# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-19T12:17:06+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 'Journal of Combinatorial Chemistry') 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
"1502626","7.9826","0.0001","15.1896","0.0002","14.0058","0.0002","90","","106.311","0.001","90","","1629.89","0.04","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C17 H16 Br N O3 S -","- C17 H16 Br N O3 S -","- C68 H64 Br4 N4 O12 S4 -","4","1","","Yao, Chang-Sheng; Wang, Cui-Hua; Jiang, Bei; Tu, Shu-Jiang","One-pot combinatorial synthesis of 4-aryl-1H-thiopyrano[3,4-b]pyridine-5-one derivatives.","Journal of combinatorial chemistry","2010","12","4","472","475","10.1021/cc100017f","","","0.71073","MoKα","","0.0993","0.0636","","","0.1536","0.1723","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502627","14.7445","0.0002","11.168","0.0002","15.5403","0.0003","90","","111.725","0.001","90","","2377.21","0.07","296","2","296","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 Cl N O2 S -","- C27 H26 Cl N O2 S -","- C108 H104 Cl4 N4 O8 S4 -","4","1","","Yao, Chang-Sheng; Wang, Cui-Hua; Jiang, Bei; Tu, Shu-Jiang","One-pot combinatorial synthesis of 4-aryl-1H-thiopyrano[3,4-b]pyridine-5-one derivatives.","Journal of combinatorial chemistry","2010","12","4","472","475","10.1021/cc100017f","","","0.71073","MoKα","","0.0676","0.045","","","0.1115","0.125","","","","","","1.055","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502628","22.27","0.002","11.0361","0.0006","19.418","0.001","90","","97.983","0.002","90","","4726.2","0.6","299.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 Cl2 N3 O S -","- C24 H27 Cl2 N3 O S -","- C192 H216 Cl16 N24 O8 S8 -","8","1","","Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu","Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity.","Journal of combinatorial chemistry","2010","12","4","518","530","10.1021/cc100041m","","","0.7107","MoKα","","","0.041","","","","0.119","","","","","","1.101","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502629","38.497","0.008","12.466","0.003","11.636","0.003","90","","99.309","0.005","90","","5511","2","296.1","","","","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C30 H34 Cl N3 O2 S -","- C30 H34 Cl N3 O2 S -","- C240 H272 Cl8 N24 O16 S8 -","8","1","","Han, Minsoo; Nam, Kee Dal; Shin, Dongyun; Jeong, Nakcheol; Hahn, Hoh-Gyu","Exploration of novel 2-alkylimino-1,3-thiazolines: T-type calcium channel inhibitory activity.","Journal of combinatorial chemistry","2010","12","4","518","530","10.1021/cc100041m","","","0.7107","MoKα","","","0.163","","","","0.438","","","","","","1.158","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1502630","9.6423","0.0011","20.332","0.002","7.4807","0.0009","90","","97.331","0.002","90","","1454.6","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H17 F O3 -","- C17 H17 F O3 -","- C68 H68 F4 O12 -","4","1","","Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V.","Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes.","Journal of combinatorial chemistry","2010","12","6","855","876","10.1021/cc100104k","","","0.71073","MoKα","","0.0506","0.0436","","","0.1028","0.1071","","","","","","1.063","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502631","8.025","0.003","8.415","0.003","14.351","0.006","87.633","0.008","83.514","0.006","61.76","0.005","848.2","0.6","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C19 H19 N O5 -","- C19 H19 N O5 -","- C38 H38 N2 O10 -","2","1","","Ramachary, Dhevalapally B.; Ramakumar, Kinthada; Bharanishashank, Adluri; Narayana, Vidadala V.","Sequential one-pot combination of multireactions through multicatalysis: a general approach to rapid assembly of functionalized push-pull olefins, phenols, and 2-methyl-2H-chromenes.","Journal of combinatorial chemistry","2010","12","6","855","876","10.1021/cc100104k","","","0.71073","MoKα","","0.1298","0.0884","","","0.1894","0.2121","","","","","","1.074","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502632","17.3823","0.0017","5.3652","0.0005","16.7899","0.0017","90","","109.752","0.002","90","","1473.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H14 N2 O2 -","- C19 H14 N2 O2 -","- C76 H56 N8 O8 -","4","1","","Li, Dewen; Duan, Shudong; Hu, Youhong","Three-component one-pot approach to synthesize benzopyrano[4,3-d]pyrimidines.","Journal of combinatorial chemistry","2010","12","6","895","899","10.1021/cc100173b","","","0.71073","MoKα","","0.0668","0.048","","","0.1174","0.128","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502633","11.0619","0.0012","11.2598","0.0013","17.5329","0.0019","90","","93.662","0.001","90","","2179.3","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H20 N4 S2 -","- C25 H20 N4 S2 -","- C100 H80 N16 S8 -","4","1","","Han, Zheng-Guo; Miao, Chun-Bao; Shi, Feng; Ma, Ning; Zhang, Ge; Tu, Shu-Jiang","Diversity Synthesis of N-Substituted 2-Amino-1,6-naphthyridine Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2010","12","1","16","","10.1021/cc900030e","","","0.71073","MoKα","","0.3127","0.0665","","","0.0863","0.1204","","","","","","0.808","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502634","27.1869","0.0006","10.2149","0.0002","34.7688","0.0009","90","","106.095","0.001","90","","9277.2","0.4","140","2","140","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C22 H35 N3 O2.5 S0.5 -","- C22 H35 N3 O2.5 S0.5 -","- C352 H560 N48 O40 S8 -","16","2","","Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng","Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines","Journal of Combinatorial Chemistry","2010","12","1","186","","10.1021/cc900125a","","","0.71073","MoKα","","0.1044","0.0603","","","0.1446","0.1678","","","","","","1.03","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502635","5.7118","0.0002","25.8049","0.001","11.8905","0.0006","90","","94.801","0.003","90","","1746.42","0.13","140","2","140","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C18 H25 N3 O2 -","- C18 H25 N3 O2 -","- C72 H100 N12 O8 -","4","1","","Shaabani, Ahmad; Maleki, Ali; Hajishaabanha, Fatemeh; Mofakham, Hamid; Seyyedhamzeh, Mozhdeh; Mahyari, Mojtaba; Ng, Seik Weng","Novel Syntheses of Tetrahydrobenzodiazepines and Dihydropyrazines via Isocyanide-Based Multicomponent Reactions of Diamines","Journal of Combinatorial