Day, Jonathan; Uroos, Maliha; Castledine, Richard A.; Lewis, William; McKeever-Abbas, Ben; Dowden, James","Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.","Organic & biomolecular chemistry","2013","11","38","6502","6509","10.1039/c3ob41415a","","","1.54184","CuKα","","0.0371","0.0346","","","0.0883","0.0903","","","","","","1.052","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153115","8.5537","0.0012","9.056","0.0014","16.2097","0.0017","83.982","0.011","81.361","0.011","67.758","0.014","1147.4","0.3","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H27 Br N2 O6 -","- C23 H27 Br N2 O6 -","- C46 H54 Br2 N4 O12 -","2","1","","Day, Jonathan; Uroos, Maliha; Castledine, Richard A.; Lewis, William; McKeever-Abbas, Ben; Dowden, James","Alkaloid inspired spirocyclic oxindoles from 1,3-dipolar cycloaddition of pyridinium ylides.","Organic & biomolecular chemistry","2013","11","38","6502","6509","10.1039/c3ob41415a","","","1.54184","CuKα","","0.1471","0.0804","","","0.1716","0.2241","","","","","","1.066","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153116","12.1265","0.0005","9.34","0.0003","21.7279","0.0007","90","","92.861","0.003","90","","2457.87","0.15","291","2","291","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C26 H25 N3 O6 S -","- C26 H25 N3 O6 S -","- C104 H100 N12 O24 S4 -","4","1","","Feng, Chengtao; Su, Ji-Hu; Yan, Yizhe; Guo, Fengfeng; Wang, Zhiyong","Cobalt-catalyzed oxidative [3 + 2] cycloaddition reactions: an efficient synthesis of pyrrolo- and imidazo-[2,1-a]isoquinolines.","Organic & biomolecular chemistry","2013","11","39","6691","6694","10.1039/c3ob41424h","","","0.71073","MoKα","","0.0838","0.0502","","","0.1073","0.1229","","","","","","1.023","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153117","7.7952","0.0016","13.733","0.003","21.171","0.004","90","","90","","90","","2266.4","0.8","291","2","291","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H22 Br N O5 S -","- C23 H22 Br N O5 S -","- C92 H88 Br4 N4 O20 S4 -","4","1","","Zou, Gong-Feng; Pan, Feng; Liao, Wei-Wei","Lewis base catalyzed asymmetric substitution/Diels-Alder cascade reaction: a rapid and efficient construction of enantioenriched diverse tricyclic heterocycles.","Organic & biomolecular chemistry","2013","11","41","7080","7083","10.1039/c3ob41454j","","","0.71073","MoKα","","0.0475","0.0357","","","0.087","0.0922","","","","","","1.039","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153118","17.9074","0.0018","12.6049","0.0012","17.3136","0.0017","90","","109.254","0.002","90","","3689.5","0.6","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C23 H18 F N O3 -","- C23 H18 F N O3 -","- C184 H144 F8 N8 O24 -","8","1","","Duan, Zhiqiang; Han, Jianlin; Qian, Ping; Zhang, Zirui; Wang, Yi; Pan, Yi","Enantioselective synthesis of 3-hydroxy oxindoles by ytterbium-catalysed decarboxylative addition of β-ketoacids to isatins.","Organic & biomolecular chemistry","2013","11","38","6456","6459","10.1039/c3ob41460d","","","0.71073","MoKα","","0.0769","0.0476","","","0.1064","0.1216","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153119","5.8916","0.0004","9.9811","0.0006","14.272","0.0009","90","","90.639","0.001","90","","839.21","0.09","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","Sugar","","","- C13 H19 Cl3 O6 -","- C13 H19 Cl3 O6 -","- C26 H38 Cl6 O12 -","2","1","","Vangala, Madhuri; Dhokale, Snehal A.; Gawade, Rupesh L.; Pattuparambil, Rajamohanan R.; Puranik, Vedavati G.; Dhavale, Dilip D.","Sugar furanoid trans-vicinal diacid as a γ-turn inducer: synthesis and conformational study.","Organic & biomolecular chemistry","2013","11","40","6874","6878","10.1039/c3ob41462k","","","0.71073","MoKα","","0.0255","0.0253","","","0.0651","0.0653","","","","","","1.139","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153120","9.7965","0.0006","10.618","0.0007","21.199","0.001","90","","90","","90","","2205.1","0.2","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Sugar","","","- C20 H26 N4 O6 -","- C20 H26 N4 O6 -","- C80 H104 N16 O24 -","4","1","","Vangala, Madhuri; Dhokale, Snehal A.; Gawade, Rupesh L.; Pattuparambil, Rajamohanan R.; Puranik, Vedavati G.; Dhavale, Dilip D.","Sugar furanoid trans-vicinal diacid as a γ-turn inducer: synthesis and conformational study.","Organic & biomolecular chemistry","2013","11","40","6874","6878","10.1039/c3ob41462k","","","0.71073","MoKα","","0.0564","0.0461","","","0.1064","0.1118","","","","","","1.063","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153121","11.245","0.002","12.063","0.003","13.951","0.003","90","","97.496","0.01","90","","1876.3","0.7","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N O3 -","- C23 H19 N O3 -","- C92 H76 N4 O12 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.1416","0.046","","","0.0997","0.1303","","","","","","0.839","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153122","10.8852","0.0016","12.4799","0.0018","13.7493","0.0018","90","","103.481","0.005","90","","1816.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N O4 -","- C23 H17 N O4 -","- C92 H68 N4 O16 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.0864","0.0513","","","0.1214","0.1388","","","","","","1.038","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153123","6.7467","0.0004","12.811","0.0007","21.6174","0.0013","90","","90","","90","","1868.43","0.19","298","2","298","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C24 H21 N3 -","- C24 H21 N3 -","- C96 H84 N12 -","4","1","","Kinthada, Lakshmana K.; Ghosh, Santanu; De, Subhadip; Bhunia, Subhajit; Dey, Dhananjay; Bisai, Alakesh","Acid-catalyzed reactions of 3-hydroxy-2-oxindoles with electron-rich substrates: synthesis of 2-oxindoles with all-carbon quaternary center.","Organic & biomolecular chemistry","2013","11","40","6984","6993","10.1039/c3ob41482e","","","0.71073","MoKα","","0.155","0.0706","","","0.154","0.1849","","","","","","1.025","","","","has coordinates","288505","2023-12-22","15:12:04",""
"7153124","8.7505","0.0005","10.8915","0.0006","15.6217","0.0007","90","","90","","90","","1488.84","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C9 H0 N8 O4 -","- C16 H20 O5 -","- C64 H80 O20 -","4","1","","Wang, Wenjing; Xue, Jijun; Tian, Tian; Jiao, Yingdong; Li, Ying","The first asymmetric total synthesis of (+)-coriandrone A and B.","Organic & biomolecular chemistry","2013","11","39","6686","6690","10.1039/c3ob41497c","","","0.7107","MoKα","","0.0648","0.0501","","","0.1048","0.1157","","","","","","1.08","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153125","11.574","0.0003","12.0274","0.0003","13.1839","0.0006","104.872","0.0001","101.801","0.002","107.204","0.0001","1614.37","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C24 H45 N9 O6 -","- C24 H33 N9 O6 -","- C48 H66 N18 O12 -","2","1","","Rosien, Jan-Ruven; Seichter, Wilhelm; Mazik, Monika","Trimethoxybenzene- and trimethylbenzene-based compounds bearing imidazole, indole and pyrrole groups as recognition units: synthesis and evaluation of the binding properties towards carbohydrates.","Organic & biomolecular chemistry","2013","11","38","6569","6579","10.1039/c3ob41540f","","","0.71073","MoKα","","0.0885","0.0794","","","0.2213","0.2285","","","","","","1.146","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153126","11.3964","0.0009","7.3357","0.0006","20.4793","0.0007","90","","103.585","0.005","90","","1664.2","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C19 H14 Br N O3 -","- C19 H14 Br N O3 -","- C76 H56 Br4 N4 O12 -","4","2","","Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.","Organic & biomolecular chemistry","2013","11","41","7084","7087","10.1039/c3ob41573b","","","0.71073","MoKα","","0.0988","0.0574","","","0.1295","0.1596","","","","","","1.026","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153127","9.3019","0.0005","16.7028","0.0018","20.7326","0.0014","90","","90","","90","","3221.2","0.4","150","2","150","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C19 H15 N O4 -","- C19 H15 N O4 -","- C152 H120 N8 O32 -","8","1","","Biswas, Soumen; Jaiswal, Pradeep Kumar; Singh, Shivendra; Mobin, Shaikh M.; Samanta, Sampak","l-Proline catalyzed stereoselective synthesis of (E)-methyl-α-indol-2-yl-β-aryl/alkyl acrylates: easy access to substituted carbazoles, γ-carbolines and prenostodione.","Organic & biomolecular chemistry","2013","11","41","7084","7087","10.1039/c3ob41573b","","","0.71073","MoKα","","0.0743","0.0593","","","0.1613","0.1796","","","","","","1.062","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153128","11.82","0.003","8.1262","0.0018","18.945","0.003","90","","125.565","0.01","90","","1480.2","0.6","173","2","173","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C17 