# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-09T19:19:35+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 & Engineering Data') AND volume = 60 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
"1520670","19.7826","0.0011","11.0872","0.0005","30.0405","0.0017","90","","95.85","0.006","90","","6554.6","0.6","151","0.1","151","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C44 H28 O14 -","- C44 H28 O14 -","- C352 H224 O112 -","8","2","","Cheuk, Dominic; Khamar, Dikshitkumar; McArdle, Patrick; Rasmuson, Åke C.","Solid Forms, Crystal Habits, and Solubility of Danthron","Journal of Chemical & Engineering Data","2015","60","7","2110","","10.1021/acs.jced.5b00192","","","0.71073","mokα","","0.1534","0.0858","","","0.2588","0.3247","","","","","","1.037","","","","has coordinates","301777","2025-08-18","15:08:07",""