# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T04:09:26+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 research in toxicology') AND volume = 18 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
"1506791","6.1214","0.0007","10.1587","0.0012","31.893","0.004","90","","90","","90","","1983.3","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1S trans, αR)","","","- C21 H19 Cl2 N O3 -","- C21 H19 Cl2 N O3 -","- C84 H76 Cl8 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0284","0.0254","","","0.0626","0.065","","","","","","1.069","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506792","6.1223","0.0008","10.1589","0.0013","31.893","0.004","90","","90","","90","","1983.6","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","(1R trans, αS)","","","- C21 H19 Cl2 N O3 -","- C21 H19 Cl2 N O3 -","- C84 H76 Cl8 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0303","0.027","","","0.0674","0.0701","","","","","","1.037","","","","has coordinates","301775","2025-08-18","14:03:03",""
"1506793","5.7009","0.0006","18.4406","0.0019","19.793","0.002","90","","90","","90","","2080.8","0.4","90","2","90","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","2R,αS","","","- C24 H22 Cl N O3 -","- C24 H22 Cl N O3 -","- C96 H88 Cl4 N4 O12 -","4","1","","Huang, Huazhang; Stok, Jeanette E.; Stoutamire, Donald W.; Gee, Shirley J.; Hammock, Bruce D.","Development of optically pure pyrethroid-like fluorescent substrates for carboxylesterases.","Chemical research in toxicology","2005","18","3","516","527","10.1021/tx049773h","","","0.71073","MoKα","","0.0432","0.0322","","","0.0725","0.0802","","","","","","1.064","","","","has coordinates","301775","2025-08-18","14:03:03",""