H18 O4 -","- C17 H18 O4 -","- C68 H72 O16 -","4","1","","Zou, Yong; Huang, Qi; Huang, Tong-Kun; Ni, Qing-Chun; Zhang, En-Sheng; Xu, Tian-Long; Yuan, Mu; Li, Jun","CuI/1,10-phen/PEG promoted decarboxylation of 2,3-diarylacrylic acids: synthesis of stilbenes under neutral and microwave conditions with an in situ generated recyclable catalyst.","Organic & biomolecular chemistry","2013","11","40","6967","6974","10.1039/c3ob41588k","","","0.71073","MoKα","","0.0667","0.0409","","","0.0981","0.1105","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153129","6.6246","0.0016","8.867","0.003","9.748","0.003","107.355","0.007","91.179","0.005","95.669","0.007","543.1","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H11 I O -","- C12 H11 I O -","- C24 H22 I2 O2 -","2","1","","Gu, Xiangyong; Lu, Ping; Fan, Weigang; Li, Pixu; Yao, Yingming","Visible light photoredox atom transfer Ueno-Stork reaction.","Organic & biomolecular chemistry","2013","11","41","7088","7091","10.1039/c3ob41600c","","","0.7107","MoKα","","0.0406","0.0321","","","0.0765","0.082","","","","","","1.009","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153130","12.5002","0.0002","21.1067","0.0003","7.4487","0.0001","90","","105.576","0.002","90","","1893.08","0.05","291","2","291","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H18 N2 O5 -","- C22 H18 N2 O5 -","- C88 H72 N8 O20 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","1.54184","CuKα","","0.0496","0.0439","","","0.1238","0.1295","","","","","","1.036","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153131","9.0858","0.0003","10.4482","0.0004","17.2738","0.0005","90","","90","","90","","1639.81","0.1","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","0.71073","MoKα","","0.0679","0.0458","","","0.0882","0.098","","","","","","1.034","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153132","9.0802","0.0001","10.4402","0.0002","17.2659","0.0002","90","","90","","90","","1636.79","0.04","291","2","291","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 O6 -","- C18 H18 O6 -","- C72 H72 O24 -","4","1","","Guo, Rui; Li, Kang-Nan; Gong, Liu-Zhu","Catalytic cascade hydroalkoxylation/isomerization/[4 + 2] cycloaddition using enyne alcohols as latent dienes or dienophiles.","Organic & biomolecular chemistry","2013","11","39","6707","6712","10.1039/c3ob41611a","","","1.54184","CuKα","","0.0275","0.0269","","","0.0737","0.0744","","","","","","1.033","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153133","7.5297","0.0008","15.7552","0.0016","12.3971","0.0016","90","","94.664","0.01","90","","1465.8","0.3","298","","298","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H13 Br N4 -","- C18 H14 Br N4 -","- C72 H56 Br4 N16 -","4","1","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.1224","0.0614","","","0.0654","0.0843","","","","","","0.974","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153134","7.928","0.002","16.966","0.005","12.302","0.004","90","","93.429","0.005","90","","1651.7","0.8","298","","298","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C23 H17 N3 -","- C23 H17 N3 -","- C92 H68 N12 -","4","1","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.0513","0.0441","","","0.1103","0.1168","","","","","","1.044","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153135","18.482","0.003","24.976","0.004","14.268","0.002","90","","108.136","0.002","90","","6259","1.7","298","","298","","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C20 H17 N3 O0.5 -","- C20 H17 N3 O0.5 -","- C320 H272 N48 O8 -","16","2","","Ramesh, Subburethinam; Kr Ghosh, Suman; Nagarajan, Rajagopal","Copper catalyzed synthesis of fused benzimidazolopyrazine derivatives via tandem benzimidazole formation/annulation of δ-alkynyl aldehyde.","Organic & biomolecular chemistry","2013","11","44","7712","7720","10.1039/c3ob41044g","","","0.71073","MoKα","","0.1411","0.1048","","","0.3198","0.3499","","","","","","1.301","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153136","8.4365","0.0004","19.7096","0.0017","11.9702","0.0005","90","","91.556","0.003","90","","1989.7","0.2","100","1","100","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C42 H62 F N3 O6 -","- C42 H62 F N3 O6 -","- C84 H124 F2 N6 O12 -","2","1","","Rosen, Christian B.; Hansen, Dennis J.; Gothelf, Kurt V.","Efficient colorimetric and fluorescent detection of fluoride in DMSO-water mixtures with arylaldoximes.","Organic & biomolecular chemistry","2013","11","45","7916","7922","10.1039/c3ob41078a","","","0.7107","MoKα","","0.041","0.0357","","","0.0798","0.083","","","","","","1.046","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153137","17.2054","0.0017","8.3014","0.0009","23.741","0.002","90","","96.687","0.004","90","","3367.8","0.6","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C38 H54 F N3 O2 -","- C38 H54 F N3 O2 -","- C152 H216 F4 N12 O8 -","4","1","","Rosen, Christian B.; Hansen, Dennis J.; Gothelf, Kurt V.","Efficient colorimetric and fluorescent detection of fluoride in DMSO-water mixtures with arylaldoximes.","Organic & biomolecular chemistry","2013","11","45","7916","7922","10.1039/c3ob41078a","","","0.71073","MoKα","","0.1256","0.0568","","","0.1167","0.1418","","","","","","1.001","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153138","12.3869","0.0016","5.4576","0.0007","24.843","0.003","90","","101.217","0.002","90","","1647.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","(2,3-Dihydro-1H-benzo[g]pyrimido[1,2-a][1,8]naphthyridin-5-yl)(phenyl)methanone","","- C22 H17 N3 O -","- C22 H17 N3 O -","- C88 H68 N12 O4 -","4","1","","Zhang, Yi-Chuan; Liu, Zhi-Cheng; Yang, Rui; Zhang, Ji-Hong; Yan, Sheng-Jiao; Lin, Jun","Regioselective construction of 1,3-diazaheterocycle fused [1,2-a][1,8]naphthyridine derivatives via cascade reaction of quinolines with heterocyclic ketene aminals: a joint experimental-computational approach.","Organic & biomolecular chemistry","2013","11","42","7276","7288","10.1039/c3ob41200h","","","0.71073","MoKα","","0.0699","0.0436","","","0.119","0.1325","","","","","","1.062","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153139","9.598","0.002","16.561","0.003","13.354","0.003","90","","98.05","0.03","90","","2101.7","0.8","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H24 N2 O Se -","- C26 H24 N2 O Se -","- C104 H96 N8 O4 Se4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1979","0.062","","","0.1158","0.1581","","","","","","0.952","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153140","12.197","0.002","13.572","0.003","13.886","0.003","90","","110.67","0.03","90","","2150.7","0.9","295","2","295","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C26 H24 N2 S2 -","- C26 H24 N2 S2 -","- C104 H96 N8 S8 -","4","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1125","0.0523","","","0.1311","0.1814","","","","","","1.068","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153141","16.364","0.003","9.393","0.002","23.502","0.005","90","","103.82","0.03","90","","3507.8","1.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C88 H84 N2 O9 Se -","- C88 H84 N2 O9 Se -","- C176 H168 N4 O18 Se2 -","2","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1224","0.0739","","","0.1891","0.214","","","","","","1.184","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153142","16.387","0.003","9.477","0.002","23.828","0.005","90","","103.58","0.03","90","","3597","1.3","295","","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 N O4 S -","- C44 H42 N O4 S -","- C176 H168 N4 O16 S4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1038","0.0974","","","0.2276","0.2313","","","","","","1.025","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153143","9.339","0.002","16.111","0.003","15.343","0.003","90","","104.1","0.03","90","","2239","0.8","295","2","295","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C26 H24 N2 Se2 -","- C26 H24 N2 Se2 -","- C104 H96 N8 Se8 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1798","0.0608","","","0.1241","0.164","","","","","","0.935","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153144","10.8405","0.0007","9.3369","0.0004","23.9357","0.0016","90","","98.99","0.007","90","","2392.9","0.2","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl2 N2 O2 -","- C27 H26 Cl2 N2 O2 -","- C108 H104 Cl8 N8 O8 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.0881","0.0481","","","0.1264","0.1358","","","","","","0.927","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153145","16.458","0.003","9.484","0.002","23.761","0.005","90","","103.26","0.03","90","","3609.9","1.3","295","2","295","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C44 H42 N O4 Se -","- C44 H42 N O4 Se -","- C176 H168 N4 O16 Se4 -","4","1","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.0704","0.0617","","","0.1469","0.1518","","","","","","1.076","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153146","16.7348","0.001","9.889","0.0005","24.2605","0.0015","90","","100.045","0.006","90","","3953.3","0.4","295","2","295","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C47 H43 Cl3 N4 O4 -","- C47 H43 Cl3 N4 O4 -","- C188 H172 Cl12 N16 O16 -","4","0.5","","Olszewska, Teresa; Sikorski, Artur; Herman, Aleksander; Połoński, Tadeusz","Helicity discrimination in N,N'-dibenzoyl-1,2,3,4,7,8,9,10-octahydro-1,10-phenanthrolines and their thiono- and selenocarbonyl analogues by inclusion complexation with chiral diols.","Organic & biomolecular chemistry","2013","11","43","7522","7529","10.1039/c3ob41216d","","","0.71073","MoKα","","0.1146","0.0714","","","0.1521","0.1681","","","","","","1.035","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153147","5.8968","0.0007","21.674","0.002","12.1696","0.0013","90","","103.342","0.002","90","","1513.4","0.3","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C17 H15 F3 O3 -","- C17 H15 F3 O3 -","- C68 H60 F12 O12 -","4","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","A synthesis of γ-trifluoromethyl α,β-unsaturated γ-butyrolactones using CF(3)SiMe(3) as a trifluoromethylating agent.","Organic & biomolecular chemistry","2013","11","38","6650","6658","10.1039/c3ob41247d","","","0.71073","MoKα","","0.1709","0.1027","","","0.1932","0.2251","","","","","","1.091","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153148","17.239","0.011","12.975","0.008","12.221","0.007","90","","134.379","0.01","90","","1954","2","293","2","293","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C10 H9 F3 O3 -","- C10 H9 F3 O3 -","- C80 H72 F24 O24 -","8","1","","Masusai, Chonticha; Soorukram, Darunee; Kuhakarn, Chutima; Tuchinda, Patoomratana; Pakawatchai, Chaveng; Saithong, Saowanit; Reutrakul, Vichai; Pohmakotr, Manat","A synthesis of γ-trifluoromethyl α,β-unsaturated γ-butyrolactones using CF(3)SiMe(3) as a trifluoromethylating agent.","Organic & biomolecular chemistry","2013","11","38","6650","6658","10.1039/c3ob41247d","","","0.71073","MoKα","","0.1909","0.1265","","","0.2795","0.2964","","","","","","0.96","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153149","11.177","0.0011","5.4737","0.0004","25.78","0.003","90","","100.299","0.009","90","","1551.8","0.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C17 H14 Cl N3 O2 -","- C17 H14 Cl N3 O2 -","- C68 H56 Cl4 N12 O8 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.1291","0.0599","","","0.1279","0.1575","","","","","","0.973","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153150","8.5356","0.0005","10.9149","0.0006","24.3049","0.0016","90","","95.72","0.006","90","","2253.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C24 H26 N4 O3 S -","- C24 H26 N4 O3 S -","- C96 H104 N16 O12 S4 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.088","0.0669","","","0.1784","0.1956","","","","","","1.028","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153151","6.0255","0.0006","10.3665","0.0011","13.6263","0.0014","92.903","0.009","97.168","0.008","94.666","0.008","840.1","0.15","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H16 N4 O4 -","- C18 H16 N4 O4 -","- C36 H32 N8 O8 -","2","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.0794","0.0549","","","0.1378","0.1525","","","","","","1.055","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153152","8.4958","0.0006","11.6503","0.0008","18.9628","0.0014","90","","94.116","0.001","90","","1872.1","0.2","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H20 N4 O3 S -","- C19 H20 N4 O3 S -","- C76 H80 N16 O12 S4 -","4","1","","Nagarjuna Reddy, M.; Kumara Swamy, K. C.","Dual catalysis by Cu(i): facile single step click and intramolecular C-O bond formation leading to triazole tethered dihydrobenzodioxines/benzoxazines/benzoxathiines/benzodioxepines.","Organic & biomolecular chemistry","2013","11","42","7350","7360","10.1039/c3ob41332b","","","0.71073","MoKα","","0.0519","0.0419","","","0.1218","0.1269","","","","","","1.073","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153153","10.8262","0.0003","12.7507","0.0004","14.1556","0.0004","86.54","0.001","68.923","0.002","65.63","0.002","1651.94","0.09","115","2","115","","","","","","","","","5","P -1","-P 1","2","","","","- C39 H39 B N2 O6 -","- C39 H39 B N2 O6 -","- C78 H78 B2 N4 O12 -","2","1","","Brizet, Bertrand; Bernhard, Claire; Volkova, Yulia; Rousselin, Yoann; Harvey, Pierre D.; Goze, Christine; Denat, Franck","Boron functionalization of BODIPY by various alcohols and phenols.","Organic & biomolecular chemistry","2013","11","44","7729","7737","10.1039/c3ob41370e","","x-ray","0.71073","MoKα~1~","K-L~3~","0.0681","0.0521","","","0.1073","0.1172","","","","","","1.068","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153154","12.698","0.0006","16.1029","0.0009","19.8555","0.0009","90","","98.257","0.005","90","","4017.9","0.3","202","2","202","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C37 H51 Cl4 Fe N2 O2 -","- C37 H51 Cl3.97 Fe N2 O2 -","- C148 H204 Cl15.88 Fe4 N8 O8 -","4","1","","Xia, Chong-Liang; Xie, Cun-Fei; Wu, Yu-Feng; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Efficient cross-coupling of aryl Grignard reagents with alkyl halides by recyclable ionic iron(iii) complexes bearing a bis(phenol)-functionalized benzimidazolium cation.","Organic & biomolecular chemistry","2013","11","46","8135","8144","10.1039/c3ob41376d","","","0.71073","MoKα","","0.095","0.0667","","","0.1811","0.197","","","","","","1.055","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153155","10.364","0.003","11.468","0.003","19.427","0.005","93.341","0.002","99.459","0.006","115.939","0.006","2026","1","223","2","223","2","","","","","","","","6","P -1","-P 1","2","","","","- C37 H51 Br4 Fe N2 O2 -","- C37 H51 Br4 Fe N2 O2 -","- C74 H102 Br8 Fe2 N4 O4 -","2","1","","Xia, Chong-Liang; Xie, Cun-Fei; Wu, Yu-Feng; Sun, Hong-Mei; Shen, Qi; Zhang, Yong","Efficient cross-coupling of aryl Grignard reagents with alkyl halides by recyclable ionic iron(iii) complexes bearing a bis(phenol)-functionalized benzimidazolium cation.","Organic & biomolecular chemistry","2013","11","46","8135","8144","10.1039/c3ob41376d","","","0.71075","MoKα","","0.1221","0.0743","","","0.1964","0.2254","","","","","","1.051","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153156","61.2255","0.0018","14.4227","0.0004","21.9788","0.0007","90","","105.993","0.001","90","","18656.9","1","120","2","120","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C72 H60 Cl8 Cu4 N12 O14 -","- C72 H60 Cl6 Cu4 N12 O6 -","- C576 H480 Cl48 Cu32 N96 O48 -","8","1","","Bencini, Andrea; Caddeo, Francesco; Caltagirone, Claudia; Garau, Alessandra; Hurstouse, Mike B.; Isaia, Francesco; Lampis, Sandrina; Lippolis, Vito; Lopez, Francesco; Meli, Valeria; Monduzzi, Maura; Mostallino, Maria Cristina; Murgia, Sergio; Puccioni, Stefano; Schmidt, Judith; Secci, Pietro Paolo; Talmon, Yeshayahu","An OFF-ON chemosensor for biological and environmental applications: sensing Cd(2+) in water using catanionic vesicles and in living cells.","Organic & biomolecular chemistry","2013","11","44","7751","7759","10.1039/c3ob41420e","","","0.71073","MoKα","","0.153","0.0926","","","0.2389","0.2701","","","","","","1.067","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153157","9.2625","0.001","16.6193","0.0018","23.112","0.003","102.761","0.002","100.394","0.002","90.159","0.002","3409.6","0.7","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H9 Br O3 -","- C13 H9 Br O3 -","- C156 H108 Br12 O36 -","12","6","","Wei, Enxiang; Liu, Bing; Lin, Shaoxia; Zhao, Baozhong; Liang, Fushun","Halonium-initiated double oxa-cyclization cascade as a synthetic strategy for halogenated furo[3,2-c]pyran-4-ones.","Organic & biomolecular chemistry","2013","11","41","7212","7217","10.1039/c3ob41526k","","","0.71073","MoKα","","0.1202","0.0789","","","0.2051","0.2269","","","","","","1.026","","","","has coordinates","211196","2020-10-21","18:00:00",""
