# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-20T20:47:07+02:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Organic & biomolecular chemistry') AND volume = 4 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"7150384","11.234","0.0002","16.394","0.0002","20.993","0.0003","90","","90","","90","","3866.28","0.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C38 H53 N5 O6 S -","- C38 H53 N5 O6 S -","- C152 H212 N20 O24 S4 -","4","1","","Nyangulu, James M.; Nelson, Ken M.; Rose, Patricia A.; Gai, Yuanzhu; Loewen, Mary; Lougheed, Brenda; Quail, J. Wilson; Cutler, Adrian J.; Abrams, Suzanne R.","Synthesis and biological activity of tetralone abscisic acid analogues.","Organic & biomolecular chemistry","2006","4","7","1400","1412","10.1039/b509193d","","","0.71073","MoKα","","0.0541","0.042","","","0.0932","0.0992","","","","","","1.033","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150385","14.7325","0.0004","15.2366","0.0002","19.0213","0.0003","90","","90","","90","","4269.77","0.15","293","","293.15","","","","","","","","","6","P 21 21 2","P 2 2ab","18","","","","- C93 H82 Cl4 Cu2 N4 O8 -","- C93 H82 Cl4 Cu2 N4 O8 -","- C186 H164 Cl8 Cu4 N8 O16 -","2","0.5","","Lyle, Michael P. A.; Draper, Neil D.; Wilson, Peter D.","Synthesis and evaluation of new chiral nonracemic C2-symmetric and unsymmetric 2,2'-bipyridyl ligands.","Organic & biomolecular chemistry","2006","4","5","877","885","10.1039/b513286j","","","1.5418","Copper","","0.0658","0.0532","","0.1033","0.075","0.075","","","","","","0.6013","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150386","13.47","0.05","10.86","0.04","21.4","0.1","90","","90","","90","","3130","2","153","2","153","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C19 H18 O4 -","- C19 H18 O4 -","- C152 H144 O32 -","8","1","","Cousin, David; Mann, John; Nieuwenhuyzen, Mark; van den Berg, Hendrik","A new approach to combretastatin D2.","Organic & biomolecular chemistry","2006","4","1","54","62","10.1039/b513515j","","","0.71073","MoKα","","0.3103","0.1041","","","0.2006","0.2935","","","","","","0.843","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150387","16.6913","0.0012","13.6741","0.0007","15.0144","0.0009","90","","91.6","0.008","90","","3425.5","0.4","200","","","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C36 H42 F6 N3 O2 P -","- C36 H42 F6 N3 O2 P -","- C144 H168 F24 N12 O8 P4 -","4","1","","Mobian, Pierre; Banerji, Natalie; Bernardinelli, Gérald; Lacour, Jérôme","Towards the stereoselective synthesis of inherently chiral pseudorotaxanes.","Organic & biomolecular chemistry","2006","4","2","224","231","10.1039/b513562a","","","0.71073","MoKα","","","0.042","","","","0.037","","","","","","1.03","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150388","12.902","0.003","12.479","0.003","15.918","0.004","90","","100.206","0.004","90","","2522.3","1.1","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H25 N9 O2 -","- C27 H25 N9 O2 -","- C108 H100 N36 O8 -","4","1","","Zhao, Jun-Feng; Xie, Chang; Xu, Sheng-Zhen; Ding, Ming-Wu; Xiao, Wen-Jing","Iminophosphorane-mediated efficient synthesis of new tricyclic 3,5-dihydro-1,2,3-triazolo[4,5-d]-1,2,4-triazolo[1,5-a]pyrimidin-9-ones.","Organic & biomolecular chemistry","2006","4","1","130","134","10.1039/b513715b","","","0.71073","MoKα","","0.1382","0.0738","","","0.1508","0.1785","","","","","","1.036","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150389","12.895","0.003","9.91","0.002","13.175","0.003","90","","90.54","0.03","90","","1683.6","0.6","293","2","293","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H13 Cl2 N O3 -","- C19 H13 Cl2 N O3 -","- C76 H52 Cl8 N4 O12 -","4","1","","Zhang, Min; An, Hui-Ying; Zhao, Bao-Guo; Xu, Jian-Hua","Aromatic annulation strategy for naphthalenes fused at 1,2- and 3,4-positions with two heterocycles.","Organic & biomolecular chemistry","2006","4","1","33","35","10.1039/b514496e","","","0.71073","MoKα","","0.0926","0.0536","","","0.1931","0.2266","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150390","9.526","0.0019","18.319","0.004","7.942","0.0016","90","","96.25","0.03","90","","1377.7","0.5","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H11 N O3 -","- C19 H11 N O3 -","- C76 H44 N4 O12 -","4","1","","Zhang, Min; An, Hui-Ying; Zhao, Bao-Guo; Xu, Jian-Hua","Aromatic annulation strategy for naphthalenes fused at 1,2- and 3,4-positions with two heterocycles.","Organic & biomolecular chemistry","2006","4","1","33","35","10.1039/b514496e","","","0.71073","MoKα","","0.1278","0.0551","","","0.1188","0.1572","","","","","","1","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150391","10.5068","0.0003","12.0843","0.0003","21.5489","0.0007","90","","102.703","0.001","90","","2669.04","0.13","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C48 H58 B2 F8 N6 O12 -","- C48 H58 B2 F8 N6 O12 -","- C96 H116 B4 F16 N12 O24 -","2","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1768","0.0824","","","0.21","0.2529","","","","","","0.939","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150392","12.2482","0.0007","37.03","0.002","13.0751","0.0007","90","","111.498","0.002","90","","5517.7","0.5","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C56 H62 B2 F8 N6 O12 -","- C56 H62 B2 F8 N6 O12 -","- C224 H248 B8 F32 N24 O48 -","4","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1529","0.1121","","","0.2105","0.2335","","","","","","1.157","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150393","11.67","0.0009","13.1966","0.001","17.1182","0.0013","91.475","0.002","96.658","0.002","91.858","0.002","2616","0.3","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C50 H60 B2 F8 N4 O12 -","- C50 H60 B2 F8 N4 O12 -","- C100 H120 B4 F16 N8 O24 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.0938","0.0713","","","0.1957","0.2168","","","","","","1.039","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150394","12.3959","0.0008","19.1294","0.0012","12.9148","0.0008","90","","112.855","0.001","90","","2822","0.3","293","2","293","2","","","","","","","","6","P 1 n 1","P -2yac","7","","","","- C58 H64 B2 F8 N4 O12 -","- C58 H64 B2 F8 N4 O12 -","- C116 H128 B4 F16 N8 O24 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1284","0.095","","","0.2081","0.2236","","","","","","1.117","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150395","13.2421","0.0004","15.7037","0.0005","12.1739","0.0004","90","","94.909","0.001","90","","2522.28","0.14","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C46 H60 B2 F8 N4 O12 -","- C46 H60 B2 F8 N4 O12 -","- C92 H120 B4 F16 N8 O24 -","2","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1625","0.094","","","0.2672","0.3025","","","","","","1.045","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150396","9.3357","0.0001","22.4319","0.0003","25.0932","0.0002","90","","90","","90","","5254.95","0.1","293","2","293","2","","","","","","","","6","P b c a","-P 2ac 2ab","61","","","","- C44 H60 B2 F8 N4 O16 -","- C44 H60 B2 F8 N4 O16 -","- C176 H240 B8 F32 N16 O64 -","4","0.5","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1786","0.1437","","","0.2894","0.3084","","","","","","1.293","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150397","10.4924","0.0006","16.5364","0.001","10.7738","0.0006","90","","96.584","0.001","90","","1857","0.19","293","2","293","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C30 H50 B2 F8 N2 O10 -","- C30 H50 B2 F8 N2 O10 -","- C60 H100 B4 F16 N4 O20 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.0891","0.0807","","","0.2265","0.2357","","","","","","1.083","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150398","17.433","0.005","20.012","0.005","19.631","0.005","90","","93.572","0.004","90","","6835","3","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H46 B2 F8 N2 O8 -","- C28 H46 B2 F8 N2 O8 -","- C224 H368 B16 F64 N16 O64 -","8","2","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1374","0.0684","","","0.1509","0.1851","","","","","","1.024","","","","has coordinates,has disorder","180289","2020-10-21","18:00:00",""
"7150399","13.598","0.002","16.807","0.003","17.859","0.003","87.625","0.003","87.329","0.003","70.059","0.002","3831.2","1.1","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C76 H82 B4 F16 N8 O9 -","- C76 H82 B4 F16 N8 O9 -","- C152 H164 B8 F32 N16 O18 -","2","1","","Loeb, Stephen J.; Tiburcio, Jorge; Vella, Sarah J.; Wisner, James A.","A versatile template for the formation of [2]pseudorotaxanes. 1,2-Bis(pyridinium)ethane axles and 24-crown-8 ether wheels.","Organic & biomolecular chemistry","2006","4","4","667","680","10.1039/b514528g","","","0.71073","MoKα","","0.1889","0.1039","","","0.2836","0.3487","","","","","","1.039","","","","has coordinates","180289","2020-10-21","18:00:00",""
"7150400","7.332","0.0014","8.9703","0.0018","14.588","0.003","73.464","0.004","84.582","0.003","77.268","0.003","896.6","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H27 N O2 -","- C21 H27 N O2 -","- C42 H54 N2 O4 -","2","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Johnson, Paul; Lai, Lai Wah; Pink, Jennifer H.; Stimson, Christopher C.; Vassiliou, Neoclis; Westlund, Neil; Yasin, Samreen A.; Youssef, Latifa H.","Conformational preference in aromatic amides bearing chiral ortho substituents: its origin and application to relayed stereocontrol.","Organic & biomolecular chemistry","2006","4","3","424","443","10.1039/b514557k","","","0.71073","MoKα","","0.0658","0.0405","","","0.0814","0.0875","","","","","","0.892","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150401","10.547","0.008","12.605","0.005","12.023","0.004","90","","96.44","0.04","90","","1588.3","1.5","296.2","","296.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H45 N3 O3 -","- C31 H45 N3 O3 -","- C62 H90 N6 O6 -","2","1","","Betson, Mark S.; Clayden, Jonathan; Helliwell, Madeleine; Johnson, Paul; Lai, Lai Wah; Pink, Jennifer H.; Stimson, Christopher C.; Vassiliou, Neoclis; Westlund, Neil; Yasin, Samreen A.; Youssef, Latifa H.","Conformational preference in aromatic amides bearing chiral ortho substituents: its origin and application to relayed stereocontrol.","Organic & biomolecular chemistry","2006","4","3","424","443","10.1039/b514557k","","","1.5418","CuKα","","0.0981","0.05","","","0.1283","0.1645","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150402","14.361","0.003","7.2093","0.0013","31.922","0.005","90","","92.459","0.014","90","","3301.9","1","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C35 H45 N3 O3 -","- C35 H45 N3 O3 -","- C140 H180 N12 O12 -","4","1","","Clayden, Jonathan; Foricher, Yann J. Y.; Helliwell, Madeleine; Johnson, Paul; Mitjans, David; Vinader, Victoria","Conformational arm-wrestling: battles for stereochemical control in benzamides bearing matched and mismatched chiral 2- and 6-substituents.","Organic & biomolecular chemistry","2006","4","3","444","454","10.1039/b514558a","","","1.5418","CuKα","","0.0858","0.0486","","","0.1245","0.1425","","","","","","1.028","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150403","7.626","0.004","20.455","0.004","19.1","0.006","90","","93.27","0.04","90","","2974.6","1.9","296.2","","296.2","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C33 H45 N3 O2 -","- C33 H45 N3 O2 -","- C132 H180 N12 O8 -","4","1","","Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.; Helliwell, Madeleine","Diastereoselective synthesis of atropisomers containing two non-biaryl stereogenic axes: stereochemical relay through stereogenic centres in dihydrostilbene-2,2'-dicarboxamides.","Organic & biomolecular chemistry","2006","4","3","455","461","10.1039/b514561a","","","1.5418","CuKα","","0.0733","0.0396","","0.0374","0.0339","","","","1.773","1.986","1.986","","","","","has coordinates","209482","2020-10-21","18:00:00",""
"7150404","15.179","0.003","7.728","0.002","28.337","0.006","90","","90","","90","","3324","1.3","123","1","123","1","","","","","","","","4","P n a 21","P 2c -2n","33","RWX0315/Wilson/NW-G020/5107/25-9-98.","","","- C38 H51 N3 O2 -","- C37.5 H47 N2.5 O2 -","- C150 H188 N10 O8 -","4","1","","Clayden, Jonathan; Westlund, Neil; Frampton, Christopher S.; Helliwell, Madeleine","Diastereoselective synthesis of atropisomers containing two non-biaryl stereogenic axes: stereochemical relay through stereogenic centres in dihydrostilbene-2,2'-dicarboxamides.","Organic & biomolecular chemistry","2006","4","3","455","461","10.1039/b514561a","","","0.71073","MoKα","","0.0524","0.0442","","","0.1178","0.1249","","","","","","1.033","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150405","18.4408","0.0021","5.2153","0.0006","24.8543","0.0028","90","","98.765","0.002","90","","2362.4","0.5","20","","20","","","","","","","","Sigma Aldrich","4","C 1 2 1","C 2y","5","L-Alanyl-L-alanyl-L-alanine","L-Alanyl-L-alanyl-L-alanine","","- C9 H18 N3 O4.5 -","- C9 H18 N3 O4.25 -","- C72 H144 N24 O34 -","8","2","","Rödel, E; Messerschmidt, M.; Dittrich, B.; Luger, P.","Atomic and bond topological properties of the tripeptide L-alanyl-L-alanyl-L-alanine based on its experimental charge density obtained at 20 K.","Organic & biomolecular chemistry","2006","4","3","475","481","10.1039/b514717d","","x-ray","0.71073","MoKa","","0.0247","0.0183","","","","0.0153","","","","","","0.665","","","","has coordinates","192340","2020-10-21","18:00:00",""
"7150406","4.8305","0.0008","13.532","0.002","26.21","0.004","90","","90","","90","","1713.3","0.5","295","2","295","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C18 H19 N O3 Se -","- C18 H19 N O3 Se -","- C72 H76 N4 O12 Se4 -","4","1","","Fenner, Tahli; White, Jonathan M.; Schiesser, Carl H.","Preparation of 2,3-dihydroselenolo[2,3-b]pyridines and related compounds by free-radical means.","Organic & biomolecular chemistry","2006","4","3","466","474","10.1039/b515385a","","","0.71073","MoKα","","0.0643","0.0408","","","0.0745","0.0791","","","","","","0.81","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150407","22.4722","0.0003","7.8727","0.0001","19.961","0.0002","90","","112.178","0.001","90","","3270.17","0.07","296","2","296","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C16 H23 N O3 S -","- C16 H23 N O3 S -","- C128 H184 N8 O24 S8 -","8","1","","Cariou, Claire A. M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations.","Organic & biomolecular chemistry","2006","4","1","51","53","10.1039/b515547a","","","1.54178","CuKα","","0.0423","0.0392","","","0.1123","0.115","","","","","","1.09","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150408","8.4757","0.0001","19.208","0.0003","11.8021","0.0002","90","","97.964","0.001","90","","1902.87","0.05","296","2","296","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C18 H27 N O3 S -","- C18 H27 N O3 S -","- C72 H108 N4 O12 S4 -","4","2","","Cariou, Claire A. M.; Snaith, John S.","Stereoselective synthesis of 2,4,5-trisubstituted piperidines by carbonyl ene and Prins cyclisations.","Organic & biomolecular chemistry","2006","4","1","51","53","10.1039/b515547a","","","1.54178","CuKα","","0.0413","0.0374","","","0.0998","0.1035","","","","","","1.031","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150409","11.9328","0.0002","11.9328","0.0002","20.0477","0.0005","90","","90","","120","","2472.18","0.09","120","2","120","2","","","","","","","","5","P 63","P 6c","173","","","","- C47 H42 F18 N7 P3 -","- C46.99 H39 F18 N6.99 P3 -","- C93.98 H78 F36 N13.98 P6 -","2","0.333333","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.0479","0.0396","","","0.0949","0.0993","","","","","","1.068","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150410","11.1149","0.0015","30.678","0.003","15.2165","0.0019","90","","90.413","0.005","90","","5188.4","1.1","120","2","120","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C45 H53 F18 N6 O4 P3 -","- C45 H45 F18 N6 O3 P3 -","- C180 H180 F72 N24 O12 P12 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.2538","0.1203","","","0.279","0.355","","","","","","1.015","","","","has coordinates","180290","2020-10-21","18:00:00",""
