# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-05T00:16:39+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 'Journal of medicinal chemistry') AND volume = 59 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
"1542365","5.7185","0.0004","11.8378","0.0011","13.7061","0.0014","79.111","0.004","86.121","0.004","80.29","0.003","897.45","0.14","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H17 F O3 S -","- C22 H17 F O3 S -","- C44 H34 F2 O6 S2 -","2","1","","Xiong, Rui; Patel, Hitisha K.; Gutgesell, Lauren M.; Zhao, Jiong; Delgado-Rivera, Loruhama; Pham, Thao N. D.; Zhao, Huiping; Carlson, Kathryn; Martin, Teresa; Katzenellenbogen, John A.; Moore, Terry W.; Tonetti, Debra A.; Thatcher, Gregory R. J.","Selective Human Estrogen Receptor Partial Agonists (ShERPAs) for Tamoxifen-Resistant Breast Cancer.","Journal of medicinal chemistry","2016","59","1","219","237","10.1021/acs.jmedchem.5b01276","","","0.71073","MoKα","","0.0339","0.0298","","","0.0756","0.0789","","","","","","1.042","","","","has coordinates","175692","2020-10-21","18:00:00",""
"1542627","9.569","0.002","9.937","0.003","12.748","0.003","89.068","0.005","68.454","0.005","84.701","0.005","1122.4","0.5","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H25 N2 O6 Re -","- C23 H25 N2 O6 Re -","- C46 H50 N4 O12 Re2 -","2","1","","Li, Dan; Chen, Yuanyuan; Wang, Xia; Deuther-Conrad, Winnie; Chen, Xin; Jia, Bing; Dong, Chengyan; Steinbach, Jörg; Brust, Peter; Liu, Boli; Jia, Hongmei","(99m)Tc-Cyclopentadienyl Tricarbonyl Chelate-Labeled Compounds as Selective Sigma-2 Receptor Ligands for Tumor Imaging.","Journal of medicinal chemistry","2016","59","3","934","946","10.1021/acs.jmedchem.5b01378","","","0.71073","MoKα","","0.0364","0.0311","","","0.0719","0.0748","","","","","","1.059","","","","has coordinates","177212","2020-10-21","18:00:00",""
"1553250","30.024","0.006","7.0591","0.0014","13.29","0.003","90","","101.32","0.03","90","","2761.9","1","293","2","293","2","","","","","","","","6","C 1 2 1","C 2y","5","","","","- C23 H31 F N3 O10 P -","- C23 H29 F N3 O10 P -","- C92 H116 F4 N12 O40 P4 -","4","1","","Peng, Youmei; Yu, Wenquan; Li, Ertong; Kang, Jinfeng; Wang, Yafeng; Yang, Qinghua; Liu, Bingjie; Zhang, Jingmin; Li, Longyu; Wu, Jie; Jiang, Jinhua; Wang, Qingduan; Chang, Junbiao","Discovery of an Orally Active and Liver-Targeted Prodrug of 5-Fluoro-2'-Deoxyuridine for the Treatment of Hepatocellular Carcinoma.","Journal of medicinal chemistry","2016","59","8","3661","3670","10.1021/acs.jmedchem.5b01807","","","0.71073","MoKα","","0.1461","0.1289","","","0.3587","0.3814","","","","","","1.363","","","","has coordinates","234007","2020-10-21","18:00:00",""
"1553251","13.571","0.0009","17.6203","0.0011","21.2057","0.0013","90","","90","","90","","5070.8","0.6","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41.5 H70 N7 O13 -","- C41.5 H70 N7 O13 -","- C166 H280 N28 O52 -","4","1","","Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K.","Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds.","Journal of medicinal chemistry","2016","59","11","5368","5376","10.1021/acs.jmedchem.6b00222","","","1.54178","CuKα","","0.0684","0.0629","","","0.1803","0.187","","","","","","1.052","","","","has coordinates","234008","2020-10-21","18:00:00",""
"1553252","13.1244","0.001","13.601","0.0009","48.964","0.003","90","","90","","90","","8740.3","1","147","2","147","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C41 H63 N7 O9 -","- C41 H63 N7 O9 -","- C328 H504 N56 O72 -","8","2","","Hickey, Jennifer L.; Zaretsky, Serge; St Denis, Megan A.; Kumar Chakka, Sai; Morshed, M. Monzur; Scully, Conor C. G.; Roughton, Andrew L.; Yudin, Andrei K.","Passive Membrane Permeability of Macrocycles Can Be Controlled by Exocyclic Amide Bonds.","Journal of medicinal chemistry","2016","59","11","5368","5376","10.1021/acs.jmedchem.6b00222","","","1.54178","CuKα","","0.0352","0.0334","","","0.0854","0.0869","","","","","","1.024","","","","has coordinates","234009","2020-10-21","18:00:00",""