"7153158","7.7331","0.0012","11.849","0.002","15.25","0.003","90","","102.274","0.008","90","","1365.4","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C11 H12 F3 I O5 -","- C11 H12 F3 I O5 -","- C44 H48 F12 I4 O20 -","4","1","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.036","0.0282","","","0.0708","0.0779","","","","","","1.024","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153159","6.337","0.003","10.385","0.005","15.832","0.008","96.304","0.011","90.56","0.011","99.26","0.011","1021.7","0.9","173","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H7 F5 O S -","- C10 H7 F5 O S -","- C40 H28 F20 O4 S4 -","4","2","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.0888","0.0731","","","0.1952","0.206","","","","","","1.002","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153160","12.367","0.003","9.325","0.002","7.9104","0.0019","90","","96.64","0.013","90","","906.1","0.4","100","2","100","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C8 H7 F5 O S -","- C8 H7 F5 O S -","- C32 H28 F20 O4 S4 -","4","1","","Ponomarenko, Maxim V.; Lummer, Katrin; Fokin, Andrey A.; Serguchev, Yurii A.; Bassil, Bassem S.; Röschenthaler, Gerd-Volker","Preparations of SF5- and CF3-substituted arenes utilizing the 7-oxabicyclo[2.2.1]hept-2-ene synthones.","Organic & biomolecular chemistry","2013","11","46","8103","8112","10.1039/c3ob41560k","","","0.71073","MoKα","","0.0349","0.0313","","","0.0874","0.0911","","","","","","1.025","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153161","9.7943","0.0004","10.0856","0.0004","17.1604","0.0008","90","","90","","90","","1695.13","0.12","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","Methyl (2S)-hydroxy-2-(2-oxo-(4R),(6R)-diphenyl-1,3,2-dioxaphosphorinan-2-yl) acetate","","- C18 H19 O6 P -","- C18 H19 O6 P -","- C72 H76 O24 P4 -","4","1","","Schiessl, Katharina; Roller, Alexander; Hammerschmidt, Friedrich","Determination of absolute configuration of the phosphonic acid moiety of fosfazinomycins.","Organic & biomolecular chemistry","2013","11","42","7420","7426","10.1039/c3ob41574k","","","0.71073","MoKα","","0.0322","0.0295","","","0.0814","0.0837","","","","","","1.018","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153162","10.9242","0.0003","9.473","0.0003","18.5505","0.0006","90","","94.287","0.002","90","","1914.33","0.1","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","Methyl (2R)-hydroxy-2-(2-oxo-(4R),(6R)-diphenyl-1,3,2-dioxaphosphorinan-2-yl) acetate","","- C18.5 H20 Cl O6 P -","- C18.5 H20 Cl O6 P -","- C74 H80 Cl4 O24 P4 -","4","2","","Schiessl, Katharina; Roller, Alexander; Hammerschmidt, Friedrich","Determination of absolute configuration of the phosphonic acid moiety of fosfazinomycins.","Organic & biomolecular chemistry","2013","11","42","7420","7426","10.1039/c3ob41574k","","","0.71073","MoKα","","0.0413","0.035","","","0.0866","0.0907","","","","","","1.022","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153163","6.9679","0.0003","19.054","0.0009","7.6683","0.0004","90","","93.428","0.002","90","","1016.27","0.08","147","2","147","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C22 H24 N2 O6 -","- C22 H24 N2 O6 -","- C44 H48 N4 O12 -","2","1","","Chin, Jik; Kwon, Soon Ho; Moozeh, Kimia; So, Soon Mog; Lough, Alan J.; Kim, B. Moon","Stereospecific synthesis of a twinned alanine ester.","Organic & biomolecular chemistry","2013","11","46","8022","8025","10.1039/c3ob41582a","","","1.54178","CuKα","","0.0306","0.0305","","","0.0761","0.0763","","","","","","1.067","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153164","5.8605","0.0001","11.8631","0.0002","14.0648","0.0003","73.426","0.001","83.068","0.001","82.104","0.001","924.9","0.03","296","2","296","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H18 N O5 -","- C21 H18 N O5 -","- C42 H36 N2 O10 -","2","1","","Bao, Yun-Hong; Zhu, Jia-Yi; Qin, Wen-Bing; Kong, Yu-Bo; Chen, Zheng-Wang; Tang, Shao-Bin; Liu, Liang-Xian","Cu(ii)-catalyzed highly regio- and stereoselective construction of C-C double bonds: an efficient method for the ketonization-olefination of indoles.","Organic & biomolecular chemistry","2013","11","45","7938","7945","10.1039/c3ob41589a","","","0.71073","MoKα","","0.0632","0.0527","","","0.1487","0.1598","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153165","7.5669","0.0004","10.6356","0.0005","24.4275","0.0012","90","","97.345","0.002","90","","1949.76","0.17","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C23 H19 N2 O2 S2 -","- C22 H19 N O2 S2 -","- C88 H76 N4 O8 S8 -","4","1","","Prasad, Ch Durga; Kumar, Shailesh; Sattar, Moh; Adhikary, Amit; Kumar, Sangit","Metal free sulfenylation and bis-sulfenylation of indoles: persulfate mediated synthesis.","Organic & biomolecular chemistry","2013","11","46","8036","8040","10.1039/c3ob41601a","","","0.71073","MoKα","","0.0585","0.0419","","","0.1347","0.1476","","","","","","1.102","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153166","20.173","0.006","51.635","0.014","5.5236","0.0015","90","","90","","90","","5754","3","120","2","120","2","","","","","","","","5","F d d 2","F 2 -2d","43","","","","- C14 H12 N2 O2 S -","- C15 H13 N2 O2 S -","- C240 H208 N32 O32 S16 -","16","1","","Prasad, Ch Durga; Kumar, Shailesh; Sattar, Moh; Adhikary, Amit; Kumar, Sangit","Metal free sulfenylation and bis-sulfenylation of indoles: persulfate mediated synthesis.","Organic & biomolecular chemistry","2013","11","46","8036","8040","10.1039/c3ob41601a","","","0.71073","MoKα","","0.2406","0.0752","","","0.1652","0.2192","","","","","","1.012","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7153167","8.6242","0.0006","14.6111","0.001","9.004","0.0006","90","","115.147","0.001","90","","1027.05","0.12","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","Methiodide of km1291","(N,N')-Bis-methyliodide adduct of (1S,2R)-2-(Methyl-pyridin-3-ylmethyl-amino)-1-phenyl-propan-1-ol","","- C18 H26 I2 N2 O -","- C18 H26 I2 N2 O -","- C36 H52 I4 N4 O2 -","2","1","","Vasiloiu, Maria; Leder, Sonja; Gaertner, Peter; Mereiter, Kurt; Bica, Katharina","Coordinating chiral ionic liquids.","Organic & biomolecular chemistry","2013","11","46","8092","8102","10.1039/c3ob41635f","","","0.71073","MoKα","","0.0211","0.0209","","","0.0523","0.0524","","","","","","1.041","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153168","10.2744","0.0009","10.3315","0.0009","20.5699","0.0017","103.339","0.002","93.337","0.002","91.687","0.002","2118.9","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C23 H17 F3 N2 O2 S -","- C23 H17 F3 N2 O2 S -","- C92 H68 F12 N8 O8 S4 -","4","2","","Li, Yajun; Zhang, Lisi; Zhang, Li; Wu, Yongming; Gong, Yuefa","Cu-catalyzed tandem reactions of fluorinated alkynes with sulfonyl azides en route to 2-trifluoromethylquinolines.","Organic & biomolecular chemistry","2013","11","42","7267","7270","10.1039/c3ob41658e","","","0.71073","MoKα","","0.082","0.0516","","","0.1326","0.1494","","","","","","1.034","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153169","5.4244","0.0018","11.419","0.004","15.941","0.005","90","","99.108","0.013","90","","975","0.6","296","2","296","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C22 H28 O4 -","- C22 H28 O4 -","- C44 H56 O8 -","2","1","","Peng, Yu; Luo, Zhen-Biao; Zhang, Jian-Jian; Luo, Long; Wang, Ya-Wen","Collective synthesis of several 2,7'-cyclolignans and their correlation by chemical transformations.","Organic & biomolecular chemistry","2013","11","43","7574","7586","10.1039/c3ob41672k","","","0.71073","MoKα","","0.0773","0.0565","","","0.1355","0.1498","","","","","","0.993","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153170","8.1666","0.0008","12.3232","0.001","20.795","0.002","85.685","0.008","80.44","0.008","89.993","0.007","2057.7","0.3","150","0.1","150","0.1","","","","","","","","3","P -1","-P 1","2","","","","- C44 H52 O13 -","- C44 H52 O13 -","- C88 H104 O26 -","2","1","","Peng, Yu; Luo, Zhen-Biao; Zhang, Jian-Jian; Luo, Long; Wang, Ya-Wen","Collective synthesis of several 2,7'-cyclolignans and their correlation by chemical transformations.","Organic & biomolecular chemistry","2013","11","43","7574","7586","10.1039/c3ob41672k","","","1.5418","CuKα","","0.1727","0.1125","","","0.2977","0.3393","","","","","","1.087","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153171","9.7403","0.0009","12.5649","0.0012","13.0243","0.0012","90.176","0.001","108.72","0.001","109.614","0.001","1411.1","0.2","293","2","293","2","","","","","","","","7","P -1","-P 1","2","","(trans, Z)-Diethyl 4-benzoyl-2-((4-bromophenyl)imino)-5- (4-chlorophenyl)dihydrothiophene-3,3 (2H)-dicarboxylate","","- C29 H25 Br Cl N O5 S -","- C29 H25 Br Cl N O5 S -","- C58 H50 Br2 Cl2 N2 O10 S2 -","2","1","","Sun, Yongxian; Yang, Gaosheng; Chai, Zhuo; Mu, Xiaolong; Chai, Jun","AlCl3-promoted [3 + 2] annulation of cis-2,3-disubstituted cyclopropane 1,1-diesters with isothiocyanates: stereoselective synthesis of densely substituted 2-iminodihydrothiophenes.","Organic & biomolecular chemistry","2013","11","45","7859","7868","10.1039/c3ob41678j","","","0.71073","MoKα","","0.1012","0.0719","","","0.2435","0.2769","","","","","","0.984","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153172","11.6091","0.0005","9.1582","0.0004","17.528","0.0007","90","","95.152","0.001","90","","1856.02","0.14","296","2","296","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C19 