# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T16:39:48+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 'Med. Chem. Commun.') AND volume = 7 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
"7118071","13.678","0.005","10.566","0.005","12.076","0.005","90","","90","","90","","1745.2","1.3","100","2","100","1","","","","","","","","5","P n a 21","P 2c -2n","33","","","","- C8 H6 Ag N3 O3 -","- C8 H6 Ag N3 O3 -","- C64 H48 Ag8 N24 O24 -","8","2","","Savić, Nada D.; Glišić, Biljana Đ.; Wadepohl, Hubert; Pavic, Aleksandar; Senerovic, Lidija; Nikodinovic-Runic, Jasmina; Djuran, Miloš I.","Silver(i) complexes with quinazoline and phthalazine: synthesis, structural characterization and evaluation of biological activities","Med. Chem. Commun.","2016","7","2","282","","10.1039/C5MD00494B","","x-ray","0.71073","MoKα","","0.0269","0.0219","","","0.0453","0.0474","","","","","","1.056","","","","has coordinates","177881","2020-10-21","18:00:00",""
"7118072","7.544","0.003","8.109","0.004","11.175","0.005","110.495","0.012","99.22","0.009","98.036","0.011","617.7","0.5","100","2","100","1","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Ag2 B2 F8 N6 -","- C20 H18 Ag2 B2 F8 N6 -","- C20 H18 Ag2 B2 F8 N6 -","1","0.5","","Savić, Nada D.; Glišić, Biljana Đ.; Wadepohl, Hubert; Pavic, Aleksandar; Senerovic, Lidija; Nikodinovic-Runic, Jasmina; Djuran, Miloš I.","Silver(i) complexes with quinazoline and phthalazine: synthesis, structural characterization and evaluation of biological activities","Med. Chem. Commun.","2016","7","2","282","","10.1039/C5MD00494B","","x-ray","0.71073","MoKα","","0.0222","0.0196","","","0.046","0.0471","","","","","","1.071","","","","has coordinates","177881","2020-10-21","18:00:00",""
"7118950","14.6162","0.0011","16.3774","0.0008","12.5927","0.0011","90","","90","","90","","3014.4","0.4","293","2","293","2","","","","","","","","6","P n n a","-P 2a 2bc","52","","","","- C28 H20 Br2 Co N4 O4 -","- C28 H20 Br2 Co N4 O4 -","- C112 H80 Br8 Co4 N16 O16 -","4","0.5","","Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong","Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism","Med. Chem. Commun.","2016","7","5","806","","10.1039/C6MD00073H","","","0.7107","MoKα","","0.1571","0.0934","","","0.2749","0.336","","","","","","1.048","","","","has coordinates,has disorder","183716","2020-10-21","18:00:00",""
"7118951","17.88","0.004","13.11","0.003","14.44","0.003","90","","112.47","0.03","90","","3127.9","1.4","293","2","293","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C32 H32 Co N6 O8 -","- C32 H24 Co N6 O8 -","- C128 H96 Co4 N24 O32 -","4","0.5","","Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong","Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism","Med. Chem. Commun.","2016","7","5","806","","10.1039/C6MD00073H","","","0.71073","MoKα","","0.1138","0.0943","","","0.248","0.2596","","","","","","1.155","","","","has coordinates","183716","2020-10-21","18:00:00",""
"7118952","17.9171","0.0008","17.9171","0.0008","17.1784","0.0008","90","","90","","90","","5514.7","0.4","293","2","293","2","","","","","","","","5","P 4/n n c","-P 4a 2bc","126","","","","- C32 H24 Co N6 O4.25 -","- C32 H24 Co N6 O4.25 -","- C256 H192 Co8 N48 O34 -","8","","","Zhang, Hai-Rong; Huang, Ke-Bin; Chen, Zhen-Feng; Liu, Yan-Cheng; Liu, You-Nian; Meng, Ting; Qin, Qi-Pin; Zou, Bi-Qun; Liang, Hong","Cobalt(ii) 8-hydroxyquinoline complexes: structure, cytotoxicity and action mechanism","Med. Chem. Commun.","2016","7","5","806","","10.1039/C6MD00073H","","","0.71073","MoKα","","0.1187","0.0793","","","0.2405","0.2728","","","","","","1.054","","","","has coordinates","183716","2020-10-21","18:00:00",""
