# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-01T05:25:38+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 = 112 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
"5000159","8.181","0.005","11.833","0.007","10.392","0.006","90","","100.17","0.05","90","","990.2","","","","","","","","","","","","","3","P 1 21/n 1","-P 2yn","14","","","","- C8 H18 O2 -","- C8 H18 O2 -","- C32 H72 O8 -","4","1","","Slovokhotov, Yu. L.; Timofeeva, T. V.; Antipin, M. Yu.; Struchkov, Yu. T.","Distortion of ""tetrahedral"" C~3v~ coordination in the R~3~C‒O moiety due to the reduction of molecular symmetry: X-ray, conformational, and quantum-chemical study","Journal of Molecular Structure","1984","112","1-2","127","140","10.1016/0022-2860(84)80250-1","","","","","","","","","","","","","","","","","","","","","has coordinates","176428","2020-10-21","18:00:00",""