Chemistry","2010","12","1","186","","10.1021/cc900125a","","","0.71073","MoKα","","0.1449","0.0806","","","0.1985","0.2388","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502636","9.2085","0.0009","9.6607","0.001","11.2222","0.0013","77.053","0.001","80.455","0.002","71.635","0.002","918.49","0.17","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H21 N O3 -","- C23 H21 N O3 -","- C46 H42 N2 O6 -","2","1","","Lin, Chi-Hui; Chen, Jhih-Rong; Yang, Ding-Yah","Syntheses of Quaternary Carbon-Containing Oxazatricycle and Spiropyran Libraries via Multicomponent Reactions and Their Molecular Switching Properties","Journal of Combinatorial Chemistry","2010","12","1","119","","10.1021/cc900127g","","x-ray","0.71073","MoKα","","0.0696","0.0494","","","0.1328","0.1484","","","","","","1.045","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1502637","9.6289","0.0018","12.161","0.002","13.927","0.003","75.761","0.004","89.878","0.004","70.641","0.004","1485.7","0.5","297","2","297","2","","","","","","","","4","P -1","-P 1","2","","","","- C31 H29 N O5 -","- C31 H29 N O5 -","- C62 H58 N2 O10 -","2","1","","Lin, Chi-Hui; Chen, Jhih-Rong; Yang, Ding-Yah","Syntheses of Quaternary Carbon-Containing Oxazatricycle and Spiropyran Libraries via Multicomponent Reactions and Their Molecular Switching Properties","Journal of Combinatorial Chemistry","2010","12","1","119","","10.1021/cc900127g","","x-ray","0.71073","MoKα","","0.1196","0.0778","","","0.228","0.2627","","","","","","1.122","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1502638","14.7393","0.0004","10.7465","0.0003","25.4251","0.0007","90","","90","","90","","4027.23","0.19","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","4-(4-Bromophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","","- C25 H15 Br N4 -","- C25 H15 Br N4 -","- C200 H120 Br8 N32 -","8","1","BT2842","Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T.","Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole","Journal of Combinatorial Chemistry","2010","12","1","161","","10.1021/cc9001394","","","0.71073","MoKα","","0.0934","0.0401","","","0.0949","0.1202","","","","","","0.991","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502639","8.0158","0.0009","10.0261","0.0012","14.3653","0.0017","72.26","0.006","79.42","0.006","78.224","0.006","1067.3","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","4-(2,4-Dichlorophenyl)-1,4-dihydro-2-(1H-indol-3-yl)-6-(pyridine-3- carbonitrile","4-(2,4-Dichlorophenyl)-2-(1<i>H</i>-indol-3-yl)-6-(2-pyridyl)- 1,4-dihydropyridine-4-carbonitrile","","- C25 H16 Cl2 N4 -","- C25 H16 Cl2 N4 -","- C50 H32 Cl4 N8 -","2","1","BT2767","Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T.","Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole","Journal of Combinatorial Chemistry","2010","12","1","161","","10.1021/cc9001394","","","0.71073","MoKα","","0.0534","0.0436","","","0.1237","0.1397","","","","","","1.079","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502640","10.0307","0.0012","22.446","0.003","17.932","0.003","90","","90.991","0.004","90","","4036.8","1","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","4-(2, 4-Dichlorophenyl)-6-(1H-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","4-(2, 4-Dichlorophenyl)-6-(1<i>H</i>-indol-3-yl)-2,2'-bipyridine-5-carbonitrile","","- C25 H14 Cl2 N4 -","- C25 H14 Cl2 N4 -","- C200 H112 Cl16 N32 -","8","2","BT2890","Thirumurugan, Prakasam; Nandakumar, A.; Muralidharan, D.; Perumal, Paramasivan T.","Simple and Convenient Approach to the Kr€ohnke Pyridine Type Synthesis of Functionalized Indol-3-yl Pyridine Derivatives Using 3-Cyanoacetyl Indole","Journal of Combinatorial Chemistry","2010","12","1","161","","10.1021/cc9001394","","","0.71073","MoKα","","0.0716","0.0426","","","0.1135","0.141","","","","","","1.062","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1502641","9.2367","0.0006","9.6213","0.0013","10.4565","0.0008","103.872","0.006","114.049","0.004","92.266","0.006","813.92","0.14","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C21 H18 Cl N O -","- C21 H18 Cl N O -","- C42 H36 Cl2 N2 O2 -","2","1","","Wang, Xiang-Shan; Zhou, Jie; Yin, Ming-Yue; Yang, Ke; Tu, Shu-Jiang","Efficient and highly selective method for the synthesis of benzo(naphtho)quinoline derivatives catalyzed by iodine.","Journal of combinatorial chemistry","2010","12","2","266","269","10.1021/cc900165j","","","0.71073","MoKα","","0.0572","0.0426","","","0.1057","0.1153","","","","","","1.058","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502642","9.1128","0.001","10.1416","0.0012","10.6352","0.0013","76.379","0.008","81.633","0.008","74.199","0.008","915.66","0.19","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H20 F N O -","- C25 H20 F N O -","- C50 H40 F2 N2 O2 -","2","1","","Wang, Xiang-Shan; Zhou, Jie; Yin, Ming-Yue; Yang, Ke; Tu, Shu-Jiang","Efficient and highly selective method for the synthesis of benzo(naphtho)quinoline derivatives catalyzed by iodine.","Journal of combinatorial chemistry","2010","12","2","266","269","10.1021/cc900165j","","","0.71073","MoKα","","0.1259","0.0923","","","0.2513","0.2745","","","","","","1.081","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502643","9.7976","0.0014","11.3938","0.0017","11.8365","0.0019","90","","120.442","0.008","90","","1139.2","0.3","296","2","296","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 N2 O -","- C12 H16 N2 O -","- C48 H64 N8 O4 -","4","1","","Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang","Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids","Journal of Combinatorial Chemistry","2010","12","4","417","421","10.1021/cc900174p","","","0.71073","MoKα","","0.1619","0.1253","","","0.327","0.3563","","","","","","1.197","","","","has coordinates","219057","2020-10-21","18:00:00",""
"1502644","39.9096","0.0012","11.2986","0.0003","29.634","0.001","90","","131.752","0.003","90","","9969","0.7","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C14 H18 N2 O -","- C14 H18 N2 O -","- C448 H576 N64 O32 -","32","4","","Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang","Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids","Journal of Combinatorial Chemistry","2010","12","4","417","421","10.1021/cc900174p","","","0.71073","MoKα","","0.0893","0.0637","","","0.1871","0.2108","","","","","","1.063","","","","has coordinates","219057","2020-10-21","18:00:00",""
