# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-29T03:51:53+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 'Structural Chemistry') AND volume = 21 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
"1513069","8.5794","0.0012","10.8027","0.0017","12.536","0.002","95.011","0.005","94.664","0.005","99.359","0.005","1136.6","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C25 H23 N2 O6 -","- C25 H23 N2 O6 -","- C50 H46 N4 O12 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","Organic mandelates as promising materials with non-linear optical application","Structural Chemistry","2010","21","","989","","10.1007/s11224-010-9635-5","","","0.71073","MoKα","","0.0778","0.0448","","","0.1114","0.1265","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513070","5.332","0.004","25.455","0.019","11.078","0.007","90","","99.73","0.02","90","","1481.9","1.8","198","2","198","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H16 N2 O4 -","- C17 H16 N2 O4 -","- C68 H64 N8 O16 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Organic mandelates as promising materials with non-linear optical application","Structural Chemistry","2010","21","","989","","10.1007/s11224-010-9635-5","","","0.71073","MoKα","","0.3254","0.0978","","","0.202","0.2865","","","","","","0.762","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513071","14.323","0.002","14.323","0.002","26.922","0.006","90","","90","","90","","5523","1.6","199","2","199","2","","","","","","","","4","P 43","P 4cw","78","","","","- C14 H14 N2 O4 -","- C14 H14 N2 O4 -","- C224 H224 N32 O64 -","16","4","","Ivanova, Bojidarka; Spiteller, Michael","Organic mandelates as promising materials with non-linear optical application","Structural Chemistry","2010","21","","989","","10.1007/s11224-010-9635-5","","","0.71073","MoKα","","0.1563","0.1047","","","0.2312","0.2605","","","","","","1.373","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513072","19.2","0.014","5.508","0.003","17.452","0.014","90","","119.94","0.04","90","","1599","2","198","2","198","2","","","","","","","","4","C 1 2 1","C 2y","5","","","","- C17 H20 N2 O4.5 -","- C17 H20 N2 O4.5 -","- C68 H80 N8 O18 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Organic mandelates as promising materials with non-linear optical application","Structural Chemistry","2010","21","","989","","10.1007/s11224-010-9635-5","","","0.71073","MoKα","","0.1213","0.0763","","","0.1656","0.1866","","","","","","0.903","","","","has coordinates","194547","2020-10-21","18:00:00",""