# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T13:08:33+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 = 55 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
"1503454","6.2608","0.0002","27.9762","0.002","11.5615","0.0004","89.99","0.006","90.002","0.006","89.995","0.006","2025.04","0.17","93","","93","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H22 N2 O4 -","- C25 H22 N2 O4 -","- C100 H88 N8 O16 -","4","2","","Zhang, Hankun; Tückmantel, Werner; Eaton, J. Brek; Yuen, Po-Wai; Yu, Li-Fang; Bajjuri, Krishna Mohan; Fedolak, Allison; Wang, Daguang; Ghavami, Afshin; Caldarone, Barbara; Paterson, Neil E.; Lowe, David A.; Brunner, Daniela; Lukas, Ronald J.; Kozikowski, Alan P.","Chemistry and Behavioral Studies Identify Chiral Cyclopropanes as Selective α4β2-Nicotinic Acetylcholine Receptor Partial Agonists Exhibiting an Antidepressant Profile.","Journal of medicinal chemistry","2012","55","2","717","724","10.1021/jm201157c","","","1.54187","CuKα","","","0.0584","","","","0.1598","","","","","","1.05","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1503455","10.18411","0.00014","14.96067","0.00018","9.13052","0.00013","90","","99.2862","0.0014","90","","1372.9","0.03","173","2","173","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C12 H16 Br N3 O2 S -","- C12 H16 Br N3 O2 S -","- C48 H64 Br4 N12 O8 S4 -","4","1","","Baud, Matthias G. J.; Leiser, Thomas; Haus, Patricia; Samlal, Sharon; Wong, Ai Ching; Wood, Robert J.; Petrucci, Vanessa; Gunaratnam, Mekala; Hughes, Siobhan M.; Buluwela, Lakjaya; Turlais, Fabrice; Neidle, Stephen; Meyer-Almes, Franz-Josef; White, Andrew J. P.; Fuchter, Matthew J.","Defining the Mechanism of Action and Enzymatic Selectivity of Psammaplin A against Its Epigenetic Targets.","Journal of medicinal chemistry","2012","55","4","1731","1750","10.1021/jm2016182","","","0.71073","MoKα","","0.0401","0.024","","","0.0518","0.0532","","","","","","0.927","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507655","17.983","0.0019","7.4102","0.0008","19.235","0.002","90","","93.649","0.002","90","","2558","0.5","298","2","298","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C13 H15 Fe N O Se -","- C13 H15 Fe N O Se -","- C104 H120 Fe8 N8 O8 Se8 -","8","1","","Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A","Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties.","Journal of medicinal chemistry","2012","55","10","4652","4663","10.1021/jm300150t","","","0.71073","MoKα","","0.0315","0.0254","","","0.0603","0.0629","","","","","","1.059","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1507656","9.598","0.003","8.166","0.002","12.75","0.004","90","","103.19","0.004","90","","972.9","0.5","298","2","298","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C9 H11 N O Se -","- C9 H11 N O Se -","- C36 H44 N4 O4 Se4 -","4","1","","Gutiérrez-Hernández, Alejandro I; López-Cortés, José G; Ortega-Alfaro, M Carmen; Ramírez-Apan, M Teresa; Cázares-Marinero, José de Jesús; Toscano, Rubén A","Ferrocenylselenoamides: synthesis, characterization and cytotoxic properties.","Journal of medicinal chemistry","2012","55","10","4652","4663","10.1021/jm300150t","","","0.71073","MoKα","","0.0367","0.0283","","","0.0696","0.0736","","","","","","1.036","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1507788","9.4898","0.0012","15.218","0.002","8.9436","0.0012","90","","90","","90","","1291.6","0.3","100","2","100","2","","","","","","","","5","P c a 21","P 2c -2ac","29","Compound 3","","","- C10 H15 N3 O5 Pt -","- C10 H15 N3 O5 Pt -","- C40 H60 N12 O20 Pt4 -","4","1","","Wilson, Justin J.; Lippard, Stephen J.","In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands.","Journal of medicinal chemistry","2012","55","11","5326","5336","10.1021/jm3002857","","","0.71073","MoKα","","0.0144","0.0131","","","0.0285","0.0289","","","","","","1.062","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1507789","18.336","0.002","7.1871","0.0009","10.8106","0.0013","90","","100.556","0.002","90","","1400.5","0.3","100","2","100","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","Compound 4","","","- C10 H12 F3 N3 O5 Pt -","- C10 H12 F3 N3 O5 Pt -","- C40 H48 F12 N12 O20 Pt4 -","4","1","","Wilson, Justin J.; Lippard, Stephen J.","In Vitro Anticancer Activity of cis-Diammineplatinum(II) Complexes with β-Diketonate Leaving Group Ligands.","Journal of medicinal chemistry","2012","55","11","5326","5336","10.1021/jm3002857","","","0.71073","MoKα","","0.0278","0.0194","","","0.0367","0.0391","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508253","13.6384","0.0005","7.1514","0.0003","19.5985","0.0008","90","","101.048","0.001","90","","1876.09","0.13","100","2","100","2","","","","","","","","5","C 1 2 1","C 2y","5","","","","- C18 H27 F2 N O5 -","- C18 H27 F2 N O5 -","- C72 H108 F8 N4 O20 -","4","1","","Yu, Wenquan; Gill, Tina; Wang, Lijuan; Du, Yanming; Ye, Hong; Qu, Xiaowang; Guo, Ju-Tao; Cuconati, Andrea; Zhao, Kang; Block, Timothy M.; Xu, Xiaodong; Chang, Jinhong","Design, Synthesis, and Biological Evaluation of N-Alkylated Deoxynojirimycin (DNJ) Derivatives for the Treatment of Dengue Virus Infection.","Journal of medicinal chemistry","2012","55","13","6061","6075","10.1021/jm300171v","","","0.71073","MoKα","","0.0276","0.0263","","","0.0719","0.0729","","","","","","1.061","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1508515","13.66","0.003","9.867","0.002","23.937","0.006","90","","98.52","0.005","90","","3190.7","1.2","293","2","293","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C10.5 H17 Cl2 N2 O4.5 Pt -","- C10.5 H17 Cl2 N2 O4.5 Pt -","- C84 H136 Cl16 N16 O36 Pt8 -","8","2","","Chin, Chee Fei; Tian, Quan; Setyawati, Magdiel Inggrid; Fang, Wanru; Tan, Emelyn Sue Qing; Leong, David Tai; Ang, Wee Han","Tuning the activity of platinum(IV) anticancer complexes through asymmetric acylation.","Journal of medicinal chemistry","2012","55","17","7571","7582","10.1021/jm300580y","","","0.71073","MoKα","","0.0514","0.0427","","","0.0953","0.0988","","","","","","1.1","","","","has coordinates","176435","2020-10-21","18:00:00",""
"1508516","9.242","0.003","10.288","0.003","14.494","0.004","77.219","0.005","84.291","0.004","80.289","0.005","1321.9","0.7","293","2","293","2","","","","","","","","5","P -1","-P 1","2","","","","- C22 H20 Cu N2 O2 -","- C22 H20 Cu N2 O2 -","- C66 H60 Cu3 N6 O6 -","3","1.5","","Tardito, Saverio; Barilli, Amelia; Bassanetti, Irene; Tegoni, Matteo; Bussolati, Ovidio; Franchi-Gazzola, Renata; Mucchino, Claudio; Marchi uciano","Copper-dependent cytotoxicity of 8-hydroxyquinoline derivatives correlates with their hydrophobicity and does not require caspase activation.","Journal of medicinal chemistry","2012","55","23","10448","10459","10.1021/jm301053a","","","0.71073","MoKα","","0.095","0.0546","","","0.1273","0.1496","","","","","","1.047","","","","has coordinates","215051","2020-10-21","18:00:00",""
"1508517","22.584","0.0005","7.59176","0.00018","10.5047","0.0003","90","","92.039","0.002","90","","1799.91","0.08","183","2","183","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C23 H22 Fe N2 O2 -","- C23 H22 Fe N2 O2 -","- C92 H88 Fe4 N8 O8 -","4","1","","Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles","Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.","Journal of medicinal chemistry","2012","55","20","8790","8798","10.1021/jm301077m","","","0.7107","MoKα","","0.0665","0.0516","","","0.1106","0.1172","","","","","","1.112","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508518","7.455","0.0002","10.3389","0.0002","13.2992","0.0003","72.296","0.002","81.3454","0.0019","78.354","0.002","952.04","0.04","183","2","183","2","","","","","","","","5","P -1","-P 1","2","","","","- C23 H24 Fe N2 O -","- C23 H24 Fe N2 O -","- C46 H48 Fe2 N4 O2 -","2","1","","Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles","Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.","Journal of medicinal chemistry","2012","55","20","8790","8798","10.1021/jm301077m","","","0.7107","MoKα","","0.0346","0.0305","","","0.0789","0.0813","","","","","","1.042","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1508519","19.7267","0.0007","5.7377","0.0002","36.268","0.0011","90","","90","","90","","4105","0.2","183","2","183","2","","","","","","","","5","P c a 21","P 2c -2ac","29","","","","- C25 H26 Fe N2 O2 -","- C25 H26 Fe N2 O2 -","- C200 H208 Fe8 N16 O16 -","8","2","","Patra, Malay; Ingram, Katrin; Pierroz, Vanessa; Ferrari, Stefano; Spingler, Bernhard; Keiser, Jennifer; Gasser, Gilles","Ferrocenyl derivatives of the anthelmintic praziquantel: design, synthesis, and biological evaluation.","Journal of medicinal chemistry","2012","55","20","8790","8798","10.1021/jm301077m","","","0.7107","MoKα","","0.0806","0.0706","","","0.1638","0.1708","","","","","","1.108","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1508520","6.1836","0.0002","8.0658","0.0003","15.5374","0.0007","102.217","0.003","92.75","0.003","108.655","0.002","711.98","0.05","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","(OC-6-54)-Dichlorido(N,N-dimethyl-ethane-1,2-diamine)aquamethoxidoplatinum(IV) trifluoroacetate","","- C7 H17 Cl2 F3 N2 O4 Pt -","- C7 H17 Cl2 F3 N2 O4 Pt -","- C14 H34 Cl4 F6 N4 O8 Pt2 -","2","1","","Pichler, Verena; Heffeter, Petra; Valiahdi, Seied M.; Kowol, Christian R.; Egger, Alexander; Berger, Walter; Jakupec, Michael A.; Galanski, Markus; Keppler, Bernhard K.","Unsymmetric Mono- and Dinuclear Platinum(IV) Complexes Featuring an Ethylene Glycol Moiety: Synthesis, Characterization, and Biological Activity.","Journal of medicinal chemistry","2012","55","24","11052","11061","10.1021/jm301645g","","","0.71073","MoKα","","0.0253","0.0228","","","0.0539","0.0548","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""