# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-13T21:13:56+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 Medicinal Chemistry') AND volume = 44 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
"1507499","21.335","0.0006","9.315","0.0002","14.491","0.0004","90","0.0017","102.995","0.0019","90","0.003","2806.12","0.13","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H13 Br Cl N3 S -","- C12 H13 Br Cl N3 S -","- C96 H104 Br8 Cl8 N24 S8 -","8","2","","Schröder, Jörg; Henke, Andreas; Wenzel, Herbert; Brandstetter, Hans; Stammler, Hans G.; Stammler, Anja; Pfeiffer, Wolf D.; Tschesche, Harald","Structure-Based Design and Synthesis of Potent Matrix Metalloproteinase Inhibitors Derived from a 6H-1,3,4-Thiadiazine Scaffold","Journal of Medicinal Chemistry","2001","44","20","3231","","10.1021/jm010887p","","","0.71073","MoKα","","0.0699","0.0456","","","0.0813","0.0881","","","","","","1.037","","","","has coordinates","176729","2020-10-21","18:00:00",""