# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-01T09:17:45+02:00
# 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 'ACS medicinal chemistry letters') AND volume = 6 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
"4513655","7.2656","0.0008","15.5315","0.0016","12.533","0.0013","90","","93.44","0.002","90","","1411.7","0.3","120","2","120","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C14 H17 Cl N2 O3 -","- C14 H17 Cl N2 O3 -","- C56 H68 Cl4 N8 O12 -","4","1","","Egorova, Ksenia S.; Seitkalieva, Marina M.; Posvyatenko, Alexandra V.; Khrustalev, Victor N.; Ananikov, Valentine P.","Cytotoxic Activity of Salicylic Acid-Containing Drug Models with Ionic and Covalent Binding.","ACS medicinal chemistry letters","2015","6","11","1099","1104","10.1021/acsmedchemlett.5b00258","","","0.71073","MoKα","","0.1072","0.0752","","","0.1579","0.1696","","","","","","1.006","","","","has coordinates","170776","2020-10-21","18:00:00",""
"4513658","7.2066","0.0003","9.6275","0.0003","9.8499","0.0003","84.696","0.002","74.028","0.002","81.042","0.002","648.12","0.04","150","2","150","2","","","","","","","","3","P -1","-P 1","2","","","","- C15 H20 O3 -","- C15 H20 O3 -","- C30 H40 O6 -","2","1","","Handore, Kishor L.; Jadhav, Prakash D.; Hazra, Bibhabasu; Basu, Anirban; Reddy, D. Srinivasa","Total Syntheses and Biological Evaluation of (±)-Botryosphaeridione, (±)-Pleodendione, 4-epi-Periconianone B, and Analogues.","ACS medicinal chemistry letters","2015","6","11","1117","1121","10.1021/acsmedchemlett.5b00241","","","0.71073","MoKα","","0.0659","0.0513","","","0.1021","0.1081","","","","","","1.071","","","","has coordinates","176428","2020-10-21","18:00:00",""