H27 N O3 -","- C19 H27 N O3 -","- C76 H108 N4 O12 -","4","1","","Li, Ke; Wang, Cheng; Yin, Gang; Gao, Shuanhu","Construction of the basic skeleton of ophiobolin A and variecolin.","Organic & biomolecular chemistry","2013","11","43","7550","7558","10.1039/c3ob41693c","","","0.71073","MoKα","","0.0776","0.0669","","","0.2032","0.2189","","","","","","1.076","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153173","6.8219","0.0002","9.1724","0.0004","9.3248","0.0004","88.1107","0.0017","79.4709","0.0016","80.956","0.002","566.52","0.04","150","","150","","","","","","","","","3","P -1","-P 1","2","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C26 H36 O6 -","2","1","","Fenlon, Thomas W.; Jones, Michael W.; Adlington, Robert M.; Lee, Victor","Synthesis of rac-Lindenene via a thermally induced cyclopropanation reaction.","Organic & biomolecular chemistry","2013","11","46","8026","8029","10.1039/c3ob41716f","","","0.71073","MoKα","","0.075","0.059","","0.1182","0.1057","0.1182","","","","","","1.0019","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"7153174","11.514","0.0002","7.3456","0.0001","14.5121","0.0003","90","","113.285","0.0008","90","","1127.42","0.03","150","","150","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C13 H18 O3 -","- C13 H18 O3 -","- C52 H72 O12 -","4","1","","Fenlon, Thomas W.; Jones, Michael W.; Adlington, Robert M.; Lee, Victor","Synthesis of rac-Lindenene via a thermally induced cyclopropanation reaction.","Organic & biomolecular chemistry","2013","11","46","8026","8029","10.1039/c3ob41716f","","","0.71073","MoKα","","0.0479","0.0375","","0.0924","0.0892","0.0872","","","","","","0.988","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7153175","4.979","0.005","10.064","0.011","19.859","0.019","90","","92.52","0.02","90","","994.1","1.8","173","","173","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H22 F3 N3 O5 -","- C18 H22 F3 N3 O5 -","- C36 H44 F6 N6 O10 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.1283","","","","0.3614","","","","","","1.197","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153176","12.21","0.008","6.164","0.003","12.946","0.007","90","","99.737","0.012","90","","960.3","0.9","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C23 H22 N2 O3 -","- C23 H22 N2 O3 -","- C46 H44 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.034","","","","0.09","","","","","","0.977","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153177","19.58","0.02","5.868","0.005","19.289","0.017","90","","111.93","0.03","90","","2056","3","173","","173","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C96 H96 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.0759","","","","0.2055","","","","","","1.031","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153178","10.185","0.007","8.422","0.005","12.404","0.008","90","","111.547","0.012","90","","989.6","1.1","173","","173","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C24 H24 N2 O3 -","- C24 H24 N2 O3 -","- C48 H48 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","1.54187","CuKα","","","0.0613","","","","0.1758","","","","","","1.046","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153179","24.538","0.015","5.643","0.005","11.947","0.009","90","","95.19","0.02","90","","1647","2","93","","93","","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C72 H68 F12 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0695","","","","0.2148","","","","","","0.886","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153180","11.641","0.009","6.185","0.004","11.974","0.009","90","","104.942","0.018","90","","833","1","93","","93","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H17 F3 N2 O3 -","- C18 H17 F3 N2 O3 -","- C36 H34 F6 N4 O6 -","2","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0642","","","","0.1797","","","","","","1.074","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153181","7.735","0.002","14.242","0.004","16.353","0.004","90","","90","","90","","1801.5","0.8","93","","93","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C19 H22 N2 O3 -","- C19 H22 N2 O3 -","- C76 H88 N8 O12 -","4","1","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71075","MoKα","","","0.0412","","","","0.0989","","","","","","0.896","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153182","13.223","0.004","13.332","0.003","17.956","0.004","91.021","0.006","91.959","0.004","114.349","0.008","2880.4","1.3","93","2","93","2","","","","","","","","6","P -1","-P 1","2","","","","- C28 H27 F3 N2 O7 S -","- C28 H27 F3 N2 O7 S -","- C112 H108 F12 N8 O28 S4 -","4","2","","Gould, Eoin; Lebl, Tomas; Slawin, Alexandra M. Z.; Reid, Mark; Davies, Tony; Smith, Andrew D.","The development of highly active acyclic chiral hydrazides for asymmetric iminium ion organocatalysis.","Organic & biomolecular chemistry","2013","11","45","7877","7892","10.1039/c3ob41719k","","","0.71073","MoKα","","0.0942","0.0635","","","0.1683","0.2151","","","","","","1.069","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153183","11.1187","0.0013","11.1187","0.0013","22.218","0.003","90","","90","","120","","2378.7","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","6","P 31 2 1","P 31 2""","152","","","","- C28 H46 Br2 Fe N2 O5 -","- C28 H46 Br2 Fe N2 O5 -","- C84 H138 Br6 Fe3 N6 O15 -","3","0.5","","Plancq, Baptiste; Lafantaisie, Mathieu; Companys, Simon; Maroun, Cendrella; Ollevier, Thierry","Highly enantioselective iron(ii)-catalyzed opening reaction of aromatic meso-epoxides with indoles.","Organic & biomolecular chemistry","2013","11","43","7463","7466","10.1039/c3ob41782d","","","1.54178","CuKα","","0.072","0.0383","","","0.0563","0.0605","","","","","","1.003","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153184","7.392","0.0011","10.7494","0.0015","25.7003","0.0012","90","","90","","90","","2042.1","0.4","291","2","291","2","","","","","","","","7","P 21 21 21","P 2ac 2ab","19","","","","- C18 H18 Cl F3 N3 O S2 -","- C18 H18 Cl F3 N3 O S2 -","- C72 H72 Cl4 F12 N12 O4 S8 -","4","1","","Mei, Haibo; Xie, Chen; Wu, Lingmin; Soloshonok, Vadim A.; Han, Jianlin; Pan, Yi","Asymmetric Mannich reactions of imidazo[2,1-b]thiazole-derived nucleophiles with (SS)-N-tert-butanesulfinyl (3,3,3)-trifluoroacetaldimine.","Organic & biomolecular chemistry","2013","11","46","8018","8021","10.1039/c3ob41785a","","","0.71073","MoKα","","0.0459","0.0425","","","0.0974","0.0979","","","","","","1.066","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153185","15.619","0.002","5.927","0.0008","22.055","0.003","90","","101.129","0.002","90","","2003.3","0.5","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C20 H23 N O4 S2 -","- C20 H23 N O4 S2 -","- C80 H92 N4 O16 S8 -","4","1","","Zhang, Lingjuan; Xu, Xianxiu; Shao, Qiu-Rong; Pan, Ling; Liu, Qun","Tandem Michael addition/isocyanide insertion into the C-C bond: a novel access to 2-acylpyrroles and medium-ring fused pyrroles.","Organic & biomolecular chemistry","2013","11","42","7393","7399","10.1039/c3ob41793j","","","0.71069","MoKα","","0.0805","0.0463","","","0.1023","0.1162","","","","","","1.018","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153186","12.208","0.005","6.102","0.003","13.056","0.005","90","","111.438","0.007","90","","905.3","0.7","173","1","173","1","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O S -","- C18 H27 N O S -","- C36 H54 N2 O2 S2 -","2","1","","Bosque, Irene; Foubelo, Francisco; Gonzalez-Gomez, Jose C","A general protocol to afford enantioenriched linear homoprenylic amines.","Organic & biomolecular chemistry","2013","11","43","7507","7515","10.1039/c3ob41804a","","","0.71073","MoKα","","0.0476","0.0384","","","0.0785","0.0833","","","","","","1.003","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153187","13.458","0.003","15.458","0.003","18.938","0.004","90","","110.181","0.003","90","","3697.9","1.3","173","2","173","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C39 H35 Br2 N3 O4 -","- C35 H23 Br2 N3 O2 -","- C140 H92 Br8 N12 O8 -","4","1","","Gerten, Anthony L.; Slade, Michael C.; Pugh, Kelsie M.; Stanley, Levi M.","Catalytic, enantioselective 1,3-dipolar cycloadditions of nitrile imines with methyleneindolinones.","Organic & biomolecular chemistry","2013","11","45","7834","7837","10.1039/c3ob41815d","","","0.71073","MoKα","","0.103","0.0661","","","0.2089","0.2335","","","","","","1.06","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153188","11.6106","0.0002","12.5495","0.0002","18.7424","0.0004","90","","90","","90","","2730.9","0.09","150","2","150","2","","","","","","","","3","P n