# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-08T05:37:18+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 Chemical Information and Modeling') AND volume = 38 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
"5000124","7.571","0.001","9.31","0.001","11.687","0.001","94.58","0.01","101.49","0.01","90.15","0.01","804.54","","","","","","","","","","","","","5","P -1","-P 1","2","","","","- C14 H22 Cl2 N O1.5 -","- C17 H31 Cl2 N O3 -","- C34 H62 Cl4 N2 O6 -","2","1","","Froimowitz, M.; George, C.","Conformational Analysis and a Crystal Structure of Bupropion, an Antidepressant with Dopamine Reuptake Blocking Activity","Journal of Chemical Information and Modeling","1998","38","3","506","510","10.1021/ci980401m","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""