# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-26T16:42:35+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 = 58 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
"1518628","5.9315","0.0003","12.1005","0.0005","19.7","0.0008","90","","103.067","0.001","90","","1377.34","0.11","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido-(N,N-dimethyl(4-fluoro)benzylamine- κN,κC)(dimethylsulfoxide-κS)platinum(II)","","- C11 H17 Cl F N O Pt S -","- C11 H17 Cl F N O Pt S -","- C44 H68 Cl4 F4 N4 O4 Pt4 S4 -","4","1","","Zamora, Ana; Pérez, Sergio A; Rodríguez, Venancio; Janiak, Christoph; Yellol, Gorakh S.; Ruiz, José","Dual Antitumor and Antiangiogenic Activity of Organoplatinum(II) Complexes.","Journal of medicinal chemistry","2015","58","3","1320","1336","10.1021/jm501662b","","","0.71073","MoKα","","0.0236","0.0217","","","0.0526","0.0533","","","","","","1.126","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1518629","17.3951","0.0008","14.9557","0.0007","11.9109","0.0005","90","","98.576","0.002","90","","3064","0.2","100","2","100","2","","","","","","","","8","P 1 21/c 1","-P 2ybc","14","","Chlorido-(N,N-dimethyl(4-methoxy)benzylamine- κN,κC)-tris(4-trifluoromethylphenyl)phosphane-platinum(II)","","- C31 H26 Cl F9 N O P Pt -","- C31 H26 Cl F9 N O P Pt -","- C124 H104 Cl4 F36 N4 O4 P4 Pt4 -","4","1","","Zamora, Ana; Pérez, Sergio A; Rodríguez, Venancio; Janiak, Christoph; Yellol, Gorakh S.; Ruiz, José","Dual Antitumor and Antiangiogenic Activity of Organoplatinum(II) Complexes.","Journal of medicinal chemistry","2015","58","3","1320","1336","10.1021/jm501662b","","","0.71073","MoKα","","0.0206","0.0185","","","0.0409","0.0418","","","","","","1.084","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1519611","7.3545","0.001","7.3545","0.001","27.835","0.006","90","","90","","90","","1505.6","0.4","293","2","293","2","","","","","","","","5","P 43","P 4cw","78","","","","- C12 H15 F N6 O4 -","- C12 H15 F N6 O4 -","- C48 H60 F4 N24 O16 -","4","1","","Yang, Qinghua; Kang, Jinfeng; Zheng, Liyun; Wang, Xue-Jun; Wan, Na; Wu, Jie; Qiao, Yan; Niu, Pengfei; Wang, Sheng-Qi; Peng, Youmei; Wang, Qingduan; Yu, Wenquan; Chang, Junbiao","Synthesis and biological evaluation of 4-substituted fluoronucleoside analogs for the treatment of hepatitis B virus infection.","Journal of medicinal chemistry","2015","58","9","3693","3703","10.1021/jm5012963","","","0.71073","MoKα","","0.0498","0.045","","","0.1359","0.1465","","","","","","0.513","","","","has coordinates","138258","2020-10-21","18:00:00",""
"1520062","9.2489","0.0003","12.1579","0.0004","18.0824","0.0006","82.455","0.002","82.843","0.002","81.221","0.002","1980.72","0.11","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C40 H23 F12 N14 O0.5 P2 Ru -","- C40 H23 F12 N14 O0.5 P2 Ru -","- C80 H46 F24 N28 O P4 Ru2 -","2","1","","Cloonan, Suzanne M.; Elmes, Robert B. P.; Erby, MariaLuisa; Bright, Sandra A.; Poynton, Fergus E.; Nolan, Derek E.; Quinn, Susan J.; Gunnlaugsson, Thorfinnur; Williams, D. Clive","Detailed Biological Profiling of a Photoactivated and Apoptosis Inducing pdppz Ruthenium(II) Polypyridyl Complex in Cancer Cells.","Journal of medicinal