a 21","P 2c -2n","33","","","","- C33 H30 O6 -","- C33 H30 O6 -","- C132 H120 O24 -","4","1","","Rodrigo, Sanjeewa K.; Powell, Israel V.; Coleman, Michael G.; Krause, Jeanette A.; Guan, Hairong","Efficient and regioselective nickel-catalyzed [2 + 2 + 2] cyclotrimerization of ynoates and related alkynes.","Organic & biomolecular chemistry","2013","11","44","7653","7657","10.1039/c3ob41872c","","","1.54178","CuKα","","0.0539","0.053","","","0.146","0.147","","","","","","1.028","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153189","11.3776","0.0002","15.959","0.0003","26.0724","0.0004","90","","90","","90","","4734.1","0.14","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C30 H24 O6 -","- C30 H24 O6 -","- C240 H192 O48 -","8","1","","Rodrigo, Sanjeewa K.; Powell, Israel V.; Coleman, Michael G.; Krause, Jeanette A.; Guan, Hairong","Efficient and regioselective nickel-catalyzed [2 + 2 + 2] cyclotrimerization of ynoates and related alkynes.","Organic & biomolecular chemistry","2013","11","44","7653","7657","10.1039/c3ob41872c","","","1.54178","CuKα","","0.0454","0.0362","","","0.0924","0.0988","","","","","","1.029","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153190","10.807","0.0004","10.807","0.0004","40.306","0.003","90","","90","","90","","4707.4","0.4","173","2","173","2","","","","","","","","5","P 41 21 2","P 4abw 2nw","92","","","","- C26 H26 Br N3 O -","- C26 H26 Br N3 O -","- C208 H208 Br8 N24 O8 -","8","1","","Martínez-Muñoz, Aurora; Monge, David; Martín-Zamora, Eloísa; Marqués-López, Eugenia; Alvarez, Eleuterio; Fernández, Rosario; Lassaletta, José M","Asymmetric organocatalytic Strecker-type reactions of aliphatic N,N-dialkylhydrazones.","Organic & biomolecular chemistry","2013","11","47","8247","8255","10.1039/c3ob41437j","","","0.71073","MoKα","","0.0492","0.0314","","","0.068","0.0741","","","","","","1.008","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153191","10.341","0.002","10.832","0.002","15.797","0.003","90","","100.2","0.03","90","","1741.5","0.6","173","2","173","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H17 N O5 S -","- C19 H17 N O5 S -","- C76 H68 N4 O20 S4 -","4","1","","Zhang, Lei; Yu, Hao; Yang, Zhilin; Liu, Honglei; Li, Zhen; Guo, Junhong; Xiao, Yumei; Guo, Hongchao","Phosphine-catalyzed [3 + 2] cycloaddition of Morita-Baylis-Hillman carbonates with sulfamate-derived cyclic imines.","Organic & biomolecular chemistry","2013","11","47","8235","8240","10.1039/c3ob41651h","","","0.71073","MoKα","","0.0568","0.0531","","","0.151","0.1585","","","","","","1.226","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153192","13.3513","0.0016","13.8685","0.0018","14.6594","0.0016","109.672","0.003","99.92","0.003","95.891","0.004","2479.7","0.5","113","2","113","2","","","","","","","","3","P -1","-P 1","2","","","","- C60 H64 N2 -","- C60 H64 N2 -","- C120 H128 N4 -","2","1","","Hibi, Daijiro; Kitabayashi, Kenichi; Shimizu, Akihiro; Umeda, Rui; Tobe, Yoshito","Synthesis and physical properties of zethrene derivatives bearing donor/acceptor substituents at 7,14-positions.","Organic & biomolecular chemistry","2013","11","47","8256","8261","10.1039/c3ob41674g","","","0.71075","MoKα","","0.1486","0.0763","","","0.1936","0.2516","","","","","","0.98","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153193","7.981","0.0002","8.997","0.0002","19.1833","0.0005","78.855","0.002","84.93","0.002","88.715","0.002","1346.17","0.06","291","2","291","2","","","","","","","","4","P 1","P 1","1","","","","- C32 H25 N5 O5 -","- C32 H25 N5 O5 -","- C64 H50 N10 O10 -","2","2","","Liu, Jing-Xin; Zhou, Qing-Qing; Deng, Jin-Gen; Chen, Ying-Chun","An asymmetric normal-electron-demand aza-Diels-Alder reaction via trienamine catalysis.","Organic & biomolecular chemistry","2013","11","47","8175","8178","10.1039/c3ob41698d","","","1.54184","CuKα","","0.0361","0.034","","","0.0928","0.0954","","","","","","1.031","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153194","13.319","0.003","16.518","0.004","17.359","0.004","101.304","0.003","95.454","0.003","113.008","0.003","3384.1","1.4","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C108 H130 F24 N4 O20 P4 -","- C108 H130 F24 N4 O20 P4 -","- C108 H130 F24 N4 O20 P4 -","1","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.1317","0.1017","","","0.2564","0.2749","","","","","","1.327","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153195","15.192","0.003","23.492","0.005","21.641","0.004","90","","105.57","0.03","90","","7440","3","173","2","173","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C124 H126 Br4 F24 N4 O20 P4 -","- C124 H126 Br4 F24 N4 O20 P4 -","- C248 H252 Br8 F48 N8 O40 P8 -","2","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.24","0.2053","","","0.5146","0.5444","","","","","","1.866","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153196","13","0.003","30.563","0.006","15.58","0.003","90","","112.39","0.03","90","","5724","2","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C104 H116 F24 N4 O24 P4 -","- C104 H116 F24 N4 O24 P4 -","- C208 H232 F48 N8 O48 P8 -","2","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.1528","0.1379","","","0.4134","0.4314","","","","","","1.743","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153197","13.353","0.003","14.777","0.003","19.768","0.004","106.3","0.03","101.9","0.03","90.79","0.03","3652.6","1.5","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C128 H140 F24 N4 O20 P4 -","- C128 H140 F24 N4 O20 P4 -","- C128 H140 F24 N4 O20 P4 -","1","0.5","","Ma, Ying-Xian; Han, Ying; Cao, Jing; Chen, Chuan-Feng","Complexation of a pentiptycene-derived trans-bis(crown ether) host with different terminally functionalized paraquat derivatives in solution and the solid state: a switchable complexation process controlled by potassium ions.","Organic & biomolecular chemistry","2013","11","47","8183","8190","10.1039/c3ob41700j","","","0.71073","MoKα","","0.2028","0.1466","","","0.3529","0.3759","","","","","","1.592","","","","has coordinates,has disorder","180317","2020-10-21","18:00:00",""
"7153198","8.32","0.01","28.09","0.03","7.621","0.009","90","","115.891","0.012","90","","1602","3","296","2","296","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C18 H16 N0 O7 -","- C18 H16 O7 -","- C72 H64 O28 -","4","1","","Long, Lingliang; Zhou, Liping; Wang, Lin; Meng, Suci; Gong, Aihua; Du, Fengyi; Zhang, Chi","A coumarin-based fluorescent probe for biological thiols and its application for living cell imaging.","Organic & biomolecular chemistry","2013","11","47","8214","8220","10.1039/c3ob41741g","","","0.71073","MoKα","","0.0336","0.0308","","","0.0747","0.0768","","","","","","1.056","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153199","8.704","0.0003","10.8569","0.0003","11.589","0.0004","100.578","0.003","103.072","0.003","96.793","0.003","1033.93","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C40 H34 F12 N4 O8 -","- C40 H34 F12 N4 O8 -","- C40 H34 F12 N4 O8 -","1","0.5","","de Aquino, Roney Anderson Nascimento; Modolo, Luzia Valentina; Alves, Rosemeire Brondi; de Fátima, Angelo","Synthesis, kinetic studies and molecular modeling of novel tacrine dimers as cholinesterase inhibitors.","Organic & biomolecular chemistry","2013","11","48","8395","8409","10.1039/c3ob41762j","","","0.71073","MoKα","","0.0773","0.0541","","","0.1299","0.1484","","","","","","1.038","","","","has coordinates","180317","2020-10-21","18:00:00",""
