# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-03T05:53:53+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 = 6 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
"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",""