chemistry","2015","58","11","4494","4505","10.1021/acs.jmedchem.5b00451","","","1.54178","CuKα","","0.0483","0.0451","","","0.116","0.1185","","","","","","1.049","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1520217","11.4867","0.0005","12.742","0.0005","20.9942","0.0009","90","","90","","90","","3072.8","0.2","100","","100","","","","","","","","Synthesized by the authors. See text","4","P 21 21 21","P 2ac 2ab","19","","","","- C33 H38 N4 O6 -","- C33 H38 N4 O6 -","- C132 H152 N16 O24 -","4","1","","Dufour-Gallant, Julien; Chatenet, David; Lubell, William D.","De Novo Conception of Small Molecule Modulators Based on Endogenous Peptide Ligands: Pyrrolodiazepin-2-one γ-Turn Mimics That Differentially Modulate Urotensin II Receptor-Mediated Vasoconstriction ex Vivo.","Journal of medicinal chemistry","2015","58","11","4624","4637","10.1021/acs.jmedchem.5b00162","","","1.54178","CuKα","","0.0936","0.0876","","","0.2551","0.2597","","","","","","1.181","","","","has coordinates,has disorder","176428","2020-10-21","18:00:00",""
"1529317","8.499","","8.394","","11.73","","90","","104.19","","90","","811.292","","298","2","298","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C16 H14 I N5 -","- C16 H14 I N5 -","- C32 H28 I2 N10 -","2","1","","Scheuermann, Thomas H.; Stroud, Daniel; Sleet, Christopher E.; Bayeh, Liela; Shokri, Cameron; Wang, Hanzhi; Caldwell, Charles G.; Longgood, Jamie; MacMillan, John B.; Bruick, Richard K.; Gardner, Kevin H.; Tambar, Uttam K.","Isoform-Selective and Stereoselective Inhibition of Hypoxia Inducible Factor-2.","Journal of medicinal chemistry","2015","58","15","5930","5941","10.1021/acs.jmedchem.5b00529","","","1.5418","CuKα","","0.0654","0.0613","","","0.1525","0.164","","","","","","1.217","","","","has coordinates","154669","2020-10-21","18:00:00",""
"1529429","8.511","0.004","11.945","0.006","14.173","0.007","90","","90","","90","","1440.9","1.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C15 H17 F3 O3 -","- C15 H17 F3 O3 -","- C60 H68 F12 O12 -","4","1","","Yang, Zhong-Jin; Ge, Wei-Zhi; Li, Qiu-Ying; Lu, Yaxin; Gong, Jian-Miao; Kuang, Bei-Jia; Xi, Xiaonan; Wu, Haiting; Zhang, Quan; Chen, Yue","Syntheses and Biological Evaluation of Costunolide, Parthenolide, and Their Fluorinated Analogues.","Journal of medicinal chemistry","2015","58","17","7007","7020","10.1021/acs.jmedchem.5b00915","","","1.54187","CuKα","","0.0268","0.0254","","","0.0657","0.0667","","","","","","1.04","","","","has coordinates","160541","2020-10-21","18:00:00",""
"1529467","15.885","0.004","7.4464","0.0016","25.627","0.006","90","","104.762","0.004","90","","2931.3","1.2","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C18 H15 N3 -","- C18 H15 N3 -","- C144 H120 N24 -","8","2","","Fu, Hualong; Cui, Mengchao; Zhao, Liu; Tu, Peiyu; Zhou, Kaixiang; Dai, Jiapei; Liu, Boli","Highly Sensitive Near-Infrared Fluorophores for in Vivo Detection of Amyloid-β Plaques in Alzheimer's Disease.","Journal of medicinal chemistry","2015","58","17","6972","6983","10.1021/acs.jmedchem.5b00861","","","0.71073","MoKα","","0.0948","0.0563","","","0.1252","0.1386","","","","","","1","","","","has coordinates","198632","2020-10-21","18:00:00",""