"1502645","6.9285","0.0002","14.9028","0.0004","10.7454","0.0003","90","","94.45","0.002","90","","1106.16","0.05","296","2","296","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C12 H14 N2 O S -","- C12 H14 N2 O S -","- C48 H56 N8 O4 S4 -","4","1","","Wang, Xiang-Shan; Yang, Ke; Zhou, Jie; Tu, Shu-Jiang","Facile Method for the Combinatorial Synthesis of 2,2-Disubstituted Quinazolin-4(1H)-one Derivatives Catalyzed by Iodine in Ionic Liquids","Journal of Combinatorial Chemistry","2010","12","4","417","421","10.1021/cc900174p","","","0.71073","MoKα","","0.0599","0.039","","","0.0872","0.0972","","","","","","1.029","","","","has coordinates","219057","2020-10-21","18:00:00",""
"1502646","4.906","0.0003","9.9103","0.0007","14.4818","0.0011","91.786","0.002","104.35","0.001","110.743","0.001","632.4","0.08","223","2","223","2","","","","","","","","5","P -1","-P 1","2","","2-(Benzylthio)-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","- C14 H13 N3 O S -","- C14 H13 N3 O S -","- C28 H26 N6 O2 S2 -","2","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.0633","0.0485","","","0.1177","0.1252","","","","","","1.047","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1502647","19.8028","0.001","5.2167","0.0003","17.3692","0.0009","90","","108.081","0.001","90","","1705.72","0.16","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2-(Benzylthio)-1-cyclopentyl-7-methylimidazo[1,2-a]pyrimidin-5(1H)-one","","- C19 H21 N3 O S -","- C19 H21 N3 O S -","- C76 H84 N12 O4 S4 -","4","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.055","0.0483","","","0.1199","0.125","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502648","17.4388","0.0009","15.7401","0.0008","14.454","0.0008","90","","105.718","0.001","90","","3819.1","0.3","223","2","223","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","2-(benzylthio)-7-methyl-5-oxo-1,5-dihydroimidazo[1,2-a]pyrimidine-6-carbaldehyde","","- C22 H19 N3 O2 S -","- C22 H19 N3 O2 S -","- C176 H152 N24 O16 S8 -","8","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.0478","0.0419","","","0.1129","0.1171","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1502649","6.9999","0.0004","17.428","0.001","13.8297","0.0008","90","","96.91","0.001","90","","1674.89","0.17","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","(6-Amino-2-benzylsulfanyl-5-phenyl-pyrimidin-4-yloxy)-acetonitrile","","- C19 H16 N4 O S -","- C19 H16 N4 O S -","- C76 H64 N16 O4 S4 -","4","1","","Soh, Chai Hoon; Lam, Yulin","Microwave-assisted synthesis of substituted 2-(benzylthio)imidazo[1,2a]pyrimidin-5-ones.","Journal of combinatorial chemistry","2010","12","2","286","291","10.1021/cc900176x","","","0.71073","MoKα","","0.0481","0.0422","","","0.1053","0.1091","","","","","","1.027","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503634","9.1421","0.001","20.355","0.002","9.6776","0.001","90","","90.67","0.001","90","","1800.8","0.3","295","2","295","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C15 H16 N O10 P -","- C15 H16 N O10 P -","- C60 H64 N4 O40 P4 -","4","1","","Rostamnia, Sadegh; Alizadeh, Abdolali; Zhu, Long-Guan","Novel Three-Component Route to Diastereoselective Synthesis of Trisubstituted Vinylphosphonates Using Phosphites, Acetylenic Esters, and Aroyl Chlorides","Journal of Combinatorial Chemistry","2009","11","1","143","","10.1021/cc800128j","","","0.71073","MoKα","","0.0551","0.0448","","","0.1121","0.1189","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503635","13.466","0.005","5.758","0.002","7.713","0.003","90","","93.049","0.009","90","","597.2","0.4","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 -","- C16 H12 N2 -","- C32 H24 N4 -","2","0.5","","Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke","Modular synthesis of oxazolines and their derivatives.","Journal of combinatorial chemistry","2009","11","2","220","227","10.1021/cc8001537","","","0.71073","MoKα","","0.0879","0.0633","","","0.1564","0.1704","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503636","5.8138","0.0015","9.773","0.003","15.314","0.004","84.585","0.004","88.44","0.005","79.196","0.005","850.8","0.4","293","2","293","2","","","","","","","","4","P 1","P 1","1","","","","- C18 H24 N2 O2 -","- C18 H24 N2 O2 -","- C36 H48 N4 O4 -","2","2","","Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke","Modular synthesis of oxazolines and their derivatives.","Journal of combinatorial chemistry","2009","11","2","220","227","10.1021/cc8001537","","","0.71073","MoKα","","0.0751","0.0592","","","0.1334","0.1546","","","","","","0.995","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503637","7.8004","0.0007","11.6387","0.0011","30.824","0.003","90","","90","","90","","2798.4","0.5","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C17 H14 N2 O -","- C17 H14 N2 O -","- C136 H112 N16 O8 -","8","2","","Mei, Luo; Hai, Zhang Jia; Jie, Sun; Ming, Zhou Shi; Hao, Yin; Liang, Hu Ke","Modular synthesis of oxazolines and their derivatives.","Journal of combinatorial chemistry","2009","11","2","220","227","10.1021/cc8001537","","","0.71073","MoKα","","0.0849","0.0614","","","0.1328","0.1449","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503638","7.147","0.001","12.501","0.0014","13.094","0.0016","118.506","0.002","99.047","0.001","93.074","0.001","1004","0.2","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C42 H40 Br2 N6 O6 -","- C42 H40 Br2 N6 O6 -","- C42 H40 Br2 N6 O6 -","1","0.5","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.1175","0.0602","","","0.1406","0.1545","","","","","","1.055","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503639","11.6798","0.001","14.8279","0.0016","11.8422","0.0012","90","","115.022","0.002","90","","1858.4","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C19 H23 N3 O3 -","- C19 H23 N3 O3 -","- C76 H92 N12 O12 -","4","1","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.0932","0.0451","","","0.112","0.1455","","","","","","1.024","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1503640","7.1563","0.0012","19.637","0.002","13.2746","0.0018","90","","101.74","0.002","90","","1826.4","0.4","298","2","298","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C20 H25 N3 O3 -","- C20 H25 N3 O3 -","- C80 H100 N12 O12 -","4","1","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.0961","0.0476","","","0.0926","0.1042","","","","","","1.016","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503641","6.8061","0.0008","22.23","0.003","14.9656","0.0016","90","","99.243","0.002","90","","2234.9","0.5","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C25 H22 O9 -","- C25 H22 O9 -","- C100 H88 O36 -","4","1","","Hao, Wen-Juan; Jiang, Bo; Tu, Shu-Jiang; Wu, Shan-Shan; Han, Zheng-Guo; Cao, Xu-Dong; Zhang, Xiao-Hong; Yan, Shu; Shi, Feng","Microwave-assisted combinatorial synthesis of new 3-pyrimidin-5-ylpropanamides via a solvent-dependent chemoselective reaction.","Journal of combinatorial chemistry","2009","11","2","310","314","10.1021/cc800175n","","","0.71073","MoKα","","0.3029","0.0943","","","0.1917","0.2599","","","","","","1.005","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503642","8.0245","0.0005","9.6791","0.0006","11.3233","0.0007","91.953","0.002","106.421","0.001","100.371","0.002","826.45","0.09","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","7-benzyl-5,6-dimethyl-2-phenylpyrrolo[2,3-d][1,3]oxazin-4(7H)-one","","- C21 H18 N2 O2 -","- C21 H18 N2 O2 -","- C42 H36 N4 O4 -","2","1","","Che, Jun; Raghavendra, Makam S.; Lam, Yulin","Traceless Solid-Phase Synthesis of Heteroannulated 1,3-Oxazin-6-ones","Journal of Combinatorial Chemistry","2009","11","3","378","","10.1021/cc800193r","","","0.71073","MoKα","","0.0858","0.0575","","","0.1392","0.1536","","","","","","1.035","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503643","25.657","0.002","25.657","0.002","25.657","0.002","90","","90","","90","","16890","2","298","2","298","2","","","","","","","","5","P n -3 :2","-P 2ab 2bc 3","201","","","","- C24 H28.42 Br2 N5 O4.71 -","- C24 H28.4133 Br2 N5 O4.70833 -","- C576 H681.92 Br48 N120 O113 -","24","1","","Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang","Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2009","11","5","809","","10.1021/cc800196u","","","0.71073","MoKα","","0.2899","0.0709","","","0.1255","0.1538","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503644","10.7187","0.0016","10.9704","0.0019","11.153","0.002","109.785","0.002","102.364","0.001","104.201","0.001","1131.1","0.3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C26 H22 N4 S2 -","- C26 H22 N4 S2 -","- C52 H44 N8 S4 -","2","1","","Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang","Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2009","11","5","809","","10.1021/cc800196u","","","0.71073","MoKα","","0.0983","0.0574","","","0.1549","0.1764","","","","","","0.997","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503645","9.8714","0.0013","16.11","0.02","16.131","0.002","95.159","0.001","103.578","0.002","91.954","0.001","2479","3","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C28 H28 N4 O1.5 -","- C28 H28 N4 O1.5 -","- C112 H112 N16 O6 -","4","2","","Han, Zheng-Guo; Zhang, Ge; Jiang, Bo; Ma, Ning; Shi, Feng; Tu, Shu-Jiang","Diversity Synthesis of Pyrimido[4,5-b][1,6]naphthyridine and Its Derivatives under Microwave Irradiation","Journal of Combinatorial Chemistry","2009","11","5","809","","10.1021/cc800196u","","","0.71073","MoKα","","0.24","0.0837","","","0.1784","0.2166","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503646","11.7147","0.0014","6.9466","0.0009","20.785","0.002","90","","90","","90","","1691.4","0.3","298","2","298","2","","","","","","","","5","P n m a","-P 2ac 2n","62","","","","- C19 H17 Cl N2 O2 -","- C19 H17 Cl N2 O2 -","- C76 H68 Cl4 N8 O8 -","4","0.5","","Tu, Shu-Jiang; Zhang, Xiao-Hong; Han, Zheng-Guo; Cao, Xu-Dong; Wu, Shan-Shan; Yan, Shu; Hao, Wen-Juan; Zhang, Ge; Ma, Ning","Synthesis of Isoxazolo[5,4-b]pyridines by Microwave-Assisted Multi-Component Reactions in Water","Journal of Combinatorial Chemistry","2009","11","3","428","","10.1021/cc800212v","","","0.71073","MoKα","","0.0858","0.056","","","0.1294","0.1458","","","","","","1.032","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503647","13.8513","0.0016","7.6116","0.0011","12.6732","0.0015","90","","95.592","0.001","90","","1329.8","0.3","298","2","298","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C16 H12 N2 O4 -","- C16 H12 N2 O4 -","- C64 H48 N8 O16 -","4","1","","Tu, Shu-Jiang; Zhang, Xiao-Hong; Han, Zheng-Guo; Cao, Xu-Dong; Wu, Shan-Shan; Yan, Shu; Hao, Wen-Juan; Zhang, Ge; Ma, Ning","Synthesis of Isoxazolo[5,4-b]pyridines by Microwave-Assisted Multi-Component Reactions in Water","Journal of Combinatorial Chemistry","2009","11","3","428","","10.1021/cc800212v","","","0.71073","MoKα","","0.1284","0.0575","","","0.0806","0.0934","","","","","","1.025","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1503648","8.0812","0.0006","20.3378","0.0016","11.4913","0.0008","90","","94.843","0.004","90","","1881.9","0.2","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C24 H21 N O2 S -","- C24 H21 N O2 S -","- C96 H84 N4 O8 S4 -","4","1","","Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang","Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine","Journal of Combinatorial Chemistry","2009","11","3","433","","10.1021/cc900026x","","","0.71073","MoKα","","0.0961","0.0468","","","0.1153","0.131","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503649","28.2746","0.0006","7.6602","0.0002","7.6661","0.0002","90","","90","","90","","1660.39","0.07","296","2","296","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C22 H17 N O S -","- C22 H17 N O S -","- C88 H68 N4 O4 S4 -","4","1","","Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang","Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine","Journal of Combinatorial Chemistry","2009","11","3","433","","10.1021/cc900026x","","","0.71073","MoKα","","0.0877","0.065","","","0.1955","0.214","","","","","","1.056","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503650","11.3027","0.0003","11.7909","0.0004","12.2358","0.0004","84.75","0.002","72.521","0.002","63.339","0.002","1388.2","0.08","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C30 H32 Br N3 O3 -","- C30 H32 Br N3 O3 -","- C60 H64 Br2 N6 O6 -","2","1","","Wang, Xiang-Shan; Li, Qing; Wu, Jian-Rong; Tu, Shu-Jiang","Efficient Method for the Synthesis of Pyranoquinoline, Thiopyranoquinoline, Thienoquinoline, and Naphtho[2,7]naphthyridine Derivatives Catalyzed by Iodine","Journal of Combinatorial Chemistry","2009","11","3","433","","10.1021/cc900026x","","","0.71073","MoKα","","0.0971","0.0506","","","0.1318","0.1536","","","","","","1.023","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503651","3.999","0.002","10.875","0.006","12.398","0.007","97.269","0.006","95.339","0.007","92.014","0.006","531.9","0.5","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","","","- C13 H10 N2 S -","- C13 H10 N2 S -","- C26 H20 N4 S2 -","2","1","","Ding, Qiuping; He, Xiaodan; Wu, Jie","Synthesis of 2-Aminobenzothiazole via Copper(I)-Catalyzed Tandem Reaction of 2-Iodobenzenamine with Isothiocyanate","Journal of Combinatorial Chemistry","2009","11","4","587","","10.1021/cc900027c","","","0.71073","MoKα","","0.0632","0.0501","","","0.1277","0.1406","","","","","","1.02","","","","has coordinates","194547","2020-10-21","18:00:00",""