"7150411","9.8279","0.0002","30.0349","0.001","20.0581","0.0006","90","","99.28","0.002","90","","5843.3","0.3","120","2","120","2","","","","","","","","6","C 1 c 1","C -2yc","9","","","","- C60 H64 F12 N6 O7 P2 -","- C60 H64 F12 N6 O7 P2 -","- C240 H256 F48 N24 O28 P8 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.0681","0.0515","","","0.1123","0.121","","","","","","1.006","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150412","10.8286","0.0008","18.3316","0.0012","24.2103","0.0014","90","","100.766","0.003","90","","4721.3","0.5","120","2","120","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","trisester","","","- C41 H50 Br3 Cl6 N3 O6 -","- C41 H50 Br3 Cl6 N3 O6 -","- C164 H200 Br12 Cl24 N12 O24 -","4","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.1347","0.0785","","","0.1575","0.1764","","","","","","1.036","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150413","10.6106","0.0004","12.4052","0.0005","20.5253","0.0005","82.503","0.002","78.979","0.002","72.937","0.002","2527.14","0.16","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C48 H60 Br3 N6 O4.5 -","- C48 H60 Br3 N6 O4.5 -","- C96 H120 Br6 N12 O9 -","2","1","","Belcher, Warwick J.; Fabre, Muriel; Farhan, Tamer; Steed, Jonathan W.","Pyridinium CH...anion and pi-stacking interactions in modular tripodal anion binding hosts: ATP binding and solid-state chiral induction.","Organic & biomolecular chemistry","2006","4","5","781","786","10.1039/b516027h","","","0.71073","MoKα","","0.1047","0.074","","","0.1788","0.1982","","","","","","1.035","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150414","16.07","0.02","8.501","0.008","17","0.03","90","","104.48","0.11","90","","2249","5","200","2","200","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C23 H31 N3 O3 -","- C23 H31 N3 O3 -","- C92 H124 N12 O12 -","4","1","","Matsuhira, Takashi; Yamamoto, Hitoshi; Onoda, Akira; Okamura, Taka-Aki; Ueyama, Norikazu","Photoinduced switching of intramolecular hydrogen bond between amide NH and carboxyl oxygen.","Organic & biomolecular chemistry","2006","4","7","1338","1342","10.1039/b516049a","","","0.71075","MoKα","","0.1971","0.059","","","0.0875","0.1029","","","","","","0.858","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150415","5.104","0.0015","9.469","0.003","13.78","0.004","80.141","0.005","86.042","0.005","89.932","0.005","654.5","0.3","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-betaAla-NHMe","","","- C10 H20 N2 O3 -","- C10 H20 N2 O3 -","- C20 H40 N4 O6 -","2","2","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0544","0.0494","","","0.1359","0.1403","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150416","8.73","0.002","9.741","0.003","17.509","0.005","90","","90","","90","","1488.9","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-NHMe","","","- C12 H24 N2 O3 -","- C12 H24 N2 O3 -","- C48 H96 N8 O12 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0511","0.0483","","","0.1326","0.1355","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150417","20.536","0.012","5.165","0.003","16.872","0.01","90","","109.824","0.009","90","","1683.5","1.7","293","2","293","2","","","","","","","","4","C 1 2 1","C 2y","5","Boc-betaPhe-NHMe","","","- C16 H24 N2 O3 -","- C16 H24 N2 O3 -","- C64 H96 N8 O12 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.121","0.0909","","","0.1912","0.2061","","","","","","1.184","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150418","9.3852","0.0017","11.899","0.002","19.199","0.004","90","","90","","90","","2144","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-betaVal-OMe","","","- C18 H34 N2 O5 -","- C18 H34 N2 O5 -","- C72 H136 N8 O20 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0605","0.0585","","","0.1559","0.1574","","","","","","1.307","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150419","5.17","0.004","10.86","0.008","37.3","0.03","90","","90","","90","","2094","3","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Boc-betaVal-betaDVal-OMe","","","- C18 H34 N2 O5 -","- C18 H34 N2 O5 -","- C72 H136 N8 O20 -","4","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.1091","0.0787","","","0.1588","0.1809","","","","","","1.273","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150420","5.989","0.002","6.651","0.002","8.661","0.003","70.749","0.005","77.415","0.005","86.976","0.005","317.81","0.18","293","2","293","2","","","","","","","","4","P 1","P 1","1","Boc-betaPro-OH","","","- C11 H19 N O4 -","- C11 H19 N O4 -","- C11 H19 N O4 -","1","1","","Sengupta, Anindita; Roy, Rituparna S.; Sabareesh, Varatharajan; Shamala, Narayanaswamy; Balaram, Padmanabhan","Aggregation modes in sheets formed by protected beta-amino acids and beta-peptides.","Organic & biomolecular chemistry","2006","4","6","1166","1173","10.1039/b516088j","","","0.71073","MoKα","","0.0589","0.0566","","","0.1641","0.1666","","","","","","1.122","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150421","7.942","0.0017","13.862","0.003","8.4623","0.0019","90","","90","","90","","931.6","0.4","150","2","150","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C10 H12 N4 O -","- C10 H12 N4 O -","- C40 H48 N16 O4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0522","0.045","","","0.1141","0.1186","","","","","","1.086","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150422","7.8532","0.0012","12.4259","0.0019","11.0895","0.0017","90","","108.807","0.002","90","","1024.4","0.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H12 N4 S -","- C10 H12 N4 S -","- C40 H48 N16 S4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0605","0.045","","","0.122","0.1328","","","","","","1.051","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150423","8.6545","0.0012","15.734","0.002","7.7979","0.0011","90","","96.473","0.002","90","","1055.1","0.2","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","7-amino-3,4-dihydro-1h-5-thia-1,6,8-triazaacenaphtylene","","- C9 H12 N4 O S -","- C9 H12 N4 O S -","- C36 H48 N16 O4 S4 -","4","1","","Hornillo-Araujo, Ana R; Burrell, Adam J. M.; Aiertza, Miren K.; Shibata, Takayuki; Hammond, David M.; Edmont, Dolorès; Adams, Harry; Margison, Geoffrey P.; Williams, David M.","The syntheses and properties of tricyclic pyrrolo[2,3-d]pyrimidine analogues of S6-methylthioguanine and O6-methylguanine.","Organic & biomolecular chemistry","2006","4","9","1723","1729","10.1039/b516447h","","","0.71073","MoKα","","0.0437","0.0349","","","0.0904","0.0948","","","","","","1.07","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150424","7.4112","0.0004","15.3453","0.0008","19.811","0.001","90","","90","0.001","90","","2253","0.2","193.2","","193.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O Si -","- C22 H28 N4 O Si -","- C88 H112 N16 O4 Si4 -","4","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","0.7107","MoKα","","0.0508","0.039","","0.039","","0.037","","","1.353","","","1.43","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150425","17.488","0.001","17.514","0.001","7.601","0.002","90","","90","","90","","2328.1","0.6","299.2","","299.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C22 H28 N4 O Si -","- C22 H28 N4 O Si -","- C88 H112 N16 O4 Si4 -","4","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","1.5418","CuKα","","0.0464","0.039","","0.043","","0.042","","","2.546","","","2.63","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150426","8.087","0.001","11.369","0.001","14.0678","0.0009","90","","104.498","0.007","90","","1252.2","0.2","299.2","","299.2","","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C24 H33 N3 O3 Si -","- C24 H33 N3 O3 Si -","- C48 H66 N6 O6 Si2 -","2","1","","Morrison, Christopher F.; Vaters, Jamie P.; Miller, David O.; Burnell, D. Jean","Facial selectivity in the 4 + 2 reactions of a diene derived from carvone","Organic & Biomolecular Chemistry","2006","4","6","1160","","10.1039/b516675f","","","1.5418","CuKα","","0.0374","0.036","","0.038","","0.038","","","3.701","","","3.77","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150427","14.365","0.003","8.446","0.002","12.304","0.002","90","","97.88","0.03","90","","1478.7","0.5","200","2","200","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C15 H22 N2 O2 -","- C15 H22 N2 O2 -","- C60 H88 N8 O8 -","4","1","","Neumann, Helfried; Strübing, Dirk; Lalk, Michael; Klaus, Stefan; Hübner, Sandra; Spannenberg, Anke; Lindequist, Ulrike; Beller, Matthias","Synthesis and antimicrobial activity of N-analogous corollosporines.","Organic & biomolecular chemistry","2006","4","7","1365","1375","10.1039/b517101f","","","0.71073","MoKα","","0.0787","0.0654","","","0.1849","0.193","","","","","","1.085","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150428","8.917","0.002","8.949","0.002","10.953","0.002","96.61","0.03","97.73","0.03","99.99","0.03","844.3","0.3","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C17 H24 N2 O3 -","- C17 H24 N2 O3 -","- C34 H48 N4 O6 -","2","1","","Neumann, Helfried; Strübing, Dirk; Lalk, Michael; Klaus, Stefan; Hübner, Sandra; Spannenberg, Anke; Lindequist, Ulrike; Beller, Matthias","Synthesis and antimicrobial activity of N-analogous corollosporines.","Organic & biomolecular chemistry","2006","4","7","1365","1375","10.1039/b517101f","","","0.71073","MoKα","","0.0968","0.0522","","","0.1307","0.1441","","","","","","0.86","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150429","12.358","0.001","14.623","0.001","19.349","0.002","90","","106.678","0.001","90","","3349.5","0.5","170","1","170","1","","","","","","","see text","6","P 1 21 1","P 2yb","4","1,2-bis(2'-methyl-5'-((((R)-1-phenylethyl)amino)carbonyl)- thien-3'-yl)-perfluorocyclopentene","1,2-bis(2'-methyl-5'-{[((R)-1-phenylethyl)amino]carbonyl}-thien-3'-yl)- perfluorocyclopentene","","- C33 H28 F6 N2 O2 S2 -","- C33 H28 F6 N2 O2 S2 -","- C132 H112 F24 N8 O8 S8 -","4","2","","Uchida, Kingo; Walko, Martin; de Jong, Jaap J. D.; Sukata, Shin-ichiro; Kobatake, Seiya; Meetsma, Auke; van Esch, Jan; Feringa, Ben L.","Diastereoselective cyclization of a dithienylethene switch through single crystal confinement.","Organic & biomolecular chemistry","2006","4","6","1002","1006","10.1039/b517370a","","","0.71073","MoKα","","0.0948","0.0667","","","0.1546","0.17","","","","","","1.035","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150430","7.1187","0.0002","12.4355","0.0002","10.625","0.0003","90","","105.545","0.0008","90","","906.17","0.04","150","","150","","","","","","","","synthesis as described","4","P 1 21/n 1","-P 2yn","14","","","","- C9 H13 N O3 -","- C9 H13 N O3 -","- C36 H52 N4 O12 -","4","1","","Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu","The ammonia-free partial reduction of substituted pyridinium salts.","Organic & biomolecular chemistry","2006","4","6","1071","1084","10.1039/b517462g","","","0.71073","MoKα","","0.0502","0.0372","","0.0539","0.0459","0.0459","","","","","","1.0774","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150431","8.0683","0.0002","10.3413","0.0002","20.1216","0.0004","90","","100.613","0.0009","90","","1650.16","0.06","150","","150","","","","","","","","synthesis as described","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N O4 -","- C19 H23 N O4 -","- C76 H92 N4 O16 -","4","1","","Donohoe, Timothy J.; Johnson, Dale J.; Mace, Laura H.; Thomas, Rhian E.; Chiu, Jessica Y. K.; Rodrigues, Jason S.; Compton, Richard G.; Banks, Craig E.; Tomcik, Peter; Bamford, Mark J.; Ichihara, Osamu","The ammonia-free partial reduction of substituted pyridinium salts.","Organic & biomolecular chemistry","2006","4","6","1071","1084","10.1039/b517462g","","","0.71073","MoKα","","0.056","0.0397","","0.0521","0.0463","0.0463","","","","","","1.0912","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150432","12.174","0.001","21.549","0.001","7.6755","0.0003","90","","90","","90","","2013.6","0.2","183.2","","183.2","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H25 F N2 O3 -","- C23 H25 F N2 O3 -","- C92 H100 F4 N8 O12 -","4","1","","Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.","Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.","Organic & biomolecular chemistry","2006","4","9","1768","1784","10.1039/b517572k","","","0.7107","MoKalpha","","","0.0407","","","0.0404","","","","","1.478","1.478","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150433","7.884","0.001","5.6159","0.0004","17.964","0.001","90","","90.753","0.004","90","","795.3","0.12","183.2","","183.2","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H18 N2 O3 -","- C19 H18 N2 O3 -","- C38 H36 N4 O6 -","2","1","","Peng, Hairuo; Carrico, Dora; Thai, Van; Blaskovich, Michelle; Bucher, Cynthia; Pusateri, Erin E.; Sebti, Said M.; Hamilton, Andrew D.","Synthesis and evaluation of potent, highly-selective, 3-aryl-piperazinone inhibitors of protein geranylgeranyltransferase-I.","Organic & biomolecular chemistry","2006","4","9","1768","1784","10.1039/b517572k","","","0.7107","MoKalpha","","","0.0404","","","0.0418","","","","","1.508","1.508","","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7150434","6.0153","0.0005","12.4888","0.0009","15.2629","0.001","90","","90","","90","","1146.61","0.15","250","","250","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C11 H15 N O5 -","- C11 H15 N O5 -","- C44 H60 N4 O20 -","4","1","","Li, Hongqing; Schütz, Catherine; Favre, Sylvain; Zhang, Yongmin; Vogel, Pierre; Sinaÿ, Pierre; Blériot, Yves","Nucleophilic opening of epoxyazepanes: expanding the family of polyhydroxyazepane-based glycosidase inhibitors.","Organic & biomolecular chemistry","2006","4","9","1653","1662","10.1039/b518117h","","","0.71073","MoKα","","0.104","0.0593","","0.0738","0.053","0.053","","","","","","1.1381","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150435","28.764","0.003","12.3834","0.0013","11.8736","0.0013","90","","104.728","0.002","90","","4090.4","0.8","100","2","100","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C39 H68 N O13.5 -","- C39 H68 N O13.5 -","- C156 H272 N4 O54 -","4","1","","Hassanzadeh, Addolreza; Helliwell, Madeleine; Barber, Jill","Determination of the stereochemistry of anhydroerythromycin A, the principal degradation product of the antibiotic erythromycin A.","Organic & biomolecular chemistry","2006","4","6","1014","1019","10.1039/b518182h","","","0.71073","MoKα","","0.0343","0.0314","","","0.0722","0.0731","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150436","9.807","0.0008","11.749","0.0012","16.027","0.002","90","","90","","90","","1846.7","0.3","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted","Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.","Organic & biomolecular chemistry","2006","4","8","1546","1554","10.1039/b600121a","","","0.71073","MoKα","","0.055","0.0428","","","0.0998","0.1093","","","","","","1.117","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150437","9.884","0.0016","11.711","0.0011","16.091","0.002","90","","90","","90","","1862.6","0.4","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C22 H29 N -","- C22 H29 N -","- C88 H116 N4 -","4","1","","Petersen, Michael Axman; Nielsen, Iben B.; Kristensen, Michael B.; Kadziola, Anders; Lammich, Lutz; Andersen, Lars H.; Nielsen, Mogens Brøndsted","Novel retinylidene iminium salts for defining opsin shifts: synthesis and intrinsic chromophoric properties.","Organic & biomolecular chemistry","2006","4","8","1546","1554","10.1039/b600121a","","","0.71073","MoKα","","0.0553","0.0431","","","0.1036","0.1127","","","","","","1.094","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150438","7.6412","0.0004","11.8424","0.0009","15.8245","0.0007","90","","102.434","0.003","90","","1398.37","0.14","173","2","173","2","","","","","","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C28 H39 N O6 Si -","- C28 H39 N O6 Si -","- C56 H78 N2 O12 Si2 -","2","1","","Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.","Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.","Organic & biomolecular chemistry","2006","4","8","1596","1603","10.1039/b600195e","","x-ray","0.71073","MoKα","","0.0509","0.0417","","","0.0889","0.0945","","","","","","1.032","","","","has coordinates,has disorder","180290","2020-10-21","18:00:00",""
