# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-30T15:21:00+01:00
# Query:
# SELECT data.*
# FROM
#  data 
# WHERE
#  (status is null or status != 'retracted') and
#  (sg LIKE 'Xmc21' 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
"2105936","37.8883","","4.7233","","11.6835","","90","","90","","90","","2090.85","","293","","293","","","","","","","","","3","Xmc21","Xmc21","","","","","- C10 H14 O5 -","- C10 H14 O5 -","- C80 H112 O40 -","8","","DK5017","Jahangiri, Amita; Fleckhaus, Andre; Lidin, Sven; Strand, Daniel","Allotwinning in a molecular crystal: (1<i>R</i>,3<i>S</i>)-dimethyl 2-oxocyclohexane-1,3-dicarboxylate","Acta Crystallographica Section B","2013","69","5","509","513","10.1107/S2052519213018605","","","0.7107","MoKα","","0.0873","0.0497","","","0.1229","0.145","","","","","","1.34","","","","has coordinates","176768","2020-10-21","18:00:00",""