# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-29T07:11:35+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 'Organic Letters') 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
"1564830","10.0842","0.0011","11.2186","0.0011","14.1105","0.001","72.875","0.008","83.039","0.007","63.876","0.01","1369.6","0.3","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C27 H38 B F4 N O -","- C27 H38 B F4 N O -","- C54 H76 B2 F8 N2 O2 -","2","1","","Klementyeva, S.V.; Abramov, P.A.; Somov, N.V.; Dudkina, Yu.B.; Budnikova, Yu.H.; sky, A.I.","Deprotonation of Benzoxazolium Salt: Trapping of a Radical-Cation Intermediate","Organic Letters","2019","21","4","946","950","10.1021/acs.orglett.8b03928","","","0.71073","MoKα","","0.1868","0.0622","","","0.1261","0.1482","","","","","","0.749","","","","has coordinates","269585","2021-10-05","10:48:00",""
"1564831","10.7071","0.0007","19.5593","0.0008","22.8987","0.0011","90","","90","","90","","4795.5","0.4","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C54 H74 N2 O2 -","- C54 H74 N2 O2 -","- C216 H296 N8 O8 -","4","1","","Klementyeva, S.V.; Abramov, P.A.; Somov, N.V.; Dudkina, Yu.B.; Budnikova, Yu.H.; sky, A.I.","Deprotonation of Benzoxazolium Salt: Trapping of a Radical-Cation Intermediate","Organic Letters","2019","21","4","946","950","10.1021/acs.orglett.8b03928","","","0.71073","MoKα","","0.1822","0.0711","","","0.1016","0.1332","","","","","","0.803","","","","has coordinates","269586","2021-10-05","10:48:21",""