# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-03-24T16:00:24+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 'Chemical & pharmaceutical bulletin') 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
"5000034","11.43","0.001","6.591","0.001","11.395","0.002","90","","95.68","0.01","90","","854.23","","","","","","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Kim, Y.; Machida, K.; Taga, T.; Osaki, K.","Structure redetermination and packing analysis of aspirin crystal","Chemical & pharmaceutical bulletin","1985","33","7","2641","2647","","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:29",""