"7118953","11.9747","0.0009","15.8152","0.0006","14.1457","0.001","90","","114.424","0.009","90","","2439.2","0.3","293","2","296.15","","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C25 H24 N6 O6 Zn -","- C25 H24 N6 O6 Zn -","- C100 H96 N24 O24 Zn4 -","4","0.5","","Zou, Hua-Hong; Wei, Jun-Guang; Qin, Xiao-Huan; Mo, Shun-Gui; Qin, Qi-Pin; Liu, Yan-Cheng; Liang, Fu-Pei; Zhang, Yun-Liang; Chen, Zhen-Feng","Synthesis, crystal structure, cytotoxicity and action mechanism of Zn(ii) and Mn(ii) complexes with 4-([2,2′:6′,2′′-terpyridin]-4′-yl)-N,N-diethylaniline as a ligand","Med. Chem. Commun.","2016","7","6","1132","","10.1039/C6MD00098C","","x-ray","0.71073","MoKα","","0.0653","0.0529","","","0.13","0.1467","","","","","","1.0081","","","","has coordinates","183715","2020-10-21","18:00:00",""
"7118954","19.0394","0.0004","15.14","0.0004","17.3328","0.0005","90","","108.185","0.002","90","","4746.7","0.2","293","2","296.15","","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C50 H48 Cl2 Mn N8 O8 -","- C50 H48 Cl2 Mn N8 O8 -","- C200 H192 Cl8 Mn4 N32 O32 -","4","1","","Zou, Hua-Hong; Wei, Jun-Guang; Qin, Xiao-Huan; Mo, Shun-Gui; Qin, Qi-Pin; Liu, Yan-Cheng; Liang, Fu-Pei; Zhang, Yun-Liang; Chen, Zhen-Feng","Synthesis, crystal structure, cytotoxicity and action mechanism of Zn(ii) and Mn(ii) complexes with 4-([2,2′:6′,2′′-terpyridin]-4′-yl)-N,N-diethylaniline as a ligand","Med. Chem. Commun.","2016","7","6","1132","","10.1039/C6MD00098C","","x-ray","0.71073","MoKα","","0.0924","0.0672","","","0.1939","0.223","","","","","","1.0801","","","","has coordinates","183715","2020-10-21","18:00:00",""
"7118955","16.2461","0.0006","7.5152","0.0003","14.1846","0.0005","90","","97.938","0.003","90","","1715.24","0.11","130","2","130","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C10 H8 Au2 Cl6 N2 -","- C10 H8 Au2 Cl6 N2 -","- C40 H32 Au8 Cl24 N8 -","4","0.5","","Glišić, Biljana Đ.; Savić, Nada D.; Warżajtis, Beata; Djokic, Lidija; Ilic-Tomic, Tatjana; Antić, Marija; Radenković, Slavko; Nikodinovic-Runic, Jasmina; Rychlewska, Urszula; Djuran, Miloš I.","Synthesis, structural characterization and biological evaluation of dinuclear gold(iii) complexes with aromatic nitrogen-containing ligands: antimicrobial activity in relation to the complex nuclearity","Med. Chem. Commun.","2016","7","7","1356","","10.1039/C6MD00214E","","","0.71073","MoKα","","0.0221","0.0194","","","0.0478","0.0487","","","","","","1.197","","","","has coordinates","185561","2020-10-21","18:00:00",""
"7118956","10.7433","0.0007","12.853","0.0007","14.532","0.0005","97.587","0.004","90.559","0.004","100.953","0.005","1951.58","0.18","293","2","293","2","","","","","","","","6","P -1","-P 1","2","","","","- C19 H19 Cl2 N3 O V -","- C19 H19 Cl2 N3 O V -","- C76 H76 Cl8 N12 O4 V4 -","4","2","","Kumar, Arun; Dixit, Akanksha; Banerjee, Samya; Bhattacharyya, Arnab; Garai, Aditya; Karande, Anjali A.; Chakravarty, Akhil R.","Cellular imaging and mitochondria targeted photo-cytotoxicity in visible light by singlet oxygen using a BODIPY-appended oxovanadium(iv) DNA crosslinking agent","Med. Chem. Commun.","2016","7","7","1398","","10.1039/C6MD00071A","","","0.71073","MoKα","","0.1061","0.0603","","","0.1193","0.1488","","","","","","1.011","","","","has coordinates","185562","2020-10-21","18:00:00",""
