# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T19:28:08+01:00
# 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 Molecular Structure') AND volume = 1102 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
"1529502","9.7454","0.0004","11.2225","0.0004","13.9171","0.0005","90","","90","","90","","1522.08","0.1","296","2","296","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","1,3-diethyl-7-hydroxy-5,5,7-trimethyl-2-thioxo-1,2,3,5,6,7-hexahydro -4H-pyrano[2,3-d]pyrimidin-4-one","","","- C14 H22 N2 O3 S -","- C14 H22 N2 O3 S -","- C56 H88 N8 O12 S4 -","4","1","","N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; Yu.V. Goryunov; V.V. Atuchin","New class of bicyclic compounds derived from thiobarbituric acid with representative compound 1,3-diethyl-7-hydroxy-5,5,7-trimethyl- 2-thioxo-1,2,3,5,6,7-hexahydro-4H-pyrano[2,3-d]pyrimidin-4-one. Preparation, crystal structure, mass spectrometry and IR spectroscopy.","Journal of Molecular Structure","2015","1102","0","101","107","10.1016/j.molstruc.2015.08.046","","","0.71073","MoKα","","0.0534","0.0417","","","0.0899","0.095","","","","","","1.034","","","","has coordinates,has Fobs","153900","2020-10-21","18:00:00",""