"7150439","5.6733","0.0002","11.538","0.0009","21.3149","0.0016","90","","90","","90","","1395.24","0.16","173","2","173","2","","","","","","","synthesis as described","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H19 N3 O4 -","- C12 H19 N3 O4 -","- C48 H76 N12 O16 -","4","1","","Ahmed, Omar; Hitchcock, Peter B.; Young, Douglas W.","Investigation of a route to ibotenic acid analogues via a reduced pyroglutamate template.","Organic & biomolecular chemistry","2006","4","8","1596","1603","10.1039/b600195e","","x-ray","0.71073","MoKα","","0.0584","0.0446","","","0.1003","0.1067","","","","","","1.063","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150440","3.82","0.0006","9.5681","0.0016","14.756","0.002","90","","93.579","0.004","90","","538.28","0.14","120","2","120","2","","","","","","","","4","P 1 21 1","P 2yb","4","9-methoxy-2-methyl-1-azaxanthone","9-methoxy-2-methyl-1-azaxanthone","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C28 H22 N2 O6 -","2","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.0487","0.0276","","0.0411","0.0297","0.0297","","","","","","1.077","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150441","12.191","0.002","3.8876","0.0008","22.922","0.004","90","","90.223","0.006","90","","1086.4","0.3","120","2","120","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","7-methoxy-2-methyl-1-azaxanthone","7-methoxy-2-methyl-1-azaxanthone","","- C14 H11 N O3 -","- C14 H11 N O3 -","- C56 H44 N4 O12 -","4","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.1239","0.062","","","0.1416","0.1608","","","","","","0.85","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150442","4.584","0.0003","11.1889","0.0007","24.2034","0.0015","90","","90.953","0.003","90","","1241.22","0.14","120","2","120","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","6-Ethylamino-2-methyl-1-azaxanthone","6-Ethylamino-2-methyl-1-azaxanthone","","- C15 H14 N2 O2 -","- C15 H14 N2 O2 -","- C60 H56 N8 O8 -","4","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.1531","0.056","","","0.1174","0.1502","","","","","","0.867","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150443","3.8693","0.0005","12.3848","0.0016","10.4698","0.0013","90","","95.015","0.002","90","","499.8","0.11","120","2","120","2","","","","","","","","5","P 1 21 1","P 2yb","4","2-Methyl-1-azathioxanthone","2-Methyl-1-azathioxanthone","","- C13 H9 N O S -","- C13 H9 N O S -","- C26 H18 N2 O2 S2 -","2","1","","Atkinson, Paul; Findlay, Karen S.; Kielar, Filip; Pal, Robert; Parker, David; Poole, Robert A.; Puschmann, Horst; Richardson, Siobhan L.; Stenson, Philip A.; Thompson, Amber L.; Yu, Junhau","Azaxanthones and azathioxanthones are effective sensitisers for europium and terbium luminescence.","Organic & biomolecular chemistry","2006","4","9","1707","1722","10.1039/b601357k","","","0.71073","MoKα","","0.0746","0.0634","","","0.151","0.1587","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150444","11.2537","0.0002","13.9426","0.0002","28.9064","0.0005","83.0511","0.0006","88.3274","0.0005","82.8675","0.0009","4466.96","0.13","172","","","","","","","","","","Diederich Group","6","P 1","P 1","1","","","","- C24 H38 N2 O3 S Si2 -","- C24 H38 N2 O3 S Si2 -","- C144 H228 N12 O18 S6 Si12 -","6","6","","Convertino, Vito; Manini, Peter; Schweizer, W. Bernd; Diederich, François","First asymmetric synthesis of a differentially silyl-protected tris(alkynyl)methyl methyl ether.","Organic & biomolecular chemistry","2006","4","7","1206","1208","10.1039/b601380e","","","0.71073","MoKα","","0.0827","0.0724","","","0.1961","0.2102","","","","","","1.625","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7150445","15.45","0.01","10.49","0.007","10.828","0.007","90","","90","","90","","1755","2","298","2","298","2","","","","","","","","6","P c a 21","P 2c -2ac","29","jrc0831n","","","- C18 H15 Cl F2 O3 S -","- C18 H15 Cl F2 O3 S -","- C72 H60 Cl4 F8 O12 S4 -","4","1","","Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H","The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.","Organic & biomolecular chemistry","2006","4","9","1806","1810","10.1039/b601647b","","","0.71073","MoKα","","0.0622","0.0515","","","0.1173","0.1225","","","","","","0.958","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7150446","6.9274","0.0005","8.4158","0.0006","29.301","0.002","90","","92.743","0.001","90","","1706.3","0.2","223","2","223","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","jrc2573n","","","- C18 H17 Cl F2 O3 S -","- C18 H17 Cl F2 O3 S -","- C72 H68 Cl4 F8 O12 S4 -","4","1","","Scott, Jeremy P.; Mullens, Peter R.; Brewer, Sarah E.; Brands, Karel M. J.; Chilenski, Jennifer R.; Davies, Antony J.; Gibb, Andrew D.; Lieberman, David R.; Oliver, Steven F.; Dolling, Ulf-H","The conformational bias of aryl, arylsulfonyl geminally substituted tertiary carbon centers: applications in substrate-based stereocontrol.","Organic & biomolecular chemistry","2006","4","9","1806","1810","10.1039/b601647b","","","0.71073","MoKα","","0.0472","0.0401","","","0.1009","0.1054","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151200","7.8387","0.0015","11.645","0.002","15.4763","0.0018","90","","90","","90","","1412.7","0.4","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C16 H14 F2 O2 S -","- C16 H14 F2 O2 S -","- C64 H56 F8 O8 S4 -","4","1","","Wyatt, Paul; Hudson, Andrew; Charmant, Jonathan; Orpen, A. Guy; Phetmung, Hirihattaya","Synthesis and chemistry of enantiomerically pure 10,11-dihydrodibenzo[b,f]thiepines.","Organic & biomolecular chemistry","2006","4","11","2218","2232","10.1039/b516606c","","","0.71073","MoKα","","0.0295","0.0264","","","0.0644","0.0667","","","","","","1.092","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151201","7.986","0.003","8.7928","0.0016","11.254","0.003","89.389","0.019","82.07","0.02","67.49","0.02","722.3","0.4","173","2","173","2","","","","","","","","5","P 1","P 1","1","","","","- C16 H14 F2 O3 S -","- C16 H14 F2 O3 S -","- C32 H28 F4 O6 S2 -","2","2","","Wyatt, Paul; Hudson, Andrew; Charmant, Jonathan; Orpen, A. Guy; Phetmung, Hirihattaya","Synthesis and chemistry of enantiomerically pure 10,11-dihydrodibenzo[b,f]thiepines.","Organic & biomolecular chemistry","2006","4","11","2218","2232","10.1039/b516606c","","","0.71073","MoKα","","0.054","0.0432","","","0.0912","0.0999","","","","","","1.114","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151202","14.883","0.004","7.83","0.002","20.587","0.006","90","","90","","90","","2399.1","1.1","294","2","294","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)","6,6f-diphenyl-3,3f,4,4f-tetraethyl-2,2f-bis(azafulvene)","","- C30 H32 N2 -","- C30 H32 N2 -","- C120 H128 N8 -","4","0.5","","Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi","Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.","Organic & biomolecular chemistry","2006","4","11","2247","2252","10.1039/b518340e","","","0.71073","MoKα","","0.0793","0.041","","","0.0978","0.1167","","","","","","1.01","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151203","17.135","0.003","38.228","0.008","6.1877","0.0012","90","","90","","90","","4053.2","1.4","295","2","295","2","","","","","","","","3","F d d 2","F 2 -2d","43","6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane","6,6f-Diphenyl-2,2f-bis(azafulvenyl)-gem-dimethylmethane","","- C25 H22 N2 -","- C25 H22 N2 -","- C200 H176 N16 -","8","0.5","","Setsune, Jun-ichiro; Tanabe, Aya; Watanabe, Junko; Maeda, Satoshi","Synthesis of bis(azafulvene)s by dehydration of hydroxymethylpyrrole derivatives.","Organic & biomolecular chemistry","2006","4","11","2247","2252","10.1039/b518340e","","","0.71073","MoKα","","0.075","0.0393","","","0.0894","0.105","","","","","","1.009","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151204","5.644","0.0001","8.477","0.0002","25.121","0.0005","90","","90","","90","","1201.89","0.04","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O3 -","- C12 H15 N O3 -","- C48 H60 N4 O12 -","4","1","","Mitchell, Claire E. T.; Brenner, Stacey E.; García-Fortanet, Jorge; Ley, Steven V.","An efficient, asymmetric organocatalyst-mediated conjugate addition of nitroalkanes to unsaturated cyclic and acyclic ketones.","Organic & biomolecular chemistry","2006","4","10","2039","2049","10.1039/b601877g","","","0.71073","MoKα","","0.0341","0.0312","","","0.0752","0.077","","","","","","1.074","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151205","13.8204","0.0002","13.9878","0.0003","16.6312","0.0003","90.697","0.001","91.861","0.001","109.789","0.001","3022.72","0.1","113","2","113","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(acetone) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(acetone) clathrate","","- C74 H68 O8 -","- C74 H68 O8 -","- C148 H136 O16 -","2","1","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1056","0.0501","","","0.1003","0.1166","","","","","","1.034","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151206","8.6664","0.0002","12.6143","0.0002","13.1928","0.0003","99.167","0.001","105.288","0.001","99.795","0.001","1338.93","0.05","113","2","113","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.2(1,4-dioxane) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.2(1,4-dioxane) clathrate","","- C70 H60 O8 -","- C70 H60 O8 -","- C70 H60 O8 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.0634","0.0416","","","0.0946","0.1034","","","","","","1.052","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151207","9.2037","0.0003","12.8577","0.0004","14.3892","0.0005","81.503","0.001","82.891","0.001","79.766","0.001","1648.97","0.09","173","2","173","2","","","","","","","","3","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(1,4-dioxane) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(1,4-dioxane) clathrate","","- C78 H76 O12 -","- C78 H68 O12 -","- C78 H68 O12 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1297","0.0576","","","0.1449","0.1704","","","","","","1.05","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151208","9.0698","0.0003","13.7712","0.0004","13.9901","0.0005","71.818","0.001","71.441","0.001","73.849","0.001","1542.47","0.09","113","2","113","2","","","","","","","","4","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(dimethyl sulphoxide) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.4(dimethyl sulphoxide) clathrate","","- C70 H68 O8 S4 -","- C70 H68 O8 S4 -","- C70 H68 O8 S4 -","1","0.5","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1013","0.0514","","","0.1028","0.1187","","","","","","1.019","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151209","14.0976","0.0002","16.7074","0.0002","17.3826","0.0003","63.05","0.001","87.506","0.001","70.95","0.001","3423.12","0.1","113","2","113","2","","","","","","","","4","P -1","-P 1","2","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.5(pyridine) clathrate","tetra(3-hydroxy-3,3-diphenyl-2-propynyl)ethene.5(pyridine) clathrate","","- C87 H69 N5 O4 -","- C87 H64 N5 O4 -","- C174 H128 N10 O8 -","2","1","","Jacobs, Ayesha; le Roex, Tanya; Nassimbeni, Luigi R.; Toda, Fumio","Inclusion of volatile guests by a tetrapedal host: structure and kinetics.","Organic & biomolecular chemistry","2006","4","12","2452","2457","10.1039/b602367n","","","0.71073","MoKα","","0.1343","0.0651","","","0.1549","0.1811","","","","","","1.053","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151210","7.5822","0.0015","10.3689","0.0013","13.0588","0.0009","90.275","0.009","101.461","0.011","100.074","0.013","989.