# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-01-24T01:45:29+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 = 737 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
"1100985","13.984","0.001","12.722","0.002","8.024","0.002","90","","90","","90","","1427.5","0.4","299.2","","299.2","","","","","","","","","3","P n m a","-P 2ac 2n","62","","","","- C20 H12.4 O2 -","- C20 H8 O2 -","- C80 H32 O8 -","4","0.5","","Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao","Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties","Journal of Molecular Structure","2005","737","1","1","6","10.1016/j.molstruc.2004.10.002","","","0.71073","MoKα","","0.1592","0.0882","","","0.2639","0.2835","","","","","","1.075","","","","has coordinates","277831","2022-09-14","14:31:32",""
"1101055","27.864","0.003","27.864","0.003","12.983","0.0017","90","","90","","120","","8729.7","1.6","293","2","293","2","","","","","","","","3","P 63","P 6c","173","triptycenehydroquinone (TPHQ)","","","- C20 H14 O2 -","- C20 H14 O2 -","- C480 H336 O48 -","24","4","","Yamamura, Kimiaki; Kawashima Taiga; Eda, Kazuo; Tajima, Fukue; Hashimoto, Masao","Solid solution of triptycenequinone and triptycenehydroquinone as a non-stoichiometric quinhydrone. Bathochromic changes in color caused by local intermolecular interaction between p-benzoquinone and hydroquinone moieties","Journal of Molecular Structure","2005","737","1","1","6","10.1016/j.molstruc.2004.10.002","","","0.71073","MoKα","","0.2565","0.1194","","","0.2649","0.3423","","","","","","1.057","","","","has coordinates","176428","2020-10-21","18:00:00",""