# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-10-01T09:16:59+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 = 5 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
"4510040","10.5477","0.0009","14.464","0.002","14.486","0.002","62.635","0.015","70.78","0.01","86.674","0.009","1841.8","0.5","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C19.5 H16.5 Cl1.5 N2 O4 -","- C19.5 H16.5 Cl1.5 N2 O4 -","- C78 H66 Cl6 N8 O16 -","4","2","","Konreddy, Ananda Kumar; Toyama, Massaki; Ito, Wataru; Bal, Chandralata; Baba, Masanori; Sharon, Ashoke","Synthesis and Anti-HCV Activity of 4-Hydroxyamino α-Pyranone Carboxamide Analogues.","ACS medicinal chemistry letters","2014","5","3","259","263","10.1021/ml400432f","","","0.71073","MoKα","","0.1015","0.0604","","","0.1502","0.1897","","","","","","1.03","","","","has coordinates","179647","2020-10-21","18:00:00",""
"4511662","15.5024","0.0016","6.2258","0.0008","20.953","0.002","90","","101.598","0.005","90","","1981","0.4","150","","150","","","","","","","","Synthesized by the authors. See text","4","P 1 21 1","P 2yb","4","","","","- C42 H45 N O13 -","- C42 H45 N O13 -","- C84 H90 N2 O26 -","2","1","","Calosso, Mickael; Tambutet, Guillaume; Charpentier, Daniel; St-Pierre, Gabrielle; Vaillancourt, Marc; Bencheqroun, Mohammed; Gratton, Jean-Philippe; Prévost, Michel; Guindon, Yvan","Acyclic tethers mimicking subunits of polysaccharide ligands: selectin antagonists.","ACS medicinal chemistry letters","2014","5","9","1054","1059","10.1021/ml500266x","","","1.54178","CuKα","","0.1133","0.0774","","","0.1808","0.2021","","","","","","1.141","","","","has coordinates,has disorder","179663","2020-10-21","18:00:00",""
"4511858","20.3663","0.0009","6.5008","0.0003","18.3376","0.0008","90","","104.897","0.002","90","","2346.25","0.18","120","","120","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C30 H22 Cl N O5 -","- C30 H22 Cl N O5 -","- C120 H88 Cl4 N4 O20 -","4","1","","Li, Bingbing X.; Xie, Fuchun; Fan, Qiuhua; Barnhart, Kerry M.; Moore, Curtis E.; Rheingold, Arnold L.; Xiao, Xiangshu","Novel Type of Prodrug Activation through a Long-Range O,N-Acyl Transfer: A Case of Water-Soluble CREB Inhibitor.","ACS medicinal chemistry letters","2014","5","10","1104","1109","10.1021/ml500330n","","x-ray","1.54178","CuKα","","0.0354","0.0303","","","0.0754","0.0787","","","","","","1.036","","","","has coordinates","179665","2020-10-21","18:00:00",""