# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-08T07:31:09+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 'Analytical chemistry') AND volume = 88 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
"1540732","6.1843","0.0015","7.4512","0.0013","11.96","0.002","95.69","0.015","95.67","0.018","100.847","0.018","534.7","0.19","295","2","295","2","","","","","","","","3","P -1","-P 1","2","","","","- C30 H22 N2 -","- C30 H22 N2 -","- C30 H22 N2 -","1","0.5","","Wu, Jia-Ying; Yu, Cheng-Han; Wen, Jung-Jung; Chang, Chiou-Ling; Leung, Man-Kit","Pyrrolo-[3,2-b]pyrroles for Photochromic Analysis of Halocarbons.","Analytical chemistry","2016","88","2","1195","1201","10.1021/acs.analchem.5b03374","","","1.54178","CuKα","","0.1229","0.0798","","","0.2003","0.234","","","","","","1.082","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540733","14.2789","0.0013","8.5519","0.001","36.498","0.003","90","","90.697","0.01","90","","4456.5","0.8","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C61 H48 N4 -","- C61 H48 N4 -","- C244 H192 N16 -","4","1","","Wu, Jia-Ying; Yu, Cheng-Han; Wen, Jung-Jung; Chang, Chiou-Ling; Leung, Man-Kit","Pyrrolo-[3,2-b]pyrroles for Photochromic Analysis of Halocarbons.","Analytical chemistry","2016","88","2","1195","1201","10.1021/acs.analchem.5b03374","","","0.71073","MoKα","","0.2733","0.0951","","","0.1523","0.2248","","","","","","0.968","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1540734","10.5757","0.0018","13.339","0.002","15.978","0.003","97.35","0.014","106.509","0.015","107.809","0.016","1999.7","0.7","200","2","200","2","","","","","","","","3","P -1","-P 1","2","","","","- C54 H40 N4 -","- C54 H40 N4 -","- C108 H80 N8 -","2","1","","Wu, Jia-Ying; Yu, Cheng-Han; Wen, Jung-Jung; Chang, Chiou-Ling; Leung, Man-Kit","Pyrrolo-[3,2-b]pyrroles for Photochromic Analysis of Halocarbons.","Analytical chemistry","2016","88","2","1195","1201","10.1021/acs.analchem.5b03374","","","1.54178","CuKα","","0.2052","0.0844","","","0.2282","0.3529","","","","","","0.908","","","","has coordinates","301779","2025-08-18","16:06:43",""
"1552956","8.7445","0.0016","8.7445","0.0016","10.935","0.002","90","","90","","120","","724.1","0.2","150","2","150","2","","","","","","","","4","P 31 2 1","P 31 2""","152","Iron gallate hydrate","Iron gallate tri-hydrate","","- C7 H9.37 Fe O8.18 -","- C7 H3 Fe O8.173 -","- C21 H9 Fe3 O24.519 -","3","0.5","","Ponce, Aldo; Brostoff, Lynn B.; Gibbons, Sarah K.; Zavalij, Peter; Viragh, Carol; Hooper, Joseph; Alnemrat, Sufian; Gaskell, Karen J.; Eichhorn, Bryan","Elucidation of the Fe(III) Gallate Structure in Historical Iron Gall Ink.","Analytical chemistry","2016","88","10","5152","5158","10.1021/acs.analchem.6b00088","","","0.71073","MoKα","","0.043","0.0341","","","0.0587","0.0621","","","","","","1","","","","has coordinates,has disorder","231207","2020-10-21","18:00:00",""