"1503652","9.153","0.003","11.9412","0.0007","12.0912","0.0016","114.907","0.009","93.676","0.018","94.575","0.014","1187.8","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H24 N4 O6 S -","- C25 H24 N4 O6 S -","- C50 H48 N8 O12 S2 -","2","1","","Dzhavakhishvili, Sergey G.; Gorobets, Nikolay Yu.; Shishkina, Svetlana V.; Shishkin, Oleg V.; Desenko, Sergey M.; Groth, Ulrich M.","Diversification of a Thieno[2,3-d]pyrimidin-4-one Scaffold via Regioselective Alkylation Reactions","Journal of Combinatorial Chemistry","2009","11","3","508","","10.1021/cc9000373","","","0.71073","MoKα","","0.062","0.0349","","","0.0843","0.0907","","","","","","0.893","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503653","9.2189","0.0015","12.5924","0.0017","14.1","0.002","64.634","0.002","81.467","0.003","69.027","0.002","1381","0.4","298","2","298","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H26 F2 N6 O5 -","- C26 H26 F2 N6 O5 -","- C52 H52 F4 N12 O10 -","2","1","","Jiang, Bo; Cao, Long-Ji; Tu, Shu-Jiang; Zheng, Wen-Rui; Yu, Hai-Zhu","Highly Diastereoselective Domino Synthesis of 6-Spirosubstituted Pyrido[2,3-d]pyrimidine Derivatives in Water","Journal of Combinatorial Chemistry","2009","11","4","612","","10.1021/cc900038g","","","0.71073","MoKα","","0.1526","0.0664","","","0.1072","0.1198","","","","","","1.002","","","","has coordinates","198633","2020-10-21","18:00:00",""
"1503654","10.721","0.002","14.43","0.003","14.681","0.003","90","","91.134","0.004","90","","2270.8","0.8","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H17 F N4 -","- C27 H17 F N4 -","- C108 H68 F4 N16 -","4","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.1139","0.0476","","","0.1005","0.1263","","","","","","0.99","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503655","30.9404","0.0004","9.1578","0.0001","16.8812","0.0002","90","","99.108","0.001","90","","4722.91","0.1","296","2","296","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C24 H27 N5 O3 -","- C24 H27 N5 O3 -","- C192 H216 N40 O24 -","8","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.0665","0.0477","","","0.1415","0.1587","","","","","","1.009","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503656","16.7648","0.0005","9.245","0.0002","15.4532","0.0005","90","","114.316","0.002","90","","2182.63","0.11","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H18 Cl2 N5 O2 -","- C21 H18 Cl2 N5 O2 -","- C84 H72 Cl8 N20 O8 -","4","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.1014","0.063","","","0.1771","0.2008","","","","","","1.043","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503657","9.1603","0.0019","18.484","0.004","14.556","0.003","90","","104.556","0.004","90","","2385.5","0.9","294","2","294","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C28 H19 Cl N4 -","- C28 H19 Cl N4 -","- C112 H76 Cl4 N16 -","4","1","","Wang, Xiang-Shan; Wu, Jian-Rong; Zhou, Jie; Tu, Shu-Jiang","Green Method for the Synthesis of Highly Substituted Cyclohexa-1,3-diene, Polyhydroindene, Polyhydronaphthalene, Isochromene, Isothiochromene, and Isoquinoline Derivatives in Ionic Liquids","Journal of Combinatorial Chemistry","2009","11","6","1011","","10.1021/cc9000482","","","0.71073","MoKα","","0.0945","0.0511","","","0.1209","0.1501","","","","","","1.004","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503658","11.2726","0.0014","11.8903","0.0015","14.5544","0.0017","86.571","0.002","88.755","0.002","81.249","0.001","1924.5","0.4","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","","","- C23 H15 N3 S -","- C23 H15 N3 S -","- C92 H60 N12 S4 -","4","2","","Jiang, Bo; Hao, Wen-Juan; Wang, Xiang; Shi, Feng; Tu, Shu-Jiang","Diversity-Oriented Synthesis of Kröhnke Pyridines","Journal of Combinatorial Chemistry","2009","11","5","846","","10.1021/cc900052b","","","0.71073","MoKα","","0.1233","0.0676","","","0.1736","0.1992","","","","","","1.07","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1503659","8.7519","0.0003","16.8317","0.0005","25.6881","0.0008","90","","90","","90","","3784.1","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","1,3-Dibenzyl-6-(butylamino)-1,3,5-triazine-2,4(1H,3H)-dione","","- C21 H24 N4 O2 -","- C21 H24 N4 O2 -","- C168 H192 N32 O16 -","8","1","","Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin","Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones","Journal of Combinatorial Chemistry","2009","11","6","1050","","10.1021/cc900091e","","","0.71073","MoKα","","0.0807","0.0684","","","0.1681","0.1774","","","","","","1.019","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503660","8.973","0.0005","8.3478","0.0005","28.1826","0.0015","90","","90","","90","","2111","0.2","223","2","223","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","6-(Hydroxyimino)-1-methyl-3-phenyl-1,3,5-triazine-2,4-dione","","- C10 H10 N4 O3 -","- C10 H10 N4 O3 -","- C80 H80 N32 O24 -","8","1","","Kong, Kah-Hoe; Tan, Chong-Kiat; Lam, Yulin","Traceless Solid-Phase Synthesis of 6-Amino- and 6-Hydroxyimino-1,3,5-triazine-2,4-diones and 1,3,5-Triazine-2,4,6-triones","Journal of Combinatorial Chemistry","2009","11","6","1050","","10.1021/cc900091e","","","0.71073","MoKα","","0.0814","0.0708","","","0.148","0.1529","","","","","","1.253","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1503661","10.3181","0.0001","18.679","0.0003","11.1566","0.0002","90","","105.516","0.001","90","","2071.87","0.05","140","2","140","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H20 N2 O5 S -","- C23 H20 N2 O5 S -","- C92 H80 N8 O20 S4 -","4","1","","Shaabani, Ahmad; Ghadari, Rahim; Ghasemi, Sabrieh; Pedarpour, Milad; Rezayan, Ali Hossein; Sarvary, Afshin; Ng, Seik Weng","Novel One-Pot Three- and Pseudo-Five-Component Reactions: Synthesis of Functionalized Benzo[g]- and Dihydropyrano[2,3-g]chromene Derivatives","Journal of Combinatorial Chemistry","2009","11","6","956","","10.1021/cc900101w","","","0.71073","MoKα","","0.0418","0.0338","","","0.0898","0.0974","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504329","9.2494","0.0005","16.5966","0.0009","24.0869","0.0013","90","","100.324","0.001","90","","3637.7","0.3","223","2","223","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","Ethyl 