# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T10:27:53+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 volume = 7 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
"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",""