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H20 N2 O5 -","- C23 H20 N2 O5 -","- C46 H40 N4 O10 -","2","1","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71069","MoKα","","0.0512","0.0451","","","0.1147","0.1202","","","","","","1.004","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151211","7.443","0.001","10.892","0.002","19.212","0.003","82.95","0.02","81.14","0.02","88.01","0.02","1527.1","0.4","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H15 N O3 -","- C19 H15 N O3 -","- C76 H60 N4 O12 -","4","2","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71069","MoKα","","0.0947","0.041","","","0.119","0.1417","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151212","7.492","0.0001","9.045","0.0002","13.563","0.0004","73.159","0.001","73.945","0.001","70.568","0.001","812.88","0.03","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H18 N2 O2 -","- C20 H18 N2 O2 -","- C40 H36 N4 O4 -","2","1","","Heaney, Frances; Lawless, Elaine; Mahon, Mary; McArdle, Patrick; Cunningham, Desmond","1,3-Dipolar character of 2-vinyl quinazoline 3-oxides; first and second generation cycloaddition products.","Organic & biomolecular chemistry","2006","4","12","2408","2416","10.1039/b602423h","","","0.71073","MoKα","","0.0488","0.0381","","","0.0922","0.0982","","","","","","1.031","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151213","9.4567","0.0002","10.5163","0.0002","10.6619","0.0002","78.9","0.001","89.899","0.001","66.981","0.001","954.46","0.03","173","2","173","2","","","","","","","","6","P -1","-P 1","2","","","","- C22 H22 Br F N2 O2 -","- C22 H22 Br F N2 O2 -","- C44 H44 Br2 F2 N4 O4 -","2","1","","Schweizer, Eliane; Hoffmann-Röder, Anja; Olsen, Jacob A.; Seiler, Paul; Obst-Sander, Ulrike; Wagner, Björn; Kansy, Manfred; Banner, David W.; Diederich, François","Multipolar interactions in the D pocket of thrombin: large differences between tricyclic imide and lactam inhibitors.","Organic & biomolecular chemistry","2006","4","12","2364","2375","10.1039/b602585d","","","0.7107","MoKα","","0.0342","0.0289","","","0.0637","0.0666","","","","","","1.033","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151214","9.077","0.0008","10.333","0.0009","10.925","0.0009","95.455","0.001","101.496","0.001","106.2","0.001","951.82","0.14","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H15 I2 N O -","- C20 H15 I2 N O -","- C40 H30 I4 N2 O2 -","2","1","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71073","MoKα","","0.0188","0.0173","","","0.043","0.0438","","","","","","1.075","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151215","17.213","0.001","14.912","0.0008","15.658","0.0009","90","","90","","90","","4019.1","0.4","100","2","100","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C20 H14 I3 N O -","- C20 H14 I3 N O -","- C160 H112 I24 N8 O8 -","8","1","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71073","MoKα","","0.0255","0.0237","","","0.0603","0.0612","","","","","","1.138","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151216","7.984","0.005","24.878","0.005","12.52","0.005","90","0.005","98.498","0.005","90","0.005","2459.5","1.9","100","2","100","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C23 H20 Cl2 I2 N2 O2 -","- C23 H20 Cl2 I2 N2 O2 -","- C92 H80 Cl8 I8 N8 O8 -","4","2","","Clayden, Jonathan; Vallverdú, Lluís; Helliwell, Madeleine","Conformational communication between the Ar-CO and Ar-N axes in 2,2'-disubstituted benzanilides and their derivatives.","Organic & biomolecular chemistry","2006","4","11","2106","2118","10.1039/b602912d","","","0.71069","MoKα","","0.0411","0.0397","","","0.0977","0.0987","","","","","","1.055","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151217","8.1371","0.0001","9.7341","0.0001","26.6319","0.0004","90","","90","","90","","2109.44","0.05","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 S2 -","- C21 H30 O4 S2 -","- C84 H120 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0438","0.0338","","","0.0778","0.0821","","","","","","1.045","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151218","8.1836","0.0001","11.8557","0.0002","21.3327","0.0004","90","","90","","90","","2069.75","0.06","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C21 H30 O4 S2 -","- C21 H30 O4 S2 -","- C84 H120 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0372","0.0344","","","0.0893","0.0916","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151219","13.4354","0.0004","16.5257","0.0006","9.9835","0.0003","90","","90","","90","","2216.63","0.12","180","2","180","2","","","","","","","","5","P 21 21 2","P 2 2ab","18","","","","- C21 H29 Br O4 S2 -","- C21 H29 Br O4 S2 -","- C84 H116 Br4 O16 S8 -","4","1","","Zinzalla, Giovanna; Milroy, Lech-Gustav; Ley, Steven V.","Chemical variation of natural product-like scaffolds: design and synthesis of spiroketal derivatives.","Organic & biomolecular chemistry","2006","4","10","1977","2002","10.1039/b603015g","","","0.71073","MoKα","","0.0601","0.0522","","","0.1395","0.1457","","","","","","1.137","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151220","5.5259","0.0004","10.0212","0.0007","34.6","0.002","90","","90","","90","","1916","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Derived Allylic Alcohols","","","- C20 H25 N O6 -","- C20 H25 N O6 -","- C80 H100 N4 O24 -","4","1","","Markad, Shankar D.; Karanjule, Narayan S.; Sharma, Tarun; Sabharwal, Sushma G.; Puranik, Vedavati G.; Dhavale, Dilip D.","Synthesis of tetrahydroxy perhydroaza-azulenes: tandem Johnson-Claisen rearrangement of D-glucose-derived allylic alcohols.","Organic & biomolecular chemistry","2006","4","13","2549","2555","10.1039/b603545k","","","0.71073","MoKα","","0.0694","0.0622","","","0.1473","0.1516","","","","","","1.178","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151221","14.371","0.002","9.5023","0.001","21.501","0.003","90","","103.55","0.05","90","","2854.4","0.9","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C50 H88 N2 O10 Si -","- C50 H88 N2 O10 Si -","- C100 H176 N4 O20 Si2 -","2","1","","Bauder, Claude; Biard, Jean-François; Solladié, Guy","Synthesis of derivatives of potent antitumor bistramides D and A leading to the first crystal structure of natural bistramide D.","Organic & biomolecular chemistry","2006","4","10","1860","1862","10.1039/b603767d","","","0.71073","MoKα","","0.1821","0.0812","","","0.1648","0.2129","","","","","","0.985","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151222","13.5591","0.0016","9.7766","0.0012","27.715","0.003","90","","97.819","0.002","90","","3639.8","0.7","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C47 H42 Cl2 O6 -","- C47 H42 Cl2 O6 -","- C188 H168 Cl8 O24 -","4","0.5","","Adams, Harry; Jones, Simon; Ojea-Jimenez, Isaac","Highly diastereoselective Diels-Alder cycloadditions of 9R-(1-methoxyethyl)anthracene with p-benzoquinone.","Organic & biomolecular chemistry","2006","4","11","2296","2303","10.1039/b603819k","","","0.71073","MoKα","","0.0831","0.048","","","0.1064","0.1205","","","","","","1.042","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151223","16.221","0.008","7.386","0.004","28.003","0.013","90","","104.388","0.008","90","","3250","3","150","2","150","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C23 H20 O3 -","- C23 H20 O3 -","- C184 H160 O24 -","8","1","","Adams, Harry; Jones, Simon; Ojea-Jimenez, Isaac","Highly diastereoselective Diels-Alder cycloadditions of 9R-(1-methoxyethyl)anthracene with p-benzoquinone.","Organic & biomolecular chemistry","2006","4","11","2296","2303","10.1039/b603819k","","","0.71073","MoKα","","0.0958","0.0521","","","0.1266","0.1513","","","","","","1.025","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151224","9.7734","0.0011","13.3223","0.0016","20.38","0.002","90","","90","","90","","2653.6","0.5","150","2","","","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","","","","- C23 H33 Cl2 N O5 S -","- C23 H33 Cl2 N O5 S -","- C92 H132 Cl8 N4 O20 S4 -","4","1","","Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas","Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.","Organic & biomolecular chemistry","2006","4","11","2193","2207","10.1039/b603857c","","","0.71073","MoKα","","0.0744","0.0545","","","0.1448","0.1601","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151225","13.3627","0.0003","15.6068","0.0003","27.3395","0.0007","90","","90","","90","","5701.6","0.2","150","2","150","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H44 B N O8 -","- C25 H44 B N O8 -","- C200 H352 B8 N8 O64 -","8","2","","Besong, Gilbert; Jarowicki, Krzysztof; Kocienski, Philip J.; Sliwinski, Eric; Boyle, F. Thomas","Synthesis of (S)-(-)-N-acetylcolchinol using intramolecular biaryl oxidative coupling.","Organic & biomolecular chemistry","2006","4","11","2193","2207","10.1039/b603857c","","x-ray","0.71073","MoKα","","0.0644","0.0437","","","0.093","0.1028","","","","","","1.053","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151226","8.9131","0.0009","5.0982","0.0005","18.2642","0.0017","90","","102.311","0.002","90","","810.85","0.14","180","2","180","2","","","","","","","","5","P 1 21 1","P 2yb","4","","4-iodophenyl carbamate of 4-phenylbut-3-ene-2-ol","","- C17 H16 I N O2 -","- C17 H16 I N O2 -","- C34 H32 I2 N2 O4 -","2","1","","Clarkson, Guy; Livingston, Andrew G.; Muir, Jennifer C.; Taylor, Paul C.","The absolute configuration of (+)-(E)-4-phenylbut-3-ene-2-ol.","Organic & biomolecular chemistry","2006","4","11","2081","","10.1039/b603934k","","","0.71073","MoKα","","0.0645","0.0524","","","0.1195","0.1258","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151227","27.55","0.02","10.928","0.008","23.154","0.009","90","","90.42","0.05","90","","6971","8","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C42.67 H48.67 Cl2.67 N4 O9.67 S2 -","- C42.6667 H42.6667 Cl2.66667 N4 O9.66667 S2 -","- C256 H256 Cl16 N24 O58 S12 -","6","1.5","","Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu","Synthesis and crystal structure of [2 + 2] calixsalens.","Organic & biomolecular chemistry","2006","4","16","3044","3047","10.1039/b604003a","","","0.71073","MoKα","","0.1477","0.0872","","","0.2237","0.2484","","","","","","0.954","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151228","10.0407","0.0013","15.0369","0.0016","22.816","0.003","90","","90","","90","","3444.8","0.7","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C40 H40 N4 O4 -","- C40 H40 N4 O4 -","- C160 H160 N16 O16 -","4","1","","Srimurugan, Sankareswaran; Viswanathan, Balasubramanian; Varadarajan, Thirukallam Kanthadai; Varghese, Babu","Synthesis and crystal structure of [2 + 2] calixsalens.","Organic & biomolecular chemistry","2006","4","16","3044","3047","10.1039/b604003a","","","1.5418","CuKα","","0.0433","0.0349","","","0.0945","0.1005","","","","","","1.05","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151229","15.484","0.006","12.017","0.005","19.604","0.008","90","","105.509","0.006","90","","3515","2","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C8 H11 I3 N4 Se2 -","- C8 H11 I3 N4 Se2 -","- C64 H88 I24 N32 Se16 -","8","2","","Roy, Gouriprasanna; Nethaji, Munirathinam; Mugesh, G.","Interaction of anti-thyroid drugs with iodine: the isolation of two unusual ionic compounds derived from Se-methimazole.","Organic & biomolecular chemistry","2006","4","15","2883","2887","10.1039/b604060h","","","0.71073","MoKα","","0.049","0.0355","","","0.0851","0.0934","","","","","","1.019","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151230","6.6979","0.0014","10.374","0.002","12.158","0.003","68.916","0.003","82.135","0.003","78.816","0.003","771.2","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C8 H12 I2 N4 Se2 -","- C8 H12 I2 N4 Se2 -","- C16 H24 I4 N8 Se4 -","2","1","","Roy, Gouriprasanna; Nethaji, Munirathinam; Mugesh, G.","Interaction of anti-thyroid drugs with iodine: the isolation of two unusual ionic compounds derived from Se-methimazole.","Organic & biomolecular chemistry","2006","4","15","2883","2887","10.1039/b604060h","","","0.71073","MoKα","","0.0261","0.0229","","","0.0564","0.0576","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151231","5.9454","0.0002","8.1078","0.0003","18.0676","0.0006","90","","90","","90","","870.93","0.05","190","","190","","","","","","","","?","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H11 N O2 -","- C10 H11 N O2 -","- C40 H44 N4 O8 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0317","0.028","","0.0361","0.0326","0.0326","","","","","","1.0885","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151232","9.2401","0.0001","10.581","0.0001","46.9695","0.0005","90","","90","","90","","4592.18","0.08","100","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C12 H15 N O2 -","- C12 H15 N O2 -","- C192 H240 N16 O32 -","16","4","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0896","0.0667","","0.0607","0.0478","0.0478","","","","","","1.0322","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151233","17.9151","0.0005","9.5994","0.0003","12.1722","0.0004","90","","119.664","0.0013","90","","1818.96","0.1","190","","190","","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C19 H27 N O4 -","- C19 H27 N O4 -","- C76 H108 N4 O16 -","4","1","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0424","0.0324","","0.0465","0.0365","0.0365","","","","","","1.1371","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151234","8.8735","0.0002","9.7635","0.0003","11.248","0.0003","89.749","0.002","79.982","0.002","64.9723","0.0011","866.9","0.04","190","","190","","","","","","","","","4","P 1","P 1","1","","","","- C16 H29 N O4 -","- C16 H29 N O4 -","- C32 H58 N2 O8 -","2","2","","Davies, Stephen G.; Garner, A. Christopher; Roberts, Paul M.; Smith, Andrew D.; Sweet, Miles J.; Thomson, James E.","Oxazinanones as chiral auxiliaries: synthesis and evaluation in enolate alkylations and aldol reactions.","Organic & biomolecular chemistry","2006","4","14","2753","2768","10.1039/b604073j","","","0.71073","MoKα","","0.0497","0.0369","","0.0482","0.038","0.038","","","","","","1.1334","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151235","8.3002","0.0002","33.6715","0.0004","10.531","0.0002","90","","90.6345","0.0005","90","","2943.03","0.1","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C33 H37 N O6 -","- C33 H37 N O6 -","- C132 H148 N4 O24 -","4","2","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations.","Organic & biomolecular chemistry","2006","4","13","2600","2615","10.1039/b604183c","","","0.71073","MoKα","","0.0753","0.0521","","0.0561","0.0531","0.0531","","","","","","1.0425","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151236","8.8317","0.0005","10.1281","0.0005","12.024","0.0007","90","","103.017","0.002","90","","1047.89","0.1","150","","150","","","","","","","","synthesis as described","4","P 1 21 1","P 2yb","4","","","","- C21 H25 N O7 -","- C21 H25 N O7 -","- C42 H50 N2 O14 -","2","1","","Hussaini, Syed Raziullah; Moloney, Mark G.","2,5-Disubstituted pyrrolidines: synthesis by enamine reduction and subsequent regioselective and diastereoselective alkylations.","Organic & biomolecular chemistry","2006","4","13","2600","2615","10.1039/b604183c","","","0.71073","MoKα","","","0.0331","","","","0.0365","","","","","","1.0672","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151237","13.8821","0.0003","4.5502","0.0002","14.6589","0.0004","90","","109.809","0.0017","90","","871.16","0.05","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C16 H18 N2 O7 S -","- C16 H18 N2 O7 S -","- C32 H36 N4 O14 S2 -","2","1","","Pedras, M Soledade C; Hossain, Mohammad","Metabolism of crucifer phytoalexins in Sclerotinia sclerotiorum: detoxification of strongly antifungal compounds involves glucosylation.","Organic & biomolecular chemistry","2006","4","13","2581","2590","10.1039/b604400j","","","0.71073","MoKα","","0.0559","0.0471","","","0.1037","0.109","","","","","","1.058","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151238","26.338","0.013","9.477","0.005","32.834","0.015","90","","97.759","0.006","90","","8121","7","293","2","293","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C20 H30 I2 N2 O2 -","- C20 H30 I2 N2 O2 -","- C280 H420 I28 N28 O28 -","14","3.5","","Song, Yang; Tian, Tian; Wang, Ping; He, Hanping; Liu, Wulue; Zhou, Xiang; Cao, Xiaoping; Zhang, Xiao-Lian; Zhou, Xin","Phenol quaternary ammonium derivatives: charge and linker effect on their DNA photo-inducible cross-linking abilities.","Organic & biomolecular chemistry","2006","4","17","3358","3366","10.1039/b604552a","","","0.71073","MoKα","","0.093","0.0568","","","0.1393","0.1598","","","","","","1.044","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151239","9.7318","0.0013","18.078","0.002","20.751","0.003","90","","90","","90","","3650.8","0.8","396","2","396","2","","","","","","","","6","P 21 21 21","P 2ac 2ab","19","6-Bn","","","- C36 H40 Br Cl4 N3 O2 -","- C36 H40 Br Cl4 N3 O2 -","- C144 H160 Br4 Cl16 N12 O8 -","4","1","","Dálaigh, Ciarán O; Hynes, Stephen J.; O'Brien, John E; McCabe, Thomas; Maher, Declan J.; Watson, Graeme W.; Connon, Stephen J.","Asymmetric acyl-transfer promoted by readily assembled chiral 4-N,N-dialkylaminopyridine derivatives.","Organic & biomolecular chemistry","2006","4","14","2785","2793","10.1039/b604632k","","","0.71073","MoKα","","0.0885","0.0777","","","0.1786","0.184","","","","","","1.119","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151240","10.7431","0.0008","13.5397","0.001","19.375","0.0015","101.138","0.002","97.455","0.002","96.572","0.002","2713.5","0.4","130","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 