1-Benzyl-4-isopropyl-2-oxo-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-b]pyridine-7-carboxylate","","- C20 H24 N2 O3 -","- C20 H24 N2 O3 -","- C160 H192 N16 O24 -","8","2","","Gao, Yongnian; Lam, Yulin","[3 + 2] Cycloaddition Reactions in the Synthesis of Triazolo[4,5-b]pyridin-5-ones and Pyrrolo[3,4-b]pyridin-2-ones","Journal of Combinatorial Chemistry","2008","10","2","327","","10.1021/cc700183a","","","0.71073","MoKα","","0.074","0.0515","","","0.1288","0.1435","","","","","","1.064","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504330","14.6152","0.0005","8.5366","0.0003","17.6486","0.0007","90","","103.961","0.001","90","","2136.87","0.14","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","1-Benzyl-4-isopropyl-7-tosyl-3,4-dihydro-1H-pyrrolo[3,4-b]pyridin-2(6H)-one","","- C24 H26 N2 O3 S -","- C24 H26 N2 O3 S -","- C96 H104 N8 O12 S4 -","4","1","","Gao, Yongnian; Lam, Yulin","[3 + 2] Cycloaddition Reactions in the Synthesis of Triazolo[4,5-b]pyridin-5-ones and Pyrrolo[3,4-b]pyridin-2-ones","Journal of Combinatorial Chemistry","2008","10","2","327","","10.1021/cc700183a","","","0.71073","MoKα","","0.0498","0.0454","","","0.1208","0.1245","","","","","","1.053","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504331","8.2115","0.0007","24.22","0.002","10.234","0.0009","90","","109.503","0.002","90","","1918.6","0.3","295","2","295","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C19 H26 F3 N O2 -","- C19 H26 F3 N O2 -","- C76 H104 F12 N4 O8 -","4","1","","Mao, Shuli; Probst, Donald; Werner, Stefan; Chen, Jianzhong; Xie, Xiangqun; Brummond, Kay M.","Diverging Rh(I)-Catalyzed Carbocylization Strategy to Prepare a Library of Unique Cyclic Ethers","Journal of Combinatorial Chemistry","2008","10","2","235","","10.1021/cc7001843","","","0.71073","MoKα","","0.0932","0.0607","","","0.1692","0.183","","","","","","1.357","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504332","7.2833","0.0011","18.243","0.003","15.361","0.002","90","","100.865","0.003","90","","2004.4","0.5","294","2","294","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C25 H21 N O5 -","- C25 H21 N O5 -","- C100 H84 N4 O20 -","4","1","","Lai, Jiun-Ting; Shieh, Pei-Shan; Huang, Wei-Hao; Yang, Ding-Yah","Syntheses of Oxazabicycle Library via One-Pot Tandem Reactions","Journal of Combinatorial Chemistry","2008","10","3","381","","10.1021/cc8000025","","","0.71073","MoKα","","0.0652","0.0487","","","0.1468","0.1604","","","","","","1.413","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504333","11.0623","0.0007","14.4745","0.0009","14.5087","0.0009","90","","94.796","0.001","90","","2315","0.3","297","2","297","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C27 H26 N2 O5 -","- C27 H26 N2 O5 -","- C108 H104 N8 O20 -","4","1","","Lai, Jiun-Ting; Shieh, Pei-Shan; Huang, Wei-Hao; Yang, Ding-Yah","Syntheses of Oxazabicycle Library via One-Pot Tandem Reactions","Journal of Combinatorial Chemistry","2008","10","3","381","","10.1021/cc8000025","","x-ray","0.71073","MoKα","","0.0748","0.0567","","","0.1944","0.2156","","","","","","1.27","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1504334","10.2548","0.0005","17.3996","0.0013","21.2408","0.0012","90","","90","","90","","3790","0.4","298","2","298","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C17 H26 N4 O3 -","- C17 H26 N4 O3 -","- C136 H208 N32 O24 -","8","1","","Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid","Novel Multicomponent One-Pot Synthesis of Tetrahydro-1H-1,5-benzodiazepine-2-carboxamide Derivatives","Journal of Combinatorial Chemistry","2008","10","4","595","","10.1021/cc8000635","","","0.71073","MoKα","","0.1205","0.0837","","","0.1676","0.1842","","","","","","1.157","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504335","7.7322","0.0005","8.2825","0.0005","18.0011","0.0011","77.605","0.001","81.459","0.001","85.056","0.001","1111.71","0.12","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C25 H26 Cl2 N2 O2 -","- C25 H26 Cl2 N2 O2 -","- C50 H52 Cl4 N4 O4 -","2","1","","Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey","Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification","Journal of Combinatorial Chemistry","2008","10","5","721","","10.1021/cc800078h","","","0.71073","MoKα","","0.0543","0.051","","","0.131","0.1339","","","","","","1.04","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504336","5.2318","0.0006","8.6863","0.001","13.9249","0.0016","77.485","0.002","81.316","0.002","82.478","0.002","607.53","0.12","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C14 H23 N O2 -","- C14 H23 N O2 -","- C28 H46 N2 O4 -","2","1","","Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey","Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification","Journal of Combinatorial Chemistry","2008","10","5","721","","10.1021/cc800078h","","","0.71073","MoKα","","0.0601","0.0491","","","0.1157","0.1203","","","","","","0.979","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504337","19.3878","0.001","5.1046","0.0003","14.4014","0.0007","90","","109.734","0.001","90","","1341.56","0.12","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C18 H20 N2 O -","- C18 H20 N2 O -","- C72 H80 N8 O4 -","4","1","","Frankowski, Kevin J.; Neuenswander, Benjamin; Aubé, Jeffrey","Explorations ofStemonaAlkaloid-Inspired Analogues: Skeletal Modification and Functional Group Diversification","Journal of Combinatorial Chemistry","2008","10","5","721","","10.1021/cc800078h","","","0.71073","MoKα","","0.05","0.0448","","","0.1204","0.1242","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1504338","8.6512","0.0008","15.214","0.0019","17.0046","0.0016","90","","95.071","0.008","90","","2229.4","0.4","293","2","293","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C21 H26 F N3 O2 S -","- C21 H26 F N3 O2 S -","- C84 H104 F4 N12 O8 S4 -","4","1","","Shaabani, Ahmad; Maleki, Ali; Mofakham, Hamid; Khavasi, Hamid Reza","Novel Isocyanide-Based Three-Component One-Pot Synthesis of Cyanophenylamino-acetamide Derivatives","Journal of Combinatorial Chemistry","2008","10","6","883","","10.1021/cc800099r","","","0.71073","MoKα","","0.1169","0.0837","","","0.1896","0.198","","","","","","1.039","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1505007","10.0825","0.0007","18.239","0.003","13.8361","0.0012","90","","96.606","0.006","90","","2527.5","0.5","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C29 