"1529468","17.171","0.005","7.611","0.002","25.394","0.008","90","","95.737","0.004","90","","3302.1","1.7","153","2","153","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C20 H17 N3 -","- C20 H17 N3 -","- C160 H136 N24 -","8","2","","Fu, Hualong; Cui, Mengchao; Zhao, Liu; Tu, Peiyu; Zhou, Kaixiang; Dai, Jiapei; Liu, Boli","Highly Sensitive Near-Infrared Fluorophores for in Vivo Detection of Amyloid-β Plaques in Alzheimer's Disease.","Journal of medicinal chemistry","2015","58","17","6972","6983","10.1021/acs.jmedchem.5b00861","","","0.71073","MoKα","","0.116","0.0789","","","0.1788","0.2019","","","","","","0.999","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1533374","11.3662","0.0009","17.1523","0.0013","15.528","0.0015","90","","111.111","0.002","90","","2824.1","0.4","100","2","100","2","","","","","","","","7","P 1 21/n 1","-P 2yn","14","","Chlorido-(pentamethylcyclopentadienyl)- (N-n-butyl-(para-trifluoromethylphenyl)(methylester)benzimidazol-κN,C)iridium(II)","","- C30 H33 Cl F3 Ir N2 O2 -","- C30 H33 Cl F3 Ir N2 O2 -","- C120 H132 Cl4 F12 Ir4 N8 O8 -","4","1","","Yellol, Jyoti; Pérez, Sergio A; Buceta, Alicia; Yellol, Gorakh; Donaire, Antonio; Szumlas, Piotr; Bednarski, Patrick J.; Makhloufi, Gamall; Janiak, Christoph; Espinosa, Arturo; Ruiz, José","Novel C,N-Cyclometalated Benzimidazole Ruthenium(II) and Iridium(III) Complexes as Antitumor and Antiangiogenic Agents: A Structure-Activity Relationship Study.","Journal of medicinal chemistry","2015","58","18","7310","7327","10.1021/acs.jmedchem.5b01194","","","0.71073","MoKα","","0.1275","0.1147","","","0.2639","0.2721","","","","","","1.13","","","","has coordinates","159608","2020-10-21","18:00:00",""
"1533375","12.5656","0.0006","17.1429","0.0008","13.9971","0.0007","90","","108.785","0.002","90","","2854.5","0.2","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","Chlorido-(1-methyl-4-isopropyl-benzene)- (N-n-butyl-(para-trifluoromethylphenyl)(methylester)benzimidazol-κN,C)ruthenium(II)","","- C30 H32 Cl F3 N2 O2 Ru -","- C30 H32 Cl F3 N2 O2 Ru -","- C120 H128 Cl4 F12 N8 O8 Ru4 -","4","1","","Yellol, Jyoti; Pérez, Sergio A; Buceta, Alicia; Yellol, Gorakh; Donaire, Antonio; Szumlas, Piotr; Bednarski, Patrick J.; Makhloufi, Gamall; Janiak, Christoph; Espinosa, Arturo; Ruiz, José","Novel C,N-Cyclometalated Benzimidazole Ruthenium(II) and Iridium(III) Complexes as Antitumor and Antiangiogenic Agents: A Structure-Activity Relationship Study.","Journal of medicinal chemistry","2015","58","18","7310","7327","10.1021/acs.jmedchem.5b01194","","","0.71073","MoKα","","0.0565","0.0316","","","0.0623","0.0696","","","","","","1.013","","","","has coordinates","176428","2020-10-21","18:00:00",""
"1553249","4.9653","0.0001","10.6228","0.0002","34.2129","0.0006","90","","90","","90","","1804.57","0.06","173","2","173","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C21 H24 O5 -","- C21 H24 O5 -","- C84 H96 O20 -","4","1","","Jiang, Junhang; Zheng, Canhui; Zhu, Kongkai; Liu, Jia; Sun, Nannan; Wang, Chongqing; Jiang, Hualiang; Zhu, Ju; Luo, Cheng; Zhou, Youjun","Quantum chemistry calculation-aided structural optimization of combretastatin A-4-like tubulin polymerization inhibitors: improved stability and biological activity.","Journal of medicinal chemistry","2015","58","5","2538","2546","10.1021/acs.jmedchem.5b00118","","","1.54178","CuKα","","0.0462","0.0446","","","0.1147","0.1163","","","","","","1.103","","","","has coordinates","234006","2020-10-21","18:00:00",""