# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T21:12:15+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 'Journal of Molecular Structure') AND volume = 1004 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
"1513063","9.8714","0.0007","15.9402","0.0011","18.5446","0.0013","90","","90","","90","","2918","0.4","300","2","300","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C36 H39 N O -","- C37 H37 N O -","- C148 H148 N4 O4 -","4","1","","Ivanova, Bojidarka; Spiteller, Michael","Conformation, optical properties, and absolute configuration of 2',3'-Isopropylideneadenosines: theoretical vs. experimental study","Journal of Molecular Structure","2011","1004","","303","","10.1016/j.molstruc.2011.08.027","","","0.71073","MoKα","","0.0563","0.0469","","","0.1245","0.1313","","","","","","1.039","","","","has coordinates","176729","2020-10-21","18:00:00",""