H34 B N3 O -","- C29 H34 B N3 O -","- C116 H136 B4 N12 O4 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.1184","0.0421","","","0.1045","0.1271","","","","","","0.985","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505008","12.7145","0.0017","15.8471","0.0017","15.7636","0.0015","90","","100.298","0.009","90","","3125","0.6","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C36 H39 B N4 O2 -","- C36 H39 B N4 O2 -","- C144 H156 B4 N16 O8 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.0701","0.0376","","","0.0959","0.1097","","","","","","1.019","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505009","16.63","0.002","13.9808","0.0015","12.999","0.003","90","","91.48","0.02","90","","3021.3","0.9","290","2","290","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C33 H40 B N3 O -","- C33 H40 B N3 O -","- C132 H160 B4 N12 O4 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.2422","0.0511","","","0.1019","0.148","","","","","","0.92","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505010","14.1478","0.0011","10.2584","0.0008","21.693","0.007","90","","103.87","0.01","90","","3056.6","1.1","290","2","290","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C33 H39 B N4 O2 -","- C33 H39 B N4 O2 -","- C132 H156 B4 N16 O8 -","4","1","","Soutullo, Morgan D.; Odom, Carl I.; Salter, E. Alan; Stenson, Alexandra C.; Sykora, Richard E.; Wierzbicki, Andrzej; Davis, James H.","Ultra-Easy Access to NH2-Functionalized TSILs, Their Potential as Highly Volume-Efficient Electrophile Scavengers, and Insights into the Electronics of Girard's Reagent T, A Venerable Chemical Work Horse","Journal of Combinatorial Chemistry","2007","9","4","571","","10.1021/cc060151j","","","0.71073","MoKα","","0.0923","0.0597","","","0.1672","0.1893","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505011","36.34","0.015","11.78","0.005","11.87","0.005","90","","102.714","0.005","90","","4957","4","298","2","298","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C28 H27 Cl N4 O3 -","- C28 H27 Cl N4 O3 -","- C224 H216 Cl8 N32 O24 -","8","1","","Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min","Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives","Journal of Combinatorial Chemistry","2007","9","6","1144","","10.1021/cc700124g","","","0.71073","MoKα","","0.1448","0.0738","","","0.1776","0.2164","","","","","","1.022","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505012","10.378","0.005","10.131","0.005","18.143","0.009","90","","97.406","0.008","90","","1891.6","1.6","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H20 Cl N3 O2 -","- C21 H20 Cl N3 O2 -","- C84 H80 Cl4 N12 O8 -","4","1","","Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min","Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives","Journal of Combinatorial Chemistry","2007","9","6","1144","","10.1021/cc700124g","","","0.71073","MoKα","","0.184","0.0644","","","0.1503","0.2226","","","","","","1.018","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505013","10.781","0.003","14.937","0.004","9.839","0.003","90","","106.27","0.005","90","","1521","0.7","298","2","298","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C18 H14 F N3 O2 -","- C18 H14 F N3 O2 -","- C72 H56 F4 N12 O8 -","4","1","","Tu, Shujiang; Li, Chunmei; Li, Guigen; Cao, Longji; Shao, Qingqing; Zhou, Dianxiang; Jiang, Bo; Zhou, Jianfeng; Xia, Min","Microwave-Assisted Combinatorial Synthesis of Polysubstituent Imidazo[1,2-a]quinoline, Pyrimido[1,2-a]quinoline and Quinolino[1,2-a]quinazoline Derivatives","Journal of Combinatorial Chemistry","2007","9","6","1144","","10.1021/cc700124g","","","0.71073","MoKα","","0.1168","0.0465","","","0.0845","0.1118","","","","","","1.005","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505676","4.945","0.001","10.887","0.002","18.475","0.004","90","","96.32","0.03","90","","988.6","0.3","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 N2 O4 -","- C10 H8 N2 O4 -","- C40 H32 N8 O16 -","4","1","","Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari","Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines","Journal of Combinatorial Chemistry","2006","8","3","344","","10.1021/cc050138j","","","0.71073","MoKα","","0.0885","0.0641","","","0.1878","0.1983","","","","","","1.178","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505677","5.888","0.0012","10.699","0.003","17.013","0.002","90","","90","","90","","1071.7","0.4","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C14 H12 N2 -","- C14 H12 N2 -","- C56 H48 N8 -","4","1","","Harju, Kirsi; Kylänlahti, Irene; Paananen, Timo; Polamo, Mika; Nielsen, John; Yli-Kauhaluoma, Jari","Solid-Phase Synthesis of Pyrazolopyridines from Polymer-Bound Alkyne and Azomethine Imines","Journal of Combinatorial Chemistry","2006","8","3","344","","10.1021/cc050138j","","","0.71073","MoKα","","0.0461","0.0363","","","0.0844","0.0874","","","","","","1.139","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505678","11.654","0.005","5.471","0.002","26.609","0.01","90","","102.416","0.006","90","","1656.9","1.1","208","2","208","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C21 H16 F N3 O2 -","- C21 H16 F N3 O2 -","- C84 H64 F4 N12 O8 -","4","1","","Nie, Aihua; Huang, Ziwei","Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives","Journal of Combinatorial Chemistry","2006","8","5","655","","10.1021/cc060085l","","","0.71073","MoKα","","0.0695","0.0505","","","0.1191","0.1279","","","","","","1.049","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505679","9.705","0.001","5.644","0.0006","15.603","0.0016","90","","98.293","0.002","90","","845.72","0.15","100","2","100","2","","","","","","","","5","P 1 n 1","P -2yac","7","","","","- C21 H16 F N3 O2 -","- C21 H16 F N3 O2 -","- C42 H32 F2 N6 O4 -","2","1","","Nie, Aihua; Huang, Ziwei","Microwave-Assisted Reaction of 2‘-Hydroxychalcones with Hydrazides to Synthesize Flavanone Hydrazone and 4,5-Dihydropyrazole Derivatives","Journal of Combinatorial Chemistry","2006","8","5","655","","10.1021/cc060085l","","","0.71073","MoKα","","0.0285","0.0284","","","0.0723","0.0723","","","","","","1.077","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506336","9.9752","0.0011","10.434","0.0012","11.2679","0.0013","90.172","0.003","109.741","0.002","109.322","0.002","1032.9","0.2","293","2","293","2","","","","","","","","4","P -1","-P 1","2","","4-(3-Butyl-2,5-diphenyl-3H-imidazol-4-yl)pyridine","","- C25 H26 N2 O -","- C25 H26 N2 O -","- C50 H52 N4 O2 -","2","1","","Li, Weiwei; Lam, Yulin","A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker","Journal of Combinatorial Chemistry","2005","7","5","644","","10.1021/cc049818x","","","0.71073","MoKα","","0.134","0.0782","","","0.2027","0.2329","","","","","","1.038","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506337","8.7569","0.0006","12.5075","0.0008","12.7422","0.0008","74.569","0.001","86.623","0.001","81.9","0.001","1331.55","0.15","273","2","273","2","","","","","","","","4","P -1","-P 1","2","","2-(4-Phenyl-5-(pyridin-4-yl)-1H-imidazol-1-yl)ethanol","","- C16 H15 N3 O -","- C16 H15 N3 O -","- C64 H60 N12 O4 -","4","2","","Li, Weiwei; Lam, Yulin","A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker","Journal of Combinatorial Chemistry","2005","7","5","644","","10.1021/cc049818x","","","0.71073","MoKα","","0.0745","0.0537","","","0.1368","0.1527","","","","","","1.041","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506338","8.8589","0.0009","9.5619","0.0009","11.5289","0.0011","111.301","0.002","90.111","0.002","115.935","0.002","803.03","0.14","223","2","223","2","","","","","","","","4","P -1","-P 1","2","","N-(2-oxo-1-phenyl-2-pyridin-4-yl-ethyl)benzamide","","- C20 H20 N2 O -","- C20 H16 N2 O2 -","- C40 H32 N4 O4 -","2","1","","Li, Weiwei; Lam, Yulin","A Facile Solid-Phase Synthesis of 1,2,4,5-Tetrasubstituted Imidazoles Using Sodium Benzenesulfinate as a Traceless Linker","Journal of Combinatorial Chemistry","2005","7","5","644","","10.1021/cc049818x","","","0.71073","MoKα","","0.0961","0.0572","","","0.1219","0.1366","","","","","","1.014","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506339","7.706","0.002","10.338","0.003","12.191","0.003","109.742","0.004","95.779","0.005","111.614","0.005","821.2","0.4","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C19 H16 N2 O2 S -","- C19 H16 N2 O2 S -","- C38 H32 N4 O4 S2 -","2","1","","Le Bas, Marie-Delphine H.; McKinley, Neola F.; Hogan, Anne-Marie L.; O'Shea, Donal F.","Imidazo[5,1-b]thiazol-3-ones/thiazin-4-ones: Synthesis and Reactivity Investigation for Library Generation","Journal of Combinatorial Chemistry","2005","7","4","503","","10.1021/cc050001t","","","0.71073","MoKα","","0.0737","0.0458","","","0.1135","0.1219","","","","","","0.982","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1506340","17.164","0.003","8.4372","0.0014","13.333","0.002","90","","99.752","0.004","90","","1902.9","0.5","223","2","223","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","7-Benzyl-1-heptyl-1,7-dihydro-purin-6-one","","- C19 H26 N4 O2 -","- C19 H26 N4 O2 -","- C76 H104 N16 O8 -","4","1","","Fu, Han; Lam, Yulin","Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines","Journal of Combinatorial Chemistry","2005","7","5","734","","10.1021/cc050058f","","","0.71073","MoKα","","0.0591","0.0465","","","0.1256","0.1345","","","","","","1.045","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506341","11.841","0.012","13.069","0.013","13.905","0.014","74.71","0.02","78.79","0.02","86.66","0.02","2036","4","298","2","273","2","","","","","","","","5","P -1","-P 1","2","","3-(1,7-dibutyl-6-oxo-1,6-dihydro-purin-9-yl)-propionic acid methyl ester salt","","- C17 H27 Br N4 O3 -","- C17 H27 Br N4 O3 -","- C68 H108 Br4 N16 O12 -","4","2","","Fu, Han; Lam, Yulin","Traceless Solid-Phase Synthesis of N1,N7-Disubstituted Purines","Journal of Combinatorial Chemistry","2005","7","5","734","","10.1021/cc050058f","","","0.71073","MoKα","","0.0962","0.0786","","","0.2523","0.2737","","","","","","1.095","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1506799","11.3899","0.0008","12.0714","0.0008","17.4959","0.0011","87.675","0.001","72.756","0.001","65.371","0.001","2078.9","0.2","298","2","298","2","","","","","","","","4","P -1","-P 1","2","","4,6-Diphenyl-3,4-dihydro-1H-pyrimidine-2-thione","","- C16 H14 N2 S -","- C16 H14 N2 S -","- C96 H84 N12 S6 -","6","3","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.1408","0.0464","","","0.0831","0.101","","","","","","0.74","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506800","12.7346","0.0017","6.0351","0.0008","16.4","0.002","90","","99.31","0.003","90","","1243.8","0.3","223","2","223","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","4-(4-Methoxyphenyl)-5,6-dimethyl-3,4-dihydro-1H-pyrimidine-2-thione","","- C13 H16 N2 O S -","- C13 H16 N2 O S -","- C52 H64 N8 O4 S4 -","4","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0698","0.055","","","0.1306","0.1393","","","","","","1.047","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506801","5.2746","0.0003","16.1821","0.0008","20.485","0.001","90","","90","","90","","1748.48","0.16","223","2","223","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","4-(4-Methoxyphenyl)-2,6-diphenylpyrimidine","","- C23 H18 N2 O -","- C23 H18 N2 O -","- C92 H72 N8 O4 -","4","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0576","0.0492","","","0.1266","0.1313","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1506802","8.11","0.0006","17.9243","0.0014","21.3183","0.0016","90","","90","","90","","3099","0.4","223","2","223","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","4-(4-Methoxyphenyl)-5,6-dimethyl-2-phenylpyrimidine","","- C14 H12 N4 O4 S -","- C14 H12 N4 O4 S -","- C112 H96 N32 O32 S8 -","8","1","","Kong, Kah-Hoe; Chen, Yu; Ma, Xiang; Chui, Wai Keung; Lam, Yulin","Traceless Solid-Phase Synthesis of Nitrogen-Containing Heterocycles and Their Biological Evaluations as Inhibitors of Neuronal Sodium Channels","Journal of Combinatorial Chemistry","2004","6","6","928","","10.1021/cc049910t","","","0.71073","MoKα","","0.0678","0.0499","","","0.1203","0.1284","","","","","","0.983","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1556079","11.5652","0.0019","4.8925","0.0008","13.332","0.002","90","","92.835","0.003","90","","753.4","0.2","90","2","90","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C14 H12 Br Cl N2 O4 -","- C14 H12 Br Cl N2 O4 -","- C28 H24 Br2 Cl2 N4 O8 -","2","1","","Robins, Lori I.; Fettinger, James C.; Tinti, Dino S.; Kurth, Mark J.","Selective nucleophilic chemistry in the synthesis of 5-carbamoyl-3-sulfanylmethylisoxazole-4-carboxylic acids.","Journal of combinatorial chemistry","2007","9","1","139","142","10.1021/cc0601074","","","0.71073","MoKα","","0.0682","0.0552","","","0.1437","0.1484","","","","","","1.048","","","","has coordinates","239709","2020-10-21","18:00:00",""