Cl N O4 -","- C20 H18 Cl N O4 -","- C120 H108 Cl6 N6 O24 -","6","3","","Smith, Jason A.; Ng, Sarah; White, Jonathon","The regioselective synthesis of aryl pyrroles.","Organic & biomolecular chemistry","2006","4","12","2477","2482","10.1039/b604692d","","","0.71073","MoKα","","0.1483","0.051","","","0.0613","0.0793","","","","","","0.591","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151241","8.6","0.0006","10.087","0.0012","10.843","0.0009","67.342","0.008","89.563","0.006","89.466","0.008","867.97","0.15","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H19 N3 O7 -","- C14 H19 N3 O7 -","- C28 H38 N6 O14 -","2","1","","Dadwal, Mamta; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Highly efficient hydrazination of conjugated nitroalkenes via imidazole or DMAP mediated Morita-Baylis-Hillman reaction.","Organic & biomolecular chemistry","2006","4","13","2525","2528","10.1039/b604899d","","","0.71073","MoKα","","0.1194","0.0495","","","0.1233","0.1468","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151242","8.1928","0.001","7.4438","0.0009","26.234","0.003","90","","96.98","0.01","90","","1588","0.3","120","2","120","2","","","","","","","","3","P 1 21/n 1","-P 2yn","14","2-endo,6-endo-bis(3',4'-methylenedioxyphenyl) -3,7-dioxa- bicyclo(3.3.0)octane","2-endo,6-endo-bis(3',4'-methylenedioxyphenyl) -3,7-dioxa-bicyclo[3.3.0]octane","","- C20 H18 O6 -","- C20 H18 O6 -","- C80 H72 O24 -","4","1","","Aldous, David J.; Batsanov, Andrei S.; Yufit, Dmitrii S.; Dalençon, Anne J; Dutton, William M.; Steel, Patrick G.","The dihydrofuran template approach to furofuran synthesis.","Organic & biomolecular chemistry","2006","4","15","2912","2927","10.1039/b604952d","","","0.71073","MoKα","","0.054","0.0449","","","0.1117","0.1181","","","","","","1.088","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151243","5.8932","0.0004","9.2189","0.0007","16.1992","0.0013","87.502","0.003","89.201","0.003","77.553","0.003","858.57","0.11","110","2","110","0.2","","","","","","","","5","P -1","-P 1","2","N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline","N-toluenesulfonyl-3-methoxycarbonyl-2-phenyl-3-pyrroline","","- C19 H19 N O4 S -","- C19 H19 N O4 S -","- C38 H38 N2 O8 S2 -","2","1","","Aldous, David J.; Batsanov, Andrei S.; Yufit, Dmitrii S.; Dalençon, Anne J; Dutton, William M.; Steel, Patrick G.","The dihydrofuran template approach to furofuran synthesis.","Organic & biomolecular chemistry","2006","4","15","2912","2927","10.1039/b604952d","","","0.71073","MoKα","","0.1066","0.0573","","","0.1204","0.1355","","","","","","1.017","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151244","7.69","0.05","9.26","0.05","17.15","0.05","90","","90","","90","","1221","11","298","","","","","","","","","","K. Okuma","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H18 O2 S -","- C13 H18 O2 S -","- C52 H72 O8 S4 -","4","1","","Okuma, Kentaro; Koda, Masahiro; Maekawa, Shinobu; Shioji, Kosei; Inoue, Tohru; Kurisaki, Tsutomu; Wakita, Hisanobu; Yokomori, Yoshinobu","Reaction of thioketones with propiolic acids.","Organic & biomolecular chemistry","2006","4","14","2745","2752","10.1039/b605068a","","","0.71069","MoKα","","0.0781","0.0485","","","0.1291","0.1502","","","","","","0.991","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151245","6.9391","0.0002","8.0963","0.0003","15.5077","0.0005","90","","101.182","0.003","90","","854.7","0.05","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N O3 -","- C17 H27 N O3 -","- C34 H54 N2 O6 -","2","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0612","0.0511","","0.0674","0.0612","0.0612","","","","","","0.9657","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151246","7.2402","0.0001","11.8197","0.0002","18.467","0.0005","90","","90","","90","","1580.35","0.05","190","","190","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H25 N O3 -","- C17 H25 N O3 -","- C68 H100 N4 O12 -","4","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0387","0.0318","","0.0446","0.0396","0.0396","","","","","","1.0818","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151247","6.5167","0.0001","7.9303","0.0002","15.8324","0.0004","90","","92.8893","0.0009","90","","817.17","0.03","190","","190","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H23 N O3 -","- C17 H23 N O3 -","- C34 H46 N2 O6 -","2","1","","Bull, Steven D.; Davies, Stephen G.; Garner, A. Christopher; Kruchinin, Dennis; Key, Min-Suk; Roberts, Paul M.; Savory, Edward D.; Smith, Andrew D.; Thomson, James E.","SuperQuat 5,5-dimethyl-4-iso-propyloxazolidin-2-one as a mimic of Evans 4-tert-butyloxazolidin-2-one.","Organic & biomolecular chemistry","2006","4","15","2945","2964","10.1039/b605244d","","","0.71073","MoKα","","0.0348","0.0308","","0.0384","0.0328","0.0328","","","","","","1.1366","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151248","10.559","0.002","9.6567","0.0019","11.052","0.002","90","","112.47","0.03","90","","1041.4","0.4","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C50 H52 N4 O4 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.0507","0.0373","","","0.0836","0.0897","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151249","5.8566","0.0004","22.8548","0.0018","9.1424","0.0007","90","","92.913","0.006","90","","1222.14","0.16","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C28 H34 N2 O3 -","- C28 H34 N2 O3 -","- C56 H68 N4 O6 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.0842","0.05","","","0.0957","0.1075","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151250","5.3447","0.0011","10.854","0.002","14.722","0.003","81.91","0.03","87.82","0.03","88.8","0.03","844.8","0.3","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C20 H24 N2 O2 -","- C20 H24 N2 O2 -","- C40 H48 N4 O4 -","2","1","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.1507","0.0566","","","0.1034","0.1318","","","","","","0.944","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151251","11.448","0.002","11.905","0.002","15.067","0.003","86.5","0.03","87.96","0.03","77.45","0.03","2000.1","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H26 N2 O2 -","- C25 H26 N2 O2 -","- C100 H104 N8 O8 -","4","2","","Lory, Pedro M. J.; Jones, Raymond C. F.; Iley, James N.; Coles, Simon J.; Hursthouse, Michael B.","Intramolecular 1,3-dipolar cycloadditions of dihydroimidazolium ylides: synthesis of pyrrolo[1,2,3-de]quinoxalines and imidazo[1,2-a]indoles.","Organic & biomolecular chemistry","2006","4","16","3155","3165","10.1039/b605458g","","","0.71073","MoKα","","0.2781","0.0682","","","0.1036","0.1613","","","","","","0.867","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151252","13.111","0.003","10.123","0.002","14.928","0.003","90","","90","","90","","1981.3","0.7","100","2","100","2","","","","","","","","4","P b c n","-P 2n 2ab","60","furan recepter","","","- C24 H18 N6 O -","- C24 H18 N6 O -","- C96 H72 N24 O4 -","4","0.5","","Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie","Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.","Organic & biomolecular chemistry","2006","4","19","3652","3663","10.1039/b605658j","","","0.71073","MoKα","","0.0844","0.0682","","","0.1854","0.1946","","","","","","1.128","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151253","15.28","0.003","22.54","0.005","10.51","0.002","90","","90","0.03","90","","3619.8","1.3","193","","193","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C36 H41 Cl3 N6 O -","- C36 H41 Cl3 N6 O -","- C144 H164 Cl12 N24 O4 -","4","1","","Skene, W. G.; Berl, Volker; Risler, Hélène; Khoury, Richard; Lehn, Jean-Marie","Selective product amplification of thymine photodimer by recognition-directed supramolecular assistance.","Organic & biomolecular chemistry","2006","4","19","3652","3663","10.1039/b605658j","","","0.71073","MoKα","","0.1183","0.0688","","0.1935","0.1652","","","","1.04","1.11","1.11","","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151254","10.289","0.0001","20.1092","0.0002","7.4282","0.0004","90","","90","","90","","1536.92","0.09","120","2","120","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","","","","- C13 H26 N2 O6 -","- C13 H26 N2 O6 -","- C52 H104 N8 O24 -","4","1","","Maxwell, Vanessa L.; Evinson, Emma L.; Emmerson, Daniel P. G.; Jenkins, Paul R.","Synthesis, glycosidase activity and X-ray crystallography of 3-amino-sugars.","Organic & biomolecular chemistry","2006","4","14","2724","2732","10.1039/b605916c","","","0.71073","MoKα","","0.0346","0.0324","","","0.0775","0.0792","","","","","","1.041","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151255","9.8736","0.0013","6.0745","0.0008","11.7121","0.0016","90","","111.941","0.002","90","","651.58","0.15","290","2","290","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C12 H19 N O6 -","- C12 H19 N O6 -","- C24 H38 N2 O12 -","2","1","","Maxwell, Vanessa L.; Evinson, Emma L.; Emmerson, Daniel P. G.; Jenkins, Paul R.","Synthesis, glycosidase activity and X-ray crystallography of 3-amino-sugars.","Organic & biomolecular chemistry","2006","4","14","2724","2732","10.1039/b605916c","","","0.71073","MoKα","","0.0365","0.035","","","0.0783","0.0792","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151256","7.3722","0.0006","25.899","0.002","26.76","0.002","90","","90","","90","","5109.4","0.7","173","2","173","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","3,4-Dicarbomethoxy-2,5-di-(4Â-acetoxy-3Â'-methoxy phenyl)-2,3,4,5- tetrahydrofuran","","- C26 H28 O11 -","- C26 H28 O11 -","- C208 H224 O88 -","8","1","","Schatz, Paul F.; Ralph, John; Lu, Fachuang; Guzei, Ilia A.; Bunzel, Mirko","Synthesis and identification of 2,5-bis-(4-hydroxy-3-methoxyphenyl)-tetrahydrofuran-3,4-dicarboxylic acid, an unanticipated ferulate 8-8-coupling product acylating cereal plant cell walls.","Organic & biomolecular chemistry","2006","4","14","2801","2806","10.1039/b605918j","","","0.71073","Mo-Kα","","0.0514","0.0453","","","0.122","0.128","","","","","","1.046","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151257","9.499","0.002","10.601","0.003","11.958","0.003","113.345","0.003","98.08","0.003","103.188","0.003","1039.9","0.5","153","2","153","2","","","","","","","","5","P 1","P 1","1","","N-(6-ethoxy-3-hydroxy-2-(trifluoromethyl)-tetrahydro-2H-pyran-4-yl)- 2,2,2-trifluoro-N-(1-phenylethyl)acetamide","","- C18 H21 F6 N O4 -","- C18 H21 F6 N O4 -","- C36 H42 F12 N2 O8 -","2","2","","Hayman, Colin M.; Larsen, David S.; Simpson, Jim; Bailey, Karl B.; Gill, Gurmit Singh","A stereoselective synthesis of 6,6,6-trifluoro-L-daunosamine and 6,6,6-trifluoro-L-acosamine.","Organic & biomolecular chemistry","2006","4","14","2794","2800","10.1039/b606055b","","","0.71073","MoKα","","0.0361","0.0312","","","0.0779","0.08","","","","","","1.001","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151258","6.953","0.0001","7.9824","0.0002","26.3031","0.0006","90","","92.122","0.001","90","","1458.86","0.05","123","2","123","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","1-(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-4-morpholin-4- yl-pyridinium chloride","1-(2,6-Dioxo-1,2,3,6-tetrahydro-pyrimidin-4-yl)-4-morpholin-4-yl- pyridinium chloride","","- C13 H17 Cl N4 O4 -","- C13 H17 Cl N4 O4 -","- C52 H68 Cl4 N16 O16 -","4","1","","Schmidt, Andreas; Lindner, Anika; Nieger, Martin; Ruiz-Delgado, Maria del Carmen; Ramirez, Francisco Javier","Syntheses, pi-stacking interactions and base-pairings of uracil pyridinium salts and uracilyl betaines with nucleobases.","Organic & biomolecular chemistry","2006","4","16","3056","3066","10.1039/b606249k","","","0.71073","MoKα","","0.0355","0.0296","","","0.0793","0.082","","","","","","1.052","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151259","13.4485","0.0012","6.4673","0.0006","9.3711","0.0006","90","","90","","90","","815.06","0.12","123","2","123","2","","","","","","","","4","P n m a","-P 2ac 2n","62","adeninediium dichloride","adeninediium dichloride","","- C5 H7 Cl2 N5 -","- C5 H7 Cl2 N5 -","- C20 H28 Cl8 N20 -","4","0.5","","Schmidt, Andreas; Lindner, Anika; Nieger, Martin; Ruiz-Delgado, Maria del Carmen; Ramirez, Francisco Javier","Syntheses, pi-stacking interactions and base-pairings of uracil pyridinium salts and uracilyl betaines with nucleobases.","Organic & biomolecular chemistry","2006","4","16","3056","3066","10.1039/b606249k","","","0.71073","MoKα","","0.0318","0.0265","","","0.0702","0.0717","","","","","","1.029","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151260","11.2621","0.0011","5.2062","0.0005","14.3092","0.0014","90","","109.094","0.005","90","","792.83","0.14","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H25 N O -","- C17 H25 N O -","- C34 H50 N2 O2 -","2","1","","Cooksey, John P.; Kocienski, Philip J.; Li, Ying-fa; Schunk, Stefan; Snaddon, Thomas N.","Synthesis of the C1-C16 fragment of ionomycin using a neutral (eta3-allyl)iron complex.","Organic & biomolecular chemistry","2006","4","17","3325","3336","10.1039/b606262h","","","0.71073","MoKα","","0.0338","0.0319","","","0.0797","0.0818","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151261","8.7353","0.0007","9.81","0.0008","18.0556","0.0014","90","","90","","90","","1547.2","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","05315","","","- C18 H16 N4 O2 -","- C18 H16 N4 O2 -","- C72 H64 N16 O8 -","4","1","","Zhang, Xuejun; Hsung, Richard P.; You, Lingfeng","Tandem azidination- and hydroazidination-Huisgen [3 + 2] cycloadditions of ynamides. Synthesis of chiral amide-substituted triazoles.","Organic & biomolecular chemistry","2006","4","14","2679","2682","10.1039/b606680a","","","0.71073","MoKα","","0.0423","0.0332","","","0.0768","0.0837","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151262","10.634","0.0003","12.144","0.0004","15.956","0.0008","90","","108.102","0.0014","90","","1958.56","0.13","293","2","293","2","","","","","","","synthesised by authors","5","P 1 21 1","P 2yb","4","((1S)-1-(N'-(4-Bromo-benzyl)-N'-((2S)-2-((1S)-2,2-dimethyl-1- methylcarbamoyl-propylcarbamoyl)-2-hydroxy-3-phenyl-propyl) - hydrazinocarbonyl)-2,2-dimethyl-propyl)-carbamic acid methyl ester ethanol solvate","","","- C34 H52 Br N5 O7 -","- C34 H52 Br N5 O7 -","- C68 H104 Br2 N10 O14 -","2","1","","Ekegren, Jenny K.; Gising, Johan; Wallberg, Hans; Larhed, Mats; Samuelsson, Bertil; Hallberg, Anders","Variations of the P2 group in HIV-1 protease inhibitors containing a tertiary alcohol in the transition-state mimicking scaffold.","Organic & biomolecular chemistry","2006","4","16","3040","3043","10.1039/b606859f","","","0.71073","MoKα","","0.1755","0.083","","","0.1804","0.2307","","","","","","1.015","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151263","11.1634","0.0001","11.1634","0.0001","33.8352","0.0005","90","","90","","120","","3651.68","0.07","200","2","200","2","","","","","","","","4","P 61","P 61","169","","","","- C29 H25 O3 P -","- C29 H25 O3 P -","- C174 H150 O18 P6 -","6","1","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0696","0.0582","","","0.1422","0.1514","","","","","","1.03","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151264","5.9419","0.0001","14.361","0.0003","26.6529","0.0007","90","","90","","90","","2274.34","0.09","180","2","180","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C29 