# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-27T02:46:43+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 = 60 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
"1545900","5.4583","0.0003","10.396","0.0006","19.0896","0.001","90","","98.026","0.006","90","","1072.62","0.1","293","2","293.15","","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C25 H31 N O2 -","- C25 H31 N O2 -","- C50 H62 N2 O4 -","2","1","","Qin, Linlin; Ren, Lei; Wan, Songlin; Liu, Guoliang; Luo, Xinfeng; Liu, Zhenhong; Li, Fangqiong; Yu, Yan; Liu, Jianyu; Wei, Yonggang","Design, Synthesis, and Evaluation of Novel 2,6-Disubstituted Phenol Derivatives as General Anesthetics.","Journal of medicinal chemistry","2017","60","9","3606","3617","10.1021/acs.jmedchem.7b00254","","x-ray","0.71073","MoKα","","0.0727","0.0509","","","0.1075","0.1217","","","","","","1.054","","","","has coordinates","197450","2020-10-21","18:00:00",""
"1545922","9.0661","0.0008","10.4931","0.0009","34.221","0.003","90","","90","","90","","3255.5","0.5","298","2","298","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H39 N O5 -","- C37 H39 N O5 -","- C148 H156 N4 O20 -","4","1","","Tan, Liang; Tao, Yunliang; Wang, Ting; Zou, Feng; Zhang, Shuhua; Kou, Qunhuan; Niu, Ao; Chen, Qian; Chu, Wenjing; Chen, Xiaoyan; Wang, Haidong; Yang, Yushe","Discovery of Novel Pyridone-Conjugated Monosulfactams as Potent and Broad-Spectrum Antibiotics for Multidrug-Resistant Gram-Negative Infections.","Journal of medicinal chemistry","2017","60","7","2669","2684","10.1021/acs.jmedchem.6b01261","","","1.54178","CuKα","","0.099","0.0937","","","0.2667","0.2754","","","","","","1.199","","","","has coordinates","196011","2020-10-21","18:00:00",""
"1546199","12.237","0.0002","12.4525","0.0002","13.7714","0.0003","90","","90","","90","","2098.5","0.07","173","","173","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C25 H24 N2 O3 -","- C25 H24 N2 O3 -","- C100 H96 N8 O12 -","4","1","","Tabata, Hidetsugu; Yoneda, Tetsuya; Oshitari, Tetsuta; Takahashi, Hideyo; Natsugari, Hideaki","Tolvaptan-Type Vasopressin Receptor Ligands: Important Role of Axial Chirality in the Active Form.","Journal of medicinal chemistry","2017","60","10","4503","4509","10.1021/acs.jmedchem.7b00422","","","1.54187","CuKα","","0.033","0.0311","","","0.0995","0.1026","","","","","","0.904","","","","has coordinates","197313","2020-10-21","18:00:00",""
"1546508","10.0992","0.0003","20.5006","0.0007","13.57","0.0005","90","","90.2639","0.0005","90","","2809.5","0.16","193","2","193","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C31 H32 N6 Ni O3 -","- C31 H32 N6 Ni O3 -","- C124 H128 N24 Ni4 O12 -","4","2","","McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C.","Synthetic Modification within the ""RPRL"" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation.","Journal of medicinal chemistry","2017","60","14","6408","6427","10.1021/acs.jmedchem.7b00723","","","0.71073","MoKα","","0.0478","0.0364","","","0.0759","0.081","","","","","","1.032","","","","has coordinates","200673","2020-10-21","18:00:00",""
"1546982","11.1064","0.0003","21.5351","0.0006","12.1674","0.0003","90","","105.031","0.0009","90","","2810.6","0.13","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C32 H35 N3 Ni O3 -","- C32 H35 N3 Ni O3 -","- C128 H140 N12 Ni4 O12 -","4","2","","McKinnie, Shaun M. K.; Wang, Wang; Fischer, Conrad; McDonald, Tyler; Kalin, Kevin R.; Iturrioz, Xavier; Llorens-Cortes, Catherine; Oudit, Gavin Y.; Vederas, John C.","Synthetic Modification within the ""RPRL"" Region of Apelin Peptides: Impact on Cardiovascular Activity and Stability to Neprilysin and Plasma Degradation.","Journal of medicinal chemistry","2017","60","14","6408","6427","10.1021/acs.jmedchem.7b00723","","","1.54178","CuKα","","0.0213","0.0212","","","0.0573","0.0574","","","","","","1.028","","","","has coordinates","200442","2020-10-21","18:00:00",""
"1547325","9.6462","0.0003","11.3462","0.0003","34.2707","0.001","81.024","0.002","83.266","0.002","65.585","0.002","3367.79","0.18","200","1","200","1","","","","","","","","5","P -1","-P 1","2","","","","- C35.5 H41 Fe N O7 -","- C35.5 H41 Fe N O7 -","- C142 H164 Fe4 N4 O28 -","4","2","","Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard","A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin.","Journal of medicinal chemistry","2017","60","20","8358","8368","10.1021/acs.jmedchem.7b00743","","","1.54178","CuKα","","0.0378","0.0332","","","0.0868","0.0895","","","","","","1.028","","","","has coordinates","214153","2020-10-21","18:00:00",""
"1547327","11.7418","0.0003","16.8025","0.0005","13.8536","0.0004","90","","112.354","0.002","90","","2527.8","0.13","200","1","200","1","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C31 H29 Fe N O4 -","- C31 H29 Fe N O4 -","- C124 H116 Fe4 N4 O16 -","4","1","","Pigeon, Pascal; Wang, Yong; Top, Siden; Najlaoui, Feten; Garcia Alvarez, Maria Concepcion; Bignon, Jérôme; McGlinchey, Michael J.; Jaouen, Gérard","A New Series of Succinimido-ferrociphenols and Related Heterocyclic Species Induce Strong Antiproliferative Effects, Especially against Ovarian Cancer Cells Resistant to Cisplatin.","Journal of medicinal chemistry","2017","60","20","8358","8368","10.1021/acs.jmedchem.7b00743","","","1.54178","CuKα","","0.0393","0.0344","","","0.0847","0.0879","","","","","","1.035","","","","has coordinates","202667","2020-10-21","18:00:00",""
"1547519","12.1734","0.0005","11.7178","0.0004","15.5279","0.0006","90","","110.903","0.002","90","","2069.21","0.14","173","2","173","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C38 H39 F2 N5 O3 -","- C38 H39 F2 N5 O3 -","- C76 H78 F4 N10 O6 -","2","1","","Jiang, Yan; Zhuang, Chunlin; Chen, Long; Lu, Junjie; Dong, Guoqiang; Miao, Zhenyuan; Zhang, Wannian; Li, Jian; Sheng, Chunquan","Structural Biology-Inspired Discovery of Novel KRAS-PDEδ Inhibitors.","Journal of medicinal chemistry","2017","60","22","9400","9406","10.1021/acs.jmedchem.7b01243","","","1.54178","CuKα","","0.0962","0.0881","","","0.2507","0.2672","","","","","","1.089","","","","has coordinates","203986","2020-10-21","18:00:00",""