# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-01T05:17:16+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 = 445 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
"5000149","14.065","0.001","5.67","0.001","9.896","0.001","90","","90","","90","","789.19","","","","","","","","","","","","","4","P c a 21","P 2c -2ac","29","","","","- C6 H3 N3 O6 -","- C6 N3 O6 -","- C24 N12 O24 -","4","1","","Laerdahl, Jon K.; Fægri, Knut; Rømming, Christian; Swang, Ole; Midtgård, Tonje; Schöffel, Klaus","Substituent crowding in nitrobenzenes","Journal of Molecular Structure","1998","445","1-3","89","98","10.1016/s0022-2860(97)00415-8","","","","","","","","","","","","","","","","","","","","","has coordinates","175402","2020-10-21","18:00:00",""