H27 O3 P -","- C29 H27 O3 P -","- C116 H108 O12 P4 -","4","1","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0565","0.0458","","","0.102","0.1075","","","","","","1.104","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151265","8.4713","0.0003","8.5479","0.0003","17.4621","0.0006","83.267","0.002","83.693","0.002","74.518","0.002","1206.09","0.07","180","2","180","2","","","","","","","","5","P 1","P 1","1","","","","- C29 H24 N3 O2 P -","- C29 H24 N3 O2 P -","- C58 H48 N6 O4 P2 -","2","2","","Fox, David J.; Parris, Sean; Pedersen, Daniel Sejer; Tyzack, Charles R.; Warren, Stuart","Asymmetric synthesis of cyclopropanes and dihydrofurans based on phosphine oxide chemistry.","Organic & biomolecular chemistry","2006","4","16","3108","3112","10.1039/b606874j","","","0.71073","MoKα","","0.0967","0.0696","","","0.1647","0.186","","","","","","1.106","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151266","5.8939","0.0002","8.5144","0.0003","11.3355","0.0004","82.108","0.002","87.448","0.002","82.337","0.002","558.23","0.03","180","2","180","2","","","","","","","","4","P 1","P 1","1","","","","- C23 H29 O4 P -","- C23 H29 O4 P -","- C23 H29 O4 P -","1","1","","Fox, David J.; Pedersen, Daniel Sejer; Warren, Stuart","Asymmetric synthesis of orthogonally protected trans-cyclopropane gamma-amino acids via intramolecular ring closure.","Organic & biomolecular chemistry","2006","4","16","3113","3116","10.1039/b606879k","","","0.71073","MoKα","","0.0368","0.0351","","","0.0962","0.0978","","","","","","1.14","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151267","5.8203","0.001","11.4038","0.0002","37.8022","0.0009","90","","90","","90","","2509.1","0.4","180","2","180","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H30 Cl O4 P -","- C27 H30 Cl O4 P -","- C108 H120 Cl4 O16 P4 -","4","1","","Fox, David J.; Pedersen, Daniel Sejer; Petersen, Asger B.; Warren, Stuart","Diphenylphosphinoyl chloride as a chlorinating agent‒the selective double activation of 1,2-diols.","Organic & biomolecular chemistry","2006","4","16","3117","3119","10.1039/b606881b","","","0.71073","MoKα","","0.0602","0.0527","","","0.1271","0.1315","","","","","","1.162","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151268","12.2457","0.0002","13.6867","0.0003","22.7701","0.0005","83.977","0.001","80.763","0.001","75.344","0.001","3636.02","0.13","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","","","- C36 H46 N3 O3.5 S3 -","- C36 H46 N3 O3.5 S3 -","- C144 H184 N12 O14 S12 -","4","2","","Fox, David J.; Morley, Thomas J.; Warren, Stuart","Episulfonium ion-mediated cyclic peptide and triazine synthesis","Organic & Biomolecular Chemistry","2006","4","16","3120","","10.1039/b606882k","","","0.71073","MoKα","","0.1531","0.0705","","","0.167","0.2067","","","","","","1.017","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151269","14.292","0.006","11.057","0.004","11.287","0.005","90","","92.09","0.007","90","","1782.5","1.3","150","2","150","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H23 N O7 -","- C18 H23 N O7 -","- C72 H92 N4 O28 -","4","1","","Mulholland, Nicholas P.; Pattenden, Gerald; Walters, Iain A. S.","A concise total synthesis of salinosporamide A.","Organic & biomolecular chemistry","2006","4","15","2845","2846","10.1039/b607109k","","","0.71073","MoKα","","0.0536","0.0421","","","0.111","0.123","","","","","","1.04","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151270","11.223","0.002","13.252","0.003","16.734","0.003","75.48","0.03","73.58","0.03","70.65","0.03","2218.3","0.9","120","2","120","2","","","","","","","","5","P -1","-P 1","2","","tris{2-(N-n-butyl-benzimidazole)phenyl}-boroxin","","- C51 H51 B3 N6 O3 -","- C51 H51 B3 N6 O3 -","- C102 H102 B6 N12 O6 -","2","1","","Blatch, Alexandrea J.; Chetina, Olga V.; Howard, Judith A. K.; Patrick, Leonard G. F.; Smethurst, Christian A.; Whiting, Andrew","Synthesis and structure of bifunctional N-alkylbenzimidazole phenylboronate derivatives.","Organic & biomolecular chemistry","2006","4","17","3297","3302","10.1039/b607127a","","","0.71073","MoKα","","0.1419","0.058","","","0.107","0.1304","","","","","","0.885","","","","has coordinates,has disorder","180298","2020-10-21","18:00:00",""
"7151271","8.8738","0.0008","12.5069","0.0013","17.5191","0.0011","96.519","0.006","92.166","0.006","96.945","0.008","1915","0.3","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C20 H18 N2 O5 S -","- C20 H18 N2 O5 S -","- C80 H72 N8 O20 S4 -","4","2","","Rastogi, Namrata; Mohan, Renu; Panda, Dulal; Mobin, Shaikh M.; Namboothiri, Irishi N. N.","Synthesis and anticancer activity studies of alpha-aminoalkylated conjugated nitroalkenes.","Organic & biomolecular chemistry","2006","4","17","3211","3214","10.1039/b607537a","","","0.71073","MoKα","","0.1953","0.0601","","","0.1154","0.1476","","","","","","0.997","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151272","14.2234","0.0007","8.9069","0.0005","21.5226","0.0013","90","","90.89","0.002","90","","2726.3","0.3","100","2","100","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C26 H33 F6 N3 O2 -","- C26 H33 F6 N3 O2 -","- C104 H132 F24 N12 O8 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.212","0.0753","","","0.1107","0.1431","","","","","","1.009","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151273","9.384","0.001","9.969","0.001","12.623","0.001","81.56","0.01","89.69","0.01","71.13","0.01","1104.2","0.2","293","2","293","2","","","","","","","","5","P 1","P 1","1","","","","- C21 H25 F6 N3 O -","- C21 H25 F6 N3 O -","- C42 H50 F12 N6 O2 -","2","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1332","0.0672","","","0.1491","0.176","","","","","","1.003","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151274","10.0545","0.0008","15.0943","0.0013","21.3967","0.0015","90","","90","","90","","3247.3","0.4","100","2","100","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C29 H32 F12 N4 O3 -","- C29 H32 F12 N4 O3 -","- C116 H128 F48 N16 O12 -","4","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1547","0.048","","","0.0907","0.1156","","","","","","0.879","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151275","10.5778","0.0009","18.5187","0.0016","11.1532","0.0013","90","","100.724","0.003","90","","2146.6","0.4","293","2","293","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H21 F6 N3 O -","- C20 H21 F6 N3 O -","- C80 H84 F24 N12 O4 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.153","0.0629","","","0.1156","0.1434","","","","","","1.01","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151276","8.1767","0.0006","22.874","0.002","10.1933","0.0006","90","","108.158","0.003","90","","1811.6","0.2","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C31 H48 N10 O12 -","- C31 H46 N10 O12 -","- C62 H92 N20 O24 -","2","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0883","0.059","","","0.1565","0.1739","","","","","","0.977","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151277","11.8168","0.0003","16.6626","0.0006","18.2008","0.0005","90","","90","","90","","3583.71","0.19","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C18 H29 N3 O -","- C18 H29 N3 O -","- C144 H232 N24 O8 -","8","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.1234","0.0515","","","0.0843","0.1019","","","","","","0.988","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151278","11.5762","0.0004","12.734","0.0004","16.3923","0.0006","90","","90","","90","","2416.41","0.14","100","2","100","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C10 H21 N3 S -","- C10 H21 N3 S -","- C80 H168 N24 S8 -","8","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0535","0.035","","","0.0655","0.0696","","","","","","0.963","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151279","8.7335","0.0002","22.165","0.0006","9.9252","0.0003","90","","101.774","0.001","90","","1880.88","0.09","446","2","446","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O -","- C17 H27 N3 O -","- C68 H108 N12 O4 -","4","2","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0626","0.0391","","","0.0821","0.0908","","","","","","0.956","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151280","9.1661","0.0004","11.3191","0.0006","15.5757","0.0008","90","","90","","90","","1616.01","0.14","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H27 N3 O -","- C17 H27 N3 O -","- C68 H108 N12 O4 -","4","1","","Berkessel, Albrecht; Mukherjee, Santanu; Müller, Thomas N; Cleemann, Felix; Roland, Katrin; Brandenburg, Marc; Neudörfl, Jörg-M; Lex, Johann","Structural optimization of thiourea-based bifunctional organocatalysts for the highly enantioselective dynamic kinetic resolution of azlactones.","Organic & biomolecular chemistry","2006","4","23","4319","4330","10.1039/b607574f","","","0.71073","MoKα","","0.0475","0.0339","","","0.0683","0.0724","","","","","","0.995","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151281","25.094","0.006","12.755","0.003","19.891","0.005","90","","103.926","0.004","90","","6179","3","298","2","298","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","7,8-dihydro-10-(3,4,5-trimethoxyphenyl)-7,7-dimethyl-5-p-tolyl- 5H-indeno[1,2-b]quinoline-9,11(6H,10H)-dione","","- C34 H34 N O5.5 -","- C34 H34 N O5.5 -","- C272 H272 N8 O44 -","8","1","","Tu, Shu-Jiang; Jiang, Bo; Jia, Run-Hong; Zhang, Jun-Yong; Zhang, Yan; Yao, Chang-Sheng; Shi, Feng","An efficient one-pot, three-component synthesis of indeno[1,2-b]quinoline-9,11(6H,10H)-dione, acridine-1,8(2H,5H)-dione and quinoline-3-carbonitrile derivatives from enaminones.","Organic & biomolecular chemistry","2006","4","19","3664","3668","10.1039/b607575d","","","0.71073","MoKα","","0.1921","0.0731","","","0.1771","0.2391","","","","","","0.998","","","","has coordinates,has disorder","176453","2020-10-21","18:00:00",""
"7151282","8.121","","9.299","","12.532","","90","","91.21","","90","","946.17","","9","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C15 H26.26 N3 O7.63 -","- C15 H26.2688 N3 O7.6344 -","- C30 H52.5376 N6 O15.2688 -","2","1","","Checińska, Lilianna; Mebs, Stefan; Hübschle, Christian B; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine.","Organic & biomolecular chemistry","2006","4","17","3242","3251","10.1039/b607744g","","","0.5","synchrotron","","0.0351","0.0293","","","","0.0208","","","","","","2.0596","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151283","8.845","","9.0567","","12.3638","","90","","94.563","","90","","987.282","","20","2","","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C17 H27 N3 O6 -","- C17 H27 N3 O6 -","- C34 H54 N6 O12 -","2","1","","Checińska, Lilianna; Mebs, Stefan; Hübschle, Christian B; Förster, Diana; Morgenroth, Wolfgang; Luger, Peter","Reproducibility and transferability of topological data: experimental charge density study of two modifications of L-alanyl-L-tyrosyl-L-alanine.","Organic & biomolecular chemistry","2006","4","17","3242","3251","10.1039/b607744g","","","0.71073","MoKα","","0.0264","0.0223","","","","0.0177","","","","","","1.6277","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151284","7.381","0.001","11.493","0.001","11.058","0.001","90","","95.02","0.01","90","","934.45","0.17","198","2","198","2","","","","","","","synthesis","4","P 1 21/n 1","-P 2yn","14","","7-hydroxy-9H-carbazole-3-carbaldehyde","","- C13 H9 N O2 -","- C13 H9 N O2 -","- C52 H36 N4 O8 -","4","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0608","0.0414","","","0.1062","0.1192","","","","","","1.054","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151285","8.118","0.003","9.02","0.002","9.143","0.003","101.1","0.02","102.27","0.03","104.33","0.03","612.2","0.4","198","2","198","2","","","","","","","synthesis","4","P -1","-P 1","2","Clausine C (Clauszoline L)","methyl 7-methoxy-9H-carbazole-3-carboxylate","","- C15 H13 N O3 -","- C15 H13 N O3 -","- C30 H26 N2 O6 -","2","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0612","0.045","","","0.1141","0.1255","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151286","22.924","0.003","5.787","0.0001","8.02","0.0001","90","","96.98","0.03","90","","1056.06","0.16","198","2","198","2","","","","","","","synthesis","4","P 1 21/c 1","-P 2ybc","14","","2-methoxy-6-methyl-9H-carbazole","","- C14 H13 N O -","- C14 H13 N O -","- C56 H52 N4 O4 -","4","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0566","0.0457","","","0.1179","0.1277","","","","","","1.103","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151287","6.642","0.001","7.761","0.001","11.984","0.005","90","","105.13","0.03","90","","596.3","0.3","198","2","198","2","","","","","","","synthesis","5","P 1 21 1","P 2yb","4","","3-bromo-2-methoxy-6-methyl-9H-carbazole","","- C14 H12 Br N O -","- C14 H12 Br N O -","- C28 H24 Br2 N2 O2 -","2","1","","Krahl, Micha P.; Jäger, Anne; Krause, Tilo; Knölker, Hans-Joachim","First total synthesis of the 7-oxygenated carbazole alkaloids clauszoline-K, 3-formyl-7-hydroxycarbazole, clausine M, clausine N and the anti-HIV active siamenol using a highly efficient palladium-catalyzed approach.","Organic & biomolecular chemistry","2006","4","17","3215","3219","10.1039/b607792g","","x-ray","0.71073","MoKα","","0.0269","0.022","","","0.044","0.0453","","","","","","1.084","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151288","14.321","0.002","11.583","0.003","17.877","0.002","90","","104.49","0.008","90","","2871.1","0.9","296.2","","","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C34 H39 N O2 -","- C34 H39 N O2 -","- C136 H156 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.11702","0.074","","","0.18329","0.20145","","","","","","1.75","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151289","9.081","0.002","20.626","0.004","15.6","0.003","90","","98.69","0.02","90","","2888.4","1","296.2","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C36 H35 N O2 -","- C36 H35 N O2 -","- C144 H140 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.15362","0.06905","","","0.1593","0.20345","","","","","","1.423","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151290","10.088","0.008","16.317","0.006","9.031","0.006","91.18","0.04","97.28","0.06","72.73","0.04","1407.9","1.6","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N O2 S -","- C34 H33 N O2 S -","- C68 H66 N2 O4 S2 -","2","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.27713","0.10888","","","0.24298","0.28412","","","","","","1.601","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151291","9.471","0.005","30.489","0.006","10.734","0.005","90","","114.03","0.03","90","","2831","2","296.2","","","","","","","","","","","4","P 1 21/a 1","-P 2yab","14","","","","- C34 H39 N O2 -","- C34 H39 N O2 -","- C136 H156 N4 O8 -","4","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.11358","0.05277","","","0.1171","0.16084","","","","","","1.102","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151292","20.947","0.007","31.759","0.007","8.758","0.007","90","","90","","90","","5826","5","296.2","","","","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C36 H35 N O2 -","- C36 H35 N O2 -","- C288 H280 N8 O16 -","8","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.19307","0.05528","","","0.10825","0.18927","","","","","","0.999","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151293","11.009","0.002","13.949","0.005","9.752","0.002","97.99","0.02","101.46","0.02","72.82","0.02","1397.1","0.7","296.2","","","","","","","","","","","5","P -1","-P 1","2","","","","- C34 H33 N O2 S -","- C34 H33 N O2 S -","- C68 H66 N2 O4 S2 -","2","1","","Ooyama, Yousuke; Yoshikawa, Shintaro; Watanabe, Shigeru; Yoshida, Katsuhira","Molecular design of novel non-planar heteropolycyclic fluorophores with bulky substituents: convenient synthesis and solid-state fluorescence characterization.","Organic & biomolecular chemistry","2006","4","18","3406","3409","10.1039/b607891e","","","0.7107","MoKα","","0.15428","0.08277","","","0.20434","0.22675","","","","","","1.779","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151294","8.2013","0.0012","10.5938","0.0016","10.916","0.0017","114.849","0.003","101.576","0.003","99.321","0.003","810.1","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H22 N2 O3 -","- C18 H22 N2 O3 -","- C36 H44 N4 O6 -","2","1","","Wang, Xiaowei; Lou, Qinghua; Guo, Ying; Xu, Yang; Zhang, Zhili; Liu, Junyi","The design and synthesis of 9-phenylcyclohepta[d]pyrimidine-2,4-dione derivatives as potent non-nucleoside inhibitors of HIV reverse transcriptase.","Organic & biomolecular chemistry","2006","4","17","3252","3258","10.1039/b607972p","","","0.71073","MoKα","","0.0654","0.0509","","","0.137","0.1487","","","","","","1.038","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151295","7.1485","0.0011","13.16","0.002","14.239","0.002","90","","90","","90","","1339.5","0.3","173.1","","","","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C11 H22 I N O -","- C11 H22 I N O -","- C44 H88 I4 N4 O4 -","4","1","","Gawley, Robert E.; Eddings, Daniel B.; Santiago, Marcelina; Vicic, Davic A.","Diastereoselectivity of polar and radical couplings in electrophilic substitutions of rigid 2-lithio-N-methylpyrrolidines.","Organic & biomolecular chemistry","2006","4","23","4285","4291","10.1039/b608013h","","","0.7107","MoKα","","","0.0534","","","","0.1033","","","","","","1.762","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151296","9.6549","0.0002","12.9703","0.0003","14.7696","0.0004","90","","108.643","0.001","90","","1752.5","0.07","150","2","150","2","","","","","","","","3","P 1 21/a 1","-P 2yab","14","5-(4-Methoxybenzylidene)-2-methyl-2-(2-phenylethyl)-1,3- dioxane-4,6-dione","5-(4-Methoxybenzylidene)-2-methyl-2-(2-phenylethyl)-1,3-dioxane-4,6-dione","","- C21 H20 O5 -","- C21 H20 O5 -","- C84 H80 O20 -","4","1","","Casadesus, Meritxell; Coogan, Michael P.; Ooi, Li-Ling","Synthesis of 5-alkylidene-1,3-dioxane-4,6-diones, an easily accessible family of axially chiral alkenes: preparation in non-racemic form and platinum binding studies.","Organic & biomolecular chemistry","2006","4","20","3822","3830","10.1039/b608785j","","","0.71073","MoKα","","0.0899","0.0524","","","0.1052","0.1171","","","","","","1.032","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151297","20.617","0.001","9.336","0.001","20.742","0.002","90","","95.882","0.006","90","","3971.4","0.6","130","","130","","","","","","","","by syntheses / see text","4","P 1 21/a 1","-P 2yab","14","","","","- C44 H48 O10 S2 -","- C44 H48 O10 S2 -","- C176 H192 O40 S8 -","4","1","","Geertsema, Edzard M.; Schoevaars, Anne Marie; Meetsma, Auke; Feringa, Ben L.","Bisthioxanthylidene biscrown ethers as potential stereodivergent chiral ligands","Organic & Biomolecular Chemistry","2006","4","22","4101","","10.1039/b609271c","","","0.71073","MoKα","","0.1665","0.1148","","","0.3048","0.3425","","","","","","1.09","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151298","12.865","0.011","15.761","0.011","19.557","0.011","90","","90","","90","","3965","5","210","2","210","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C23 H20 Br N O2 -","- C23 H19 Br N O2 -","- C184 H152 Br8 N8 O16 -","8","2","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.218","0.111","","0.24","0.175","","","","1.33","1.37","1.37","","","","","has coordinates","180298","2020-10-21","18:00:00",""
"7151299","9.5722","0.0011","11.5881","0.0013","23.044","0.003","90","","90","","90","","2556.1","0.5","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C27 H35 N O5 -","- C27 H35 N O5 -","- C108 H140 N4 O20 -","4","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0359","0.0297","","","0.0753","0.0787","","","","","","1.053","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151300","11.7081","0.0008","10.0539","0.0007","13.8008","0.001","90","","97.039","0.002","90","","1612.3","0.2","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C34 H40 I N O5 -","- C34 H40 I N O5 -","- C68 H80 I2 N2 O10 -","2","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0338","0.0286","","","0.0649","0.0675","","","","","","0.954","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151301","9.4857","0.001","9.8441","0.001","13.0354","0.0014","90","","100.138","0.002","90","","1198.2","0.2","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","2,2-dimethyl-4-(S)-spiro[4H-1-benzopyran-4R,4'-(3'H)-[1H-2] benzopyran-3(S)-yl]oxazolidinine-3-carboxylic acod tert butyl carbamate","","- C27 H31 N O5 -","- C27 H31 N O5 -","- C54 H62 N2 O10 -","2","1","","Booker, James E. M.; Boto, Alicia; Churchill, Gwydion H.; Green, Clive P.; Ling, Matthew; Meek, Graham; Prabhakaran, Jaya; Sinclair, David; Blake, Alexander J.; Pattenden, Gerald","Approaches to the quaternary stereocentre and to the heterocyclic core in diazonamide A using the Heck reaction and related coupling reactions","Organic & Biomolecular Chemistry","2006","4","22","4193","","10.1039/b609604b","","","0.71073","MoKα","","0.0574","0.0376","","","0.0678","0.0739","","","","","","0.928","","","","has coordinates","211332","2020-10-21","18:00:00",""
"7151302","34.004","0.004","15.738","0.003","26.894","0.004","90","","122.233","0.005","90","","12174","3","193","2","193","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C61.5 H76.5 Cl1.5 N6 O6 -","- C61.5 H76.5 Cl1.5 N6 O6 -","- C492 H612 Cl12 N48 O48 -","8","1","","Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker","Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes.","Organic & biomolecular chemistry","2006","4","21","3938","3944","10.1039/b609707c","","","1.54178","CuKα","","0.151","0.1004","","","0.292","0.326","","","","","","1.089","","","","has coordinates","176453","2020-10-21","18:00:00",""
"7151303","14.362","0.0006","14.73","0.0006","18.993","0.0006","67.851","0.001","70.264","0.001","80.386","0.001","3499.3","0.2","120","2","120","2","","","","","","","","6","P -1","-P 1","2","","","","- C63 H78 Cl6 N6 O12 S3 -","- C63 H78 Cl6 N6 O12 S3 -","- C126 H156 Cl12 N12 O24 S6 -","2","1","","Rudzevich, Yuliya; Rudzevich, Valentyn; Schollmeyer, Dieter; Thondorf, Iris; Böhmer, Volker","Hydrogen bonding in dimers of tritolyl and tritosylurea derivatives of triphenylmethanes.","Organic & biomolecular chemistry","2006","4","21","3938","3944","10.1039/b609707c","","","0.71073","MoKα","","0.1602","0.0909","","","0.2362","0.2816","","","","","","1.039","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151304","5.8431","0.0012","7.9668","0.0017","9.1733","0.0019","114.831","0.003","97.043","0.003","99.449","0.003","373.43","0.14","293","2","293","2","","","","","","","","4","P 1","P 1","1","pivaloyl-prolyl-glycyl-N-methyl amide","pivaloyl-prolyl-glycyl-N-methyl amide","","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","- C13 H23 N3 O3 -","1","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0369","0.0365","","","0.0979","0.0983","","","","","","1.069","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151305","6.297","0.003","11.589","0.005","22.503","0.009","90","","90","","90","","1642.2","1.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pivaloyl-prolyl-beta-glycyl-N-methyl amide","pivaloyl-prolyl-beta-glycyl-N-methyl amide","","- C14 H27 N3 O4 -","- C14 H27 N3 O4 -","- C56 H108 N12 O16 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0487","0.0439","","","0.1211","0.1246","","","","","","1.076","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151306","6.157","0.002","11.547","0.004","23.404","0.008","90","","90","","90","","1663.9","1","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","pivaloyl-prolyl-beta-glycyl-methyl ester","pivaloyl-prolyl-beta-glycyl-methyl ester","","- C14 H26 N2 O5 -","- C14 H26 N2 O5 -","- C56 H104 N8 O20 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.0556","0.05","","","0.1379","0.1428","","","","","","1.124","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151307","11.33","0.01","25.56","0.02","6.243","0.006","90","","90","","90","","1808","3","293","2","293","2","","","","","","","","4","P 21 21 2","P 2 2ab","18","pivaloyl-prolyl-delta-aminovaleric acid-methyl ester","pivaloyl-prolyl-delta-aminovaleric acid-methyl ester","","- C16 H28 N2 O5 -","- C16 H28 N2 O5 -","- C64 H112 N8 O20 -","4","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.098","0.0919","","","0.2344","0.2382","","","","","","1.143","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151308","9.7591","0.0016","9.7591","0.0016","29.158","0.01","90","","90","","120","","2405","1","293","2","293","2","","","","","","","","4","P 61","P 61","169","t-butyloxycarbonyl-prolyl-gaba-aminobutyric acid","t-butyloxycarbonyl-prolyl-gaba-aminobutyric acid","","- C14 H24 N2 O5 -","- C14 H24 N2 O5 -","- C84 H144 N12 O30 -","6","1","","Sengupta, Anindita; Aravinda, Subrayashastry; Shamala, Narayanaswamy; Raja, K. Muruga Poopathi; Balaram, Padmanabhan","Structural studies of model peptides containing ?-, ?- and ?-amino acids","Organic & Biomolecular Chemistry","2006","4","22","4214","","10.1039/b609863k","","","0.71073","MoKα","","0.099","0.0773","","","0.1243","0.1306","","","","","","1.263","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151309","24.3549","0.0008","13.9993","0.0004","26.1244","0.0007","90","","94.689","0.002","90","","8877.3","0.5","100","2","100","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C49 H45 Cl3 N4 O2 -","- C49 H45 Cl3 N4 O2 -","- C392 H360 Cl24 N32 O16 -","8","1","","Gu, Rong; Van Hecke, Kristof; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Oxidative reactions of 6-pentyl indolo[3,2-b]carbazole: formation of novel C-C and C-N coupled dimers.","Organic & biomolecular chemistry","2006","4","20","3785","3789","10.1039/b610040f","","","1.54178","CuKα","","0.1108","0.0776","","","0.1669","0.1793","","","","","","1.042","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151310","12.4498","0.0007","13.0721","0.0006","17.1213","0.0008","76.028","0.003","88.352","0.004","64.368","0.003","2428.7","0.2","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C55 H60 N4 O3 -","- C55 H60 N4 O3 -","- C110 H120 N8 O6 -","2","1","","Gu, Rong; Van Hecke, Kristof; Van Meervelt, Luc; Toppet, Suzanne; Dehaen, Wim","Oxidative reactions of 6-pentyl indolo[3,2-b]carbazole: formation of novel C-C and C-N coupled dimers.","Organic & biomolecular chemistry","2006","4","20","3785","3789","10.1039/b610040f","","","1.54178","CuKα","","0.0811","0.0711","","","0.1454","0.1497","","","","","","1.043","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151311","18.188","0.003","7.049","0.001","17.257","0.002","90","","121.24","0.002","90","","1891.7","0.5","150","2","150","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C25 H23 N O -","- C25 H23 N O -","- C100 H92 N4 O4 -","4","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0535","0.037","","","0.086","0.0943","","","","","","1.098","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151312","7.284","0.003","9.462","0.003","18.426","0.006","76.24","0.005","84.707","0.006","68.069","0.005","1144.2","0.7","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C31 H27 N O -","- C31 H27 N O -","- C62 H54 N2 O2 -","2","2","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0826","0.0538","","","0.1255","0.1422","","","","","","1","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151313","7.6834","0.001","10.5554","0.0014","16.299","0.002","90","","93.517","0.002","90","","1319.4","0.3","150","2","150","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H30 Cl2 N2 O3 -","- C31 H30 Cl2 N2 O3 -","- C62 H60 Cl4 N4 O6 -","2","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.0343","0.0309","","","0.0745","0.0766","","","","","","1.045","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151314","10.3383","0.0014","9.6773","0.0013","14.613","0.002","90","","108.054","0.002","90","","1390","0.3","150","2","150","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C36 H32 N2 O3 -","- C36 H32 N2 O3 -","- C72 H64 N4 O6 -","2","1","","Adams, Harry; Bawa, Ramadan A.; Jones, Simon","N-Alkyl oxazolidines as stereocontrol elements in asymmetric Diels?Alder cycloadditions of 9-substituted anthracene derivatives","Organic & Biomolecular Chemistry","2006","4","22","4206","","10.1039/b610055d","","","0.71073","MoKα","","0.058","0.0386","","","0.0851","0.0935","","","","","","1.097","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151315","11.945","0.001","11.653","0.002","16.339","0.002","90","","127.717","0.007","90","","1799.1","0.4","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H23 N O3 -","- C22 H23 N O3 -","- C88 H92 N4 O12 -","4","1","","Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E","Short, asymmetric synthesis of epi-morphine ACNO analogues.","Organic & biomolecular chemistry","2006","4","21","3898","3900","10.1039/b610148h","","","1.54178","CuKα","","0.0422","0.0402","","","0.114","0.1159","","","","","","1.071","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151316","17.576","0.003","15.667","0.002","7.465","0.001","90","","90.461","0.011","90","","2055.5","0.5","293","2","293","2","","","","","","","","4","C 1 c 1","C -2yc","9","","","","- C24 H24 N2 O4 -","- C24 H24 N2 O4 -","- C96 H96 N8 O16 -","4","1","","Heureux, Nicolas; Wouters, Johan; Norberg, Bernadette; Markó, István E","Short, asymmetric synthesis of epi-morphine ACNO analogues.","Organic & biomolecular chemistry","2006","4","21","3898","3900","10.1039/b610148h","","","1.54178","CuKα","","0.0387","0.0378","","","0.1093","0.1105","","","","","","1.1","","","","has coordinates","176432","2020-10-21","18:00:00",""