"7153200","9.7578","0.0002","11.2552","0.0003","11.8308","0.0003","115.403","0.002","97.181","0.002","106.9","0.002","1075.12","0.06","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C46 H38 F12 N4 O8 -","- C46 H38 F12 N4 O8 -","- C46 H38 F12 N4 O8 -","1","0.5","","de Aquino, Roney Anderson Nascimento; Modolo, Luzia Valentina; Alves, Rosemeire Brondi; de Fátima, Angelo","Synthesis, kinetic studies and molecular modeling of novel tacrine dimers as cholinesterase inhibitors.","Organic & biomolecular chemistry","2013","11","48","8395","8409","10.1039/c3ob41762j","","","0.71073","MoKα","","0.0688","0.0493","","","0.1312","0.1412","","","","","","1.105","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153201","23.543","0.003","6.2775","0.0008","20.602","0.003","90","","114.078","0.002","90","","2779.9","0.6","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H16 N4 O2 -","- C15 H16 N4 O2 -","- C120 H128 N32 O16 -","8","2","","Chen, Yunfeng; Zhou, Shilei; Ma, Shan; Liu, Wenqian; Pan, Zhiquan; Shi, Xiaodong","A facile synthesis of 5-amino-[1,2,3]triazolo[5,1-a]isoquinoline derivatives through copper-catalyzed cascade reactions.","Organic & biomolecular chemistry","2013","11","47","8171","8174","10.1039/c3ob41774c","","","0.71073","MoKα","","0.0543","0.0397","","","0.1154","0.1373","","","","","","1.046","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153202","7.2363","0.0014","8.068","0.0015","17.736","0.003","90","","113.78","0.007","90","","947.6","0.3","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C11 H7 N5 -","- C11 H7 N5 -","- C44 H28 N20 -","4","1","","Chen, Yunfeng; Zhou, Shilei; Ma, Shan; Liu, Wenqian; Pan, Zhiquan; Shi, Xiaodong","A facile synthesis of 5-amino-[1,2,3]triazolo[5,1-a]isoquinoline derivatives through copper-catalyzed cascade reactions.","Organic & biomolecular chemistry","2013","11","47","8171","8174","10.1039/c3ob41774c","","","0.71073","MoKα","","0.0758","0.0596","","","0.1295","0.137","","","","","","1.201","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153203","11.1418","0.0008","7.1748","0.0005","12.9148","0.001","90","","105.564","0.001","90","","994.55","0.13","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H20 Br N3 O3 -","- C20 H20 Br N3 O3 -","- C40 H40 Br2 N6 O6 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0325","0.0297","","","0.0714","0.0725","","","","","","0.99","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153204","8.9732","0.0008","10.4292","0.0009","25.653","0.002","90","","90","","90","","2400.7","0.4","295","2","295","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C23 H32 N4 O5 -","- C23 H32 N4 O5 -","- C92 H128 N16 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1041","0.0502","","","0.1181","0.1394","","","","","","1.025","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153205","7.1599","0.0007","11.846","0.0011","25.16","0.002","90","","90","","90","","2134","0.3","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C21 H22 Br N3 O4 -","- C21 H22 Br N3 O4 -","- C84 H88 Br4 N12 O16 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1049","0.0749","","","0.1234","0.133","","","","","","1.203","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153206","11.016","0.005","7.612","0.003","12.92","0.005","90","","102.13","0.007","90","","1059.2","0.8","297","2","297","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C20 H17 Br F3 N3 O3 -","- C20 H17 Br F3 N3 O3 -","- C40 H34 Br2 F6 N6 O6 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0887","0.0469","","","0.0815","0.0954","","","","","","0.985","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153207","12.842","0.0019","7.0231","0.001","13.3863","0.0019","90","","90.547","0.003","90","","1207.3","0.3","297","2","297","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C23 H26 Br N3 O4 -","- C23 H26 Br N3 O4 -","- C46 H52 Br2 N6 O8 -","2","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.1592","0.1045","","","0.1381","0.1533","","","","","","1.203","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153208","8.547","0.005","9.694","0.005","22.943","0.012","90","","90","","90","","1900.9","1.8","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.049","0.0479","","","0.1241","0.1257","","","","","","1.042","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153209","10.6231","0.0007","10.9569","0.0007","19.528","0.0012","90","","90","","90","","2273","0.3","296","2","296","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Peptide","","","- C24 H28 N2 O5 -","- C24 H28 N2 O5 -","- C96 H112 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0507","0.0402","","","0.0897","0.0946","","","","","","1.066","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153210","8.111","0.002","9.756","0.002","20.126","0.006","90","","90","","90","","1592.6","0.7","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H20 N2 O5 -","- C16 H20 N2 O5 -","- C64 H80 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0405","0.0353","","","0.0796","0.0823","","","","","","1.031","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153211","7.4115","0.0004","16.548","0.0009","19.3577","0.0011","90","","90","","90","","2374.1","0.2","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H34 N2 O5 -","- C25 H34 N2 O5 -","- C100 H136 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0464","0.0442","","","0.1039","0.1054","","","","","","1.09","","","","has coordinates,has disorder","180318","2020-10-21","18:00:00",""
"7153212","8.3515","0.0008","9.6398","0.0009","22.979","0.002","90","","90","","90","","1850","0.3","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H24 N2 O5 -","- C18 H24 N2 O5 -","- C72 H96 N8 O20 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0527","0.043","","","0.1081","0.115","","","","","","1.062","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153213","8.173","0.005","13.001","0.008","17.35","0.011","90","","90","","90","","1844","2","297","2","297","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C20 H20 N2 O4 -","- C20 H20 N2 O4 -","- C80 H80 N8 O16 -","4","1","","Vijayadas, Kuruppanthara N.; Nair, Roshna V.; Gawade, Rupesh L.; Kotmale, Amol S.; Prabhakaran, Panchami; Gonnade, Rajesh G.; Puranik, Vedavadi G.; Rajamohanan, Pattuparambil R.; Sanjayan, Gangadhar J.","Ester vs. amide on folding: a case study with a 2-residue synthetic peptide.","Organic & biomolecular chemistry","2013","11","48","8348","8356","10.1039/c3ob41967c","","","0.71073","MoKα","","0.0663","0.0488","","","0.1005","0.1084","","","","","","1.117","","","","has coordinates","206958","2020-10-21","18:00:00",""
"7153214","9.7071","0.0002","11.1189","0.0002","18.7507","0.0003","81.223","0.001","76.878","0.001","72.985","0.001","1876.61","0.06","103","2","103","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H55 N O3 Si -","- C42 H55 N O3 Si -","- C84 H110 N2 O6 Si2 -","2","1","","Zhang, Yun-Xiao; Zhang, An-Qi; Tian, Jie-Sheng; Loh, Teck-Peng","Diastereoselective oxidative α-amination of aliphatic aldehydes catalyzed by iodine: synthesis of syn-γ-hydroxy-α-amino acetals.","Organic & biomolecular chemistry","2013","11","48","8387","8394","10.1039/c3ob42043d","","","0.71073","MoKα","","0.0461","0.0372","","","0.099","0.1094","","","","","","1.071","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153215","18.522","0.004","11.47","0.003","20.22","0.005","90","","90","","90","","4295.7","1.8","93","2","93","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C20 H34 S4 -","- C20 H34 S4 -","- C160 H272 S32 -","8","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71073","MoKα","","0.0781","0.0467","","","0.1307","0.1693","","","","","","0.707","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153216","7.101","0.005","36.72","0.03","8.124","0.005","90","","97.633","0.015","90","","2100","3","125","","125","","","","","","","","","3","C 1 c 1","C -2yc","9","","","","- C20 H34 S4 -","- C20 H34 S4 -","- C80 H136 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0616","","","","0.2222","","","","","","1.163","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153217","23.528","0.007","9.944","0.003","10.012","0.004","90","","97.812","0.009","90","","2320.7","1.4","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H38 S4 -","- C22 H38 S4 -","- C88 H152 S16 -","4","0.5","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0358","","","","0.1309","","","","","","0.613","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153218","10.897","0.004","10.212","0.004","19.565","0.006","90","","96.714","0.009","90","","2162.3","1.3","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 S4 -","- C20 H36 S4 -","- C80 H144 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0503","","","","0.1212","","","","","","1.035","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153219","6.748","0.005","17.135","0.012","19.118","0.013","90","","92.551","0.019","90","","2208","3","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H36 S4 -","- C20 H36 S4 -","- C80 H144 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.1106","","","","0.3265","","","","","","1.061","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153220","12.281","0.004","11.346","0.004","17.065","0.006","90","","92.239","0.009","90","","2376","1.4","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C22 H40 S4 -","- C22 H40 S4 -","- C88 H160 S16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0656","","","","0.2642","","","","","","0.807","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153221","23.971","0.008","9.904","0.003","9.922","0.003","90","","98.697","0.009","90","","2328.5","1.3","93","","93","","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H40 S4 -","- C22 H40 S4 -","- C88 H160 S16 -","4","0.5","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.045","","","","0.1126","","","","","","1.059","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153222","8.785","0.007","9.455","0.007","9.834","0.007","98.507","0.01","105.386","0.009","112.507","0.012","698.4","0.9","93","","93","","","","","","","","","3","P -1","-P 1","2","","","","- C14 H24 F4 -","- C14 H24 F4 -","- C28 H48 F8 -","2","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0914","","","","0.3114","","","","","","1.08","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153223","9.886","0.004","18.957","0.007","15.41","0.006","90","","102.154","0.014","90","","2823.2","1.9","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C14 H24 F4 -","- C14 H24 F4 -","- C112 H192 F32 -","8","2","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.0524","","","","0.1564","","","","","","1.036","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153224","15.661","0.003","11.1268","0.0016","9.4295","0.0013","90","","94.714","0.005","90","","1637.6","0.5","173","","173","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 F4 -","- C16 H28 F4 -","- C64 H112 F16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","1.54187","CuKα","","","0.0505","","","","0.1249","","","","","","1.217","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153225","8.9168","0.0016","21.949","0.004","9.1106","0.0018","90","","114.469","0.008","90","","1622.9","0.5","93","","93","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H28 F4 -","- C16 H28 F4 -","- C64 H112 F16 -","4","1","","Skibiński, Maciej; Urbina-Blanco, César A; Slawin, Alexandra M. Z.; Nolan, Steven P.; O'Hagan, David","Synthesis and structure of large difluoromethylene containing alicycles by ring closing metathesis (RCM).","Organic & biomolecular chemistry","2013","11","47","8209","8213","10.1039/c3ob42062k","","","0.71075","MoKα","","","0.0857","","","","0.2676","","","","","","1.024","","","","has coordinates","180318","2020-10-21","18:00:00",""
"7153758","10.979","0.004","10.814","0.004","16.912","0.006","90","","99.916","0.005","90","","1977.9","1.2","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","?acyl","4,5-dibromo-N-(3-(imidazo[1,2-a]pyrimidin-3-yl)-3-oxopropyl)-1H-pyrrole-2-carboxamide ?","","- C15 H12 Br2 Cl3 N5 O2 -","- C15 H12 Br2 Cl3 N5 O2 -","- C60 H48 Br8 Cl12 N20 O8 -","4","1","","Rasapalli, Sivappa; Kumbam, Venkatreddy; Dhawane, Abasaheb N.; Golen, James A.; Lovely, Carl J.; Rheingold, Arnold L.","Total syntheses of oroidin, hymenidin and clathrodin.","Organic & biomolecular chemistry","2013","11","25","4133","4137","10.1039/c3ob40668g","","","0.71073","MoKα","","0.0684","0.0449","","","0.0799","0.0899","","","","","","1.093","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153759","11.3351","0.0008","8.8693","0.0006","13.8303","0.0009","90","","97.095","0.001","90","","1379.77","0.16","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C29 H33 F3 O9 -","- C29 H33 F3 O9 -","- C58 H66 F6 O18 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0544","0.0469","","","0.1194","0.1275","","","","","","1.02","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153760","13.0117","0.0008","8.5712","0.0005","20.0486","0.0012","90","","99.543","0.001","90","","2205","0.2","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C45 H56 N2 O13 -","- C45 H56 N2 O13 -","- C90 H112 N4 O26 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0479","0.0405","","","0.1063","0.119","","","","","","1.061","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153761","12.9183","0.0017","8.5389","0.0012","19.772","0.003","90","","98.06","0.002","90","","2159.5","0.5","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C45 H55 F N2 O12 -","- C45 H55 F N2 O12 -","- C90 H110 F2 N4 O24 -","2","1","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.0639","0.0506","","","0.1101","0.121","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153762","16.388","0.008","10.033","0.005","28.031","0.014","90","","92.717","0.006","90","","4604","4","296","2","296","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C43 H57 N O15 -","- C43 H53 N O14 -","- C172 H212 N4 O56 -","4","2","","Nicolaou, Kyriacos C.; Valiulin, Roman A.","Synthesis and biological evaluation of new paclitaxel analogs and discovery of potent antitumor agents.","Organic & biomolecular chemistry","2013","11","25","4154","4163","10.1039/c3ob40654g","","","0.71073","MoKα","","0.3611","0.1245","","","0.2904","0.3775","","","","","","1.167","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153763","8.9076","0.0005","9.0591","0.0005","17.7228","0.001","97.88","0.001","103.75","0.001","102.067","0.001","1331.93","0.13","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C22 H30 Cs2 N2 O7 S -","- C22 H30 Cs2 N2 O7 S -","- C44 H60 Cs4 N4 O14 S2 -","2","1","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0287","0.0233","","","0.0621","0.0723","","","","","","1.134","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153764","7.399","0.003","9.641","0.005","12.392","0.006","95.954","0.008","96.675","0.008","96.258","0.008","866.7","0.7","100","","100","","","","","","","","","4","P -1","-P 1","2","","","","- C36 H40 Br4 N4 -","- C36 H40 Br4 N4 -","- C36 H40 Br4 N4 -","1","0.5","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.1281","0.0966","","","0.2542","0.2815","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153765","10.0192","0.0009","10.1213","0.0009","11.659","0.0011","110.849","0.002","103.926","0.002","103.909","0.002","1000.74","0.16","173","","173","","","","","","","","","4","P -1","-P 1","2","","","","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","- C44 H52 N4 O8 -","1","0.5","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0693","0.0529","","","0.1359","0.1477","","","","","","1.022","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153766","13.997","0.004","13.997","0.004","23.804","0.006","90","","90","","90","","4664","2","120","","120","","","","","","","","","7","P 4/n :2","-P 4a","85","","","","- C90 H106 Ag2 F6 N8 O23 S2 -","- C90 H104 Ag2 F6 N8 O23 S2 -","- C180 H208 Ag4 F12 N16 O46 S4 -","2","0.25","","Habata, Yoichi; Okeda, Yoko; Ikeda, Mari; Kuwahara, Shunsuke","The water-soluble argentivorous molecule: Ag(+)-π interactions in water.","Organic & biomolecular chemistry","2013","11","25","4265","4270","10.1039/c3ob40125a","","","0.71073","MoKα","","0.0721","0.056","","","0.1417","0.154","","","","","","1.118","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153767","9.835","0.0009","11.3859","0.0011","20.5315","0.0018","95.285","0.002","90.429","0.002","103.41","0.002","2225.9","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C27 H25 N O2 S -","- C27 H25 N O2 S -","- C108 H100 N4 O8 S4 -","4","2","","Chen, Kai; Sun, Run; Xu, Qin; Wei, Yin; Shi, Min","Thermal induced intramolecular [2 + 2] cycloaddition of allene-ACPs.","Organic & biomolecular chemistry","2013","11","24","3949","3953","10.1039/c3ob40911b","","","0.71073","MoKα","","0.0676","0.0512","","","0.132","0.1452","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153768","17.295","0.002","9.6616","0.0013","29.081","0.004","90","","99.435","0.003","90","","4793.6","1.1","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C27 H26 Cl N O2 S -","- C27 H26 Cl N O2 S -","- C216 H208 Cl8 N8 O16 S8 -","8","2","","Chen, Kai; Sun, Run; Xu, Qin; Wei, Yin; Shi, Min","Thermal induced intramolecular [2 + 2] cycloaddition of allene-ACPs.","Organic & biomolecular chemistry","2013","11","24","3949","3953","10.1039/c3ob40911b","","","0.71073","MoKα","","0.0989","0.0609","","","0.1492","0.1733","","","","","","1.023","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153769","9.222","0.001","10.052","0.0014","9.82","0.0012","90","","105.015","0.009","90","","879.23","0.19","173","2","173","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C19 H24 O4 -","- C19 H24 O4 -","- C38 H48 O8 -","2","1","","Miesch, Laurence; Welsch, Tania; Miesch, Michel","Stereoselective cross aldol condensation of bicyclo[3.2.0]alkanones.","Organic & biomolecular chemistry","2013","11","24","4025","4029","10.1039/c3ob40431e","","","0.71073","MoKα","","0.1163","0.0577","","","0.0884","0.1039","","","","","","1.02","","","","has coordinates","180323","2020-10-21","18:00:00",""
"7153770","10.901","0.003","5.9316","0.0018","30.312","0.009","90","","91.762","0.005","90","","1959.1","1","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H17 Cl N4 O3 S -","- C21 H17 Cl N4 O3 S -","- C84 H68 Cl4 N16 O12 S4 -","4","1","","Niu, Xiaoyi; Yang, Bingchuan; Li, Yanqiu; Fang, Shuai; Huang, Zixiao; Xie, Caixia; Ma, Chen","A transition metal-free tandem process to pyridazinopyrido[3,2-f][1,4]thiazepine-diones via Smiles rearrangement.","Organic & biomolecular chemistry","2013","11","24","4102","4108","10.1039/c3ob40719e","","","0.71073","MoKα","","0.124","0.0558","","","0.1595","0.2185","","","","","","0.844","","","","has coordinates","180323","2020-10-21","18:00:00",""