# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-10T07:50:05+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 = 1068 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
"1529238","8.8268","0.0019","12.044","0.003","8.0998","0.0019","90","","105.388","0.006","90","","830.2","0.3","296","2","296","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","5-(isopropylidene)-2-thiobarbituric acid","","- C7 H8 N2 O2 S -","- C7 H8 N2 O2 S -","- C28 H32 N8 O8 S4 -","4","1","","Golovnev, Nikolay; Molokeev, Maxim; Tarasova, Ludmila; Atuchin, Victor; Vladimirova, Natalya","The 5-(isopropylidene)-2-thiobarbituric acid: Preparation, crystal structure, thermal stability and IR-characterization","Journal of Molecular Structure","2014","1068","0","216","","10.1016/j.molstruc.2014.04.024","","","0.71073","MoKα","","0.1611","0.0865","","","0.1821","0.2237","","","","","","1.041","","","","has coordinates,has Fobs","301777","2025-08-18","15:08:08",""