"7151317","9.1809","0.0018","6.4336","0.0012","11.416","0.002","90","","108.32","0.004","90","","640.1","0.2","294","2","294","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C14 H22 O -","- C14 H22 O -","- C28 H44 O2 -","2","1","","Chang, Wen-Sheng; Shia, Kak-Shan; Liu, Hsing-Jang; Wei Ly, Tai","The first total synthesis of xenitorins B and C: assignment of absolute configuration.","Organic & biomolecular chemistry","2006","4","20","3751","3753","10.1039/b610427d","","","0.71073","MoKα","","0.0759","0.0436","","","0.0947","0.1042","","","","","","0.841","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151318","11.6475","0.0003","14.2692","0.0003","12.073","0.0003","90","","106.561","0.001","90","","1923.3","0.08","120","2","","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C21 H21 O3 P S2 -","- C21 H21 O3 P S2 -","- C84 H84 O12 P4 S8 -","4","1","","Ju-Nam, Yon; Bricklebank, Neil; Allen, David W.; Gardiner, Philip H. E.; Light, Mark E.; Hursthouse, Michael B.","Phosphonioalkylthiosulfate zwitterions‒new masked thiol ligands for the formation of cationic functionalised gold nanoparticles.","Organic & biomolecular chemistry","2006","4","23","4345","4351","10.1039/b610480k","","","","","","0.0565","0.0416","","","0.0994","0.1068","","","","","","1.043","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151319","9.05","0.0003","14.3012","0.0004","15.0732","0.0006","90","","96.326","0.002","90","","1938.98","0.11","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H33 O3 P S2 -","- C15 H33 O3 P S2 -","- C60 H132 O12 P4 S8 -","4","1","","Ju-Nam, Yon; Bricklebank, Neil; Allen, David W.; Gardiner, Philip H. E.; Light, Mark E.; Hursthouse, Michael B.","Phosphonioalkylthiosulfate zwitterions‒new masked thiol ligands for the formation of cationic functionalised gold nanoparticles.","Organic & biomolecular chemistry","2006","4","23","4345","4351","10.1039/b610480k","","","0.71073","MoKα","","0.0775","0.0594","","","0.1487","0.1589","","","","","","1.042","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151320","11.7699","0.0008","9.9771","0.0007","21.9102","0.0015","90","","90","","90","","2572.9","0.3","193","2","193","2","","","","","","","","4","P c a 21","P 2c -2ac","29","milkb01","","","- C14 H17 N O3 -","- C14 H17 N O3 -","- C112 H136 N8 O24 -","8","2","","Bucholtz, Kevin M.; Gareiss, Peter C.; Tajc, Stephen G.; Miller, Benjamin L.","Synthesis and evaluation of the first cis-cyclobutane-containing receptor for lipid A.","Organic & biomolecular chemistry","2006","4","21","3973","3979","10.1039/b610727c","","","0.71073","MoKα","","0.0718","0.0568","","","0.1521","0.1608","","","","","","1.056","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151321","14.322","0.004","8.975","0.002","17.157","0.004","90","","97.742","0.005","90","","2185.3","0.9","95","2","95","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C53 H48 Cl N3 O5 -","- C53 H48 Cl N3 O5 -","- C106 H96 Cl2 N6 O10 -","2","1","","Zhang, Weicheng; Wu, Shulin; Zhang, Zhaoguo; Yennawar, Hemant; Zhang, Xumu","Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol.","Organic & biomolecular chemistry","2006","4","24","4474","4477","10.1039/b610879b","","","0.71073","MoKα","","0.1015","0.0571","","","0.1314","0.1637","","","","","","1.045","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151322","9.2512","0.0015","19.807","0.003","34.048","0.005","90","","90","","90","","6238.9","1.7","98","2","98","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C63.53 H64.29 Cl N7.76 O6 -","- C63.528 H64.292 Cl N7.764 O6 -","- C254.112 H257.168 Cl4 N31.056 O24 -","4","1","","Zhang, Weicheng; Wu, Shulin; Zhang, Zhaoguo; Yennawar, Hemant; Zhang, Xumu","Practical synthesis of chiral 9,9'-spirobixanthene-1,1'-diol.","Organic & biomolecular chemistry","2006","4","24","4474","4477","10.1039/b610879b","","","0.71073","MoKα","","0.0795","0.067","","","0.1627","0.169","","","","","","1.07","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151323","28.768","0.005","8.9966","0.0012","17.703","0.003","90","","108.727","0.004","90","","4339.2","1.2","153","2","153","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C27 H24 N2 O4 -","- C27 H24 N2 O4 -","- C216 H192 N16 O32 -","8","1","","Tu, Shu-Jiang; Jiang, Bo; Zhang, Jun-Yong; Jia, Run-Hong; Zhang, Yan; Yao, Chang-Sheng","Efficient and direct synthesis of poly-substituted indeno[1,2-b]quinolines assisted by p-toluene sulfonic acid using high-temperature water and microwave heating via one-pot, three-component reaction.","Organic & biomolecular chemistry","2006","4","21","3980","3985","10.1039/b611462h","","","0.7107","MoKα","","0.0758","0.0617","","","0.1182","0.124","","","","","","1.195","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151324","15.081","0.002","9.4381","0.0014","35.102","0.006","90","","92.041","0.003","90","","4993.1","1.3","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C59 H53 N3 O5 S2 -","- C59 H53 N3 O5 S2 -","- C236 H212 N12 O20 S8 -","4","1","","Tu, Shu-Jiang; Jiang, Bo; Zhang, Jun-Yong; Jia, Run-Hong; Zhang, Yan; Yao, Chang-Sheng","Efficient and direct synthesis of poly-substituted indeno[1,2-b]quinolines assisted by p-toluene sulfonic acid using high-temperature water and microwave heating via one-pot, three-component reaction.","Organic & biomolecular chemistry","2006","4","21","3980","3985","10.1039/b611462h","","","0.71073","MoKα","","0.1602","0.0629","","","0.1486","0.2054","","","","","","1.005","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151325","10.6783","0.0003","8.1891","0.0002","11.1365","0.0003","90","","98.9319","0.0017","90","","962.03","0.04","150","","150","","","","","","The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.","","synthesis as described","5","P 1 21 1","P 2yb","4","","","","- C18 H25 N O6 S -","- C18 H25 N O6 S -","- C36 H50 N2 O12 S2 -","2","1","","Moloney, Mark G.; Panchal, Terry; Pike, Richard","trans-2,5-Disubstituted pyrrolidines: Rapid stereocontrolled access from sulfones.","Organic & biomolecular chemistry","2006","4","21","3894","3897","10.1039/b611583g","","","0.71073","MoKα","","0.0522","0.0334","","0.0553","0.034","0.034","","","","","","1.1154","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151326","7.6916","0.0003","11.7602","0.0005","8.2773","0.0004","90","","95.392","0.003","90","","745.41","0.06","273","2","273","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C15 H22 O3 -","- C15 H22 O3 -","- C30 H44 O6 -","2","1","","Smith, Timothy R.; Clark, Andrew J.; Clarkson, Guy J.; Taylor, Paul C.; Marsh, Andrew","Concise enantioselective synthesis of abscisic acid and a new analogue","Organic & Biomolecular Chemistry","2006","4","22","4186","","10.1039/b611880a","","","1.54178","CuKα","","0.0387","0.0348","","","0.0846","0.0879","","","","","","1.06","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151327","11.5181","0.0009","11.8484","0.0009","18.2094","0.0014","96.201","0.002","105.504","0.001","113.542","0.001","2129.4","0.3","293","2","293","2","","","","","","","","8","P -1","-P 1","2","","","","- C43 H36 Br2 Cl2 O2 P2 Pd S -","- C43 H36 Br2 Cl2 O2 P2 Pd S -","- C86 H72 Br4 Cl4 O4 P4 Pd2 S2 -","2","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.0953","0.0471","","","0.0894","0.0989","","","","","","0.851","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151328","25.7511","0.0018","13.0925","0.0009","11.5739","0.0008","90","","113.781","0.001","90","","3570.8","0.4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C40 H32 Br2 P2 Pd S -","- C40 H32 Br2 P2 Pd S -","- C160 H128 Br8 P8 Pd4 S4 -","4","0.5","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1024","0.0709","","","0.2024","0.2102","","","","","","1.157","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151329","11.6242","0.0008","11.8469","0.0009","16.614","0.0013","90.399","0.001","105.424","0.002","98.501","0.001","2178.7","0.3","293","2","293","2","","","","","","","","9","P -1","-P 1","2","","","","- C42 H34 Br2 Cl3 N O2 P2 Pd S -","- C42 H34 Br2 Cl3 N O2 P2 Pd S -","- C84 H68 Br4 Cl6 N2 O4 P4 Pd2 S2 -","2","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.0916","0.0548","","","0.1358","0.1539","","","","","","0.909","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151330","25.775","0.004","13.4291","0.0019","11.7221","0.0016","90","","113.582","0.003","90","","3718.6","0.9","293","2","293","2","","","","","","","","8","C 1 2/c 1","-C 2yc","15","","","","- C40 H33 Br2 N O P2 Pd S -","- C40 H33 Br2 N O P2 Pd S -","- C160 H132 Br8 N4 O4 P8 Pd4 S4 -","4","0.5","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1219","0.0794","","","0.2022","0.2156","","","","","","1.142","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151331","21.459","0.003","11.2009","0.0016","22.854","0.003","90","","102.583","0.004","90","","5361.3","1.3","293","2","293","2","","","","","","","","8","P 1 21/n 1","-P 2yn","14","","","","- C50 H40 Br F3 O2 P2 Pd S -","- C50 H40 Br F3 O2 P2 Pd S -","- C200 H160 Br4 F12 O8 P8 Pd4 S4 -","4","1","","Pereira, Raquel; Furst, Audrey; Iglesias, Beatriz; Germain, Pierre; Gronemeyer, Hinrich; de Lera, Angel R.","Insights into the mechanism of the site-selective sequential palladium-catalyzed cross-coupling reactions of dibromothiophenes/dibromothiazoles and arylboronic acids. Synthesis of PPARbeta/delta agonists.","Organic & biomolecular chemistry","2006","4","24","4514","4525","10.1039/b612235c","","","0.71073","MoKα","","0.1949","0.094","","","0.2117","0.2483","","","","","","0.986","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151332","17.0768","0.0012","14.1377","0.001","27.7514","0.0019","90","","90","","90","","6699.9","0.8","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H30 N4 Ni O2 -","- C45 H30 N4 Ni O2 -","- C360 H240 N32 Ni8 O16 -","8","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.0532","0.044","","","0.1026","0.1073","","","","","","1.229","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151333","17.074","0.003","14.209","0.002","27.882","0.004","90","","90","","90","","6764.3","1.8","130","2","130","2","","","","","","","","5","P b c n","-P 2n 2ab","60","","","","- C45 H30 Cu N4 O2 -","- C45 H30 Cu N4 O2 -","- C360 H240 Cu8 N32 O16 -","8","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.0926","0.0522","","","0.1065","0.1234","","","","","","1.047","","","","has coordinates","180299","2020-10-21","18:00:00",""
"7151334","18.111","0.004","14.986","0.004","27.852","0.006","90","","102.635","0.005","90","","7376","3","130","2","130","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C91 H58 Cl6 N8 Ni2 O2 -","- C91 H58 Cl6 N8 Ni2 O2 -","- C364 H232 Cl24 N32 Ni8 O8 -","4","1","","Tillmann Köpke; Maren Pink; Jeffrey M. Zaleski","Photochemical preparation of pyrrole ring-contracted chlorins by the Wolff rearrangement","Organic & Biomolecular Chemistry","2006","4","22","4059","","10.1039/b612776m","","","0.71073","MoKα","","0.1465","0.0715","","","0.1805","0.2276","","","","","","1.011","","","","has coordinates,has disorder","180299","2020-10-21","18:00:00",""
"7151335","9.227","0.002","12.144","0.003","12.904","0.003","90","","91.55","0.015","90","","1445.4","0.6","273","2","273","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C14 H15 Cl N2 O2 -","- C14 H15 Cl N2 O2 -","- C56 H60 Cl4 N8 O8 -","4","1","","Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A.","A novel approach to functionalised pyridazinone arrays.","Organic & biomolecular chemistry","2006","4","23","4278","4280","10.1039/b613223e","","","0.71073","MoKα","","0.0916","0.0418","","","0.1055","0.1266","","","","","","0.99","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151336","25.7394","0.001","25.7394","0.001","5.9168","0.0006","90","","90","","90","","3920","0.5","150","2","150","2","","","","","","","","5","P 4/n :2","-P 4a","85","","","","- C21 H18 Cl N3 O4 -","- C21 H18 Cl N3 O4 -","- C168 H144 Cl8 N24 O32 -","8","1","","Helm, Matthew D.; Plant, Andrew; Harrity, Joseph P. A.","A novel approach to functionalised pyridazinone arrays.","Organic & biomolecular chemistry","2006","4","23","4278","4280","10.1039/b613223e","","","0.71073","MoKα","","0.0801","0.045","","","0.0966","0.1143","","","","","","1.027","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151337","5.9604","0.0012","8.5899","0.0017","17.36","0.003","92.596","0.004","95.039","0.004","99.803","0.004","870.8","0.3","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H29 N O6 -","- C18 H29 N O6 -","- C36 H58 N2 O12 -","2","1","","Amewu, Richard; Stachulski, Andrew V.; Ward, Stephen A.; Berry, Neil G.; Bray, Patrick G.; Davies, Jill; Labat, Gael; Vivas, Livia; O'Neill, Paul M","Design and synthesis of orally active dispiro 1,2,4,5-tetraoxanes; synthetic antimalarials with superior activity to artemisinin.","Organic & biomolecular chemistry","2006","4","24","4431","4436","10.1039/b613565j","","","0.71073","MoKα","","0.0948","0.0761","","","0.1793","0.1924","","","","","","1.014","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151338","6.261","0.0006","37.479","0.003","8.6291","0.0008","90","","90.841","0.002","90","","2024.7","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H33 N O6 -","- C22 H33 N O6 -","- C88 H132 N4 O24 -","4","1","","Amewu, Richard; Stachulski, Andrew V.; Ward, Stephen A.; Berry, Neil G.; Bray, Patrick G.; Davies, Jill; Labat, Gael; Vivas, Livia; O'Neill, Paul M","Design and synthesis of orally active dispiro 1,2,4,5-tetraoxanes; synthetic antimalarials with superior activity to artemisinin.","Organic & biomolecular chemistry","2006","4","24","4431","4436","10.1039/b613565j","","","0.71073","MoKα","","0.0779","0.0707","","","0.1875","0.1943","","","","","","1.056","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151339","7.5911","0.0012","14.524","0.002","26.489","0.004","90","","90","","90","","2920.5","0.8","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Br N2 O -","- C18 H11 Br N2 O -","- C144 H88 Br8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0829","0.0408","","","0.0678","0.0776","","","","","","0.868","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151340","8.6767","0.0012","7.7705","0.0011","19.715","0.003","90","","91.173","0.003","90","","1329","0.3","150","2","150","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H11 F N2 O -","- C18 H11 F N2 O -","- C72 H44 F4 N8 O4 -","4","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.1018","0.0672","","","0.1715","0.1905","","","","","","1.02","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151341","7.605","0.002","14.272","0.004","26.587","0.007","90","","90","","90","","2885.7","1.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C18 H11 Cl N2 O -","- C18 H11 Cl N2 O -","- C144 H88 Cl8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.2187","0.0895","","","0.0811","0.1086","","","","","","1.029","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151342","23.342","0.004","7.5017","0.0014","17.36","0.003","90","","103.055","0.003","90","","2961.2","0.9","150","2","150","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C18 H13 Br N2 O -","- C18 H13 Br N2 O -","- C144 H104 Br8 N16 O8 -","8","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0458","0.0365","","","0.0887","0.0916","","","","","","0.964","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151343","11.686","0.003","7.3469","0.0016","16.098","0.004","90","","99.71","0.004","90","","1362.3","0.6","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C18 H13 F N2 O -","- C18 H13 F N2 O -","- C72 H52 F4 N8 O4 -","4","1","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0689","0.045","","","0.0826","0.0896","","","","","","0.937","","","","has coordinates","202017","2020-10-21","18:00:00",""
"7151344","6.223","0.0018","13.841","0.004","15.692","0.005","92.103","0.007","93.903","0.005","102.953","0.005","1312.3","0.7","150","2","150","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H12 N2 O -","- C18 H12 N2 O -","- C72 H48 N8 O4 -","4","2","","García, Marcos D; Wilson, A. James; Emmerson, Daniel P. G.; Jenkins, Paul R.; Mahale, Sachin; Chaudhuri, Bhabatosh","Synthesis, crystal structure and biological activity of beta-carboline based selective CDK4-cyclin D1 inhibitors.","Organic & biomolecular chemistry","2006","4","24","4478","4484","10.1039/b613861f","","","0.71073","MoKα","","0.0758","0.0486","","","0.0947","0.1042","","","","","","1.003","","","","has coordinates","198633","2020-10-21","18:00:00",""