"7119026","10.3102","0.0006","10.7772","0.0006","14.5496","0.0008","80.932","0.005","89.859","0.005","65.526","0.005","1449.48","0.16","298","2","298","2","","","","","","","","8","P -1","-P 1","2","","","","- C24 H18 Cl Co N8 O5 S Se2 -","- C24 H18 Cl Co N8 O5 S Se2 -","- C48 H36 Cl2 Co2 N16 O10 S2 Se4 -","2","1","","Filipović, Nenad R.; Bjelogrlić, Snežana; Portalone, Gustavo; Pelliccia, Sveva; Silvestri, Romano; Klisurić, Olivera; Senćanski, Milan; Stanković, Dalibor; Todorović, Tamara R.; Muller, Christian D.","Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(iii) complex in human cancer cell lines","Med. Chem. Commun.","2016","7","8","1604","","10.1039/C6MD00199H","","","0.710689","MoKα","","0.0509","0.038","","","0.088","0.0944","","","","","","1.025","","","","has coordinates","186450","2020-10-21","18:00:00",""
"7119027","8.8291","0.0008","12.9308","0.0008","10.1657","0.0007","90","","97.384","0.008","90","","1150.97","0.15","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C11 H10 N4 Se -","- C11 H10 N4 Se -","- C44 H40 N16 Se4 -","4","1","","Filipović, Nenad R.; Bjelogrlić, Snežana; Portalone, Gustavo; Pelliccia, Sveva; Silvestri, Romano; Klisurić, Olivera; Senćanski, Milan; Stanković, Dalibor; Todorović, Tamara R.; Muller, Christian D.","Pro-apoptotic and pro-differentiation induction by 8-quinolinecarboxaldehyde selenosemicarbazone and its Co(iii) complex in human cancer cell lines","Med. Chem. Commun.","2016","7","8","1604","","10.1039/C6MD00199H","","","0.71073","MoKα","","0.0428","0.0313","","","0.0698","0.0745","","","","","","1.022","","","","has coordinates","186450","2020-10-21","18:00:00",""
"7119029","22.12","0.003","11.7114","0.0016","16.324","0.002","90","","109.222","0.004","90","","3993.1","0.9","273","2","273","2","","","","","","","","5","C 1 2/c 1","-C 2yc","15","","","","- C21 H23 N3 O3 S -","- C21 H23 N3 O3 S -","- C168 H184 N24 O24 S8 -","8","1","","Man, Ruo-Jun; Tang, Dan-Jie; Lu, Xiao-Yuan; Duan, Yong-Tao; Tao, Xiang-Xiang; Yang, Meng-Ru; Wang, Le-Le; Wang, Bao-Zhong; Xu, Chen; Zhu, Hai-Liang","Synthesis and biological evaluation of novel indole derivatives containing sulfonamide scaffold as potential tubulin inhibitor","Med. Chem. Commun.","2016","7","9","1759","","10.1039/C6MD00255B","","","0.71073","MoKα","","0.0694","0.0463","","","0.1084","0.1215","","","","","","1.018","","","","has coordinates","187156","2020-10-21","18:00:00",""
"7119063","19.2951","0.0009","13.6381","0.0004","19.3808","0.0008","90","","119.209","0.005","90","","4451.5","0.4","150","2","150","2","","","","","","","","5","I 1 2/a 1","-I 2ya","15","","5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)-N-(2-methylquinolin-8-yl)thiazol-2-amine","","- C25 H25 N3 O2 S -","- C25 H25 N3 O2 S -","- C200 H200 N24 O16 S8 -","8","1","","Wu, Z. L.; Fang, Y. L.; Tang, Y. T.; Xiao, M. W.; Ye, J.; Li, G. X.; Hu, A. X.","Synthesis and antitumor evaluation of 5-(benzo[d][1,3]dioxol-5-ylmethyl)-4-(tert-butyl)-N-arylthiazol-2-amines","Med. Chem. Commun.","2016","7","9","1768","","10.1039/C6MD00234J","","","0.71073","MoKα","","0.0538","0.043","","","0.1074","0.1164","","","","","","1.046","","","","has coordinates,has disorder","187154","2020-10-21","18:00:00",""
"7119104","7.4733","0.0002","17.126","0.0006","9.9156","0.0003","90","","90","","90","","1269.08","0.07","296","2","296.15","","","","","","","","","7","P n a 21","P 2c -2n","33","","","","- C11 H12 Cl N O2 Pt S -","- C11 H12 Cl N O2 Pt S -","- C44 H48 Cl4 N4 O8 Pt4 S4 -","4","1","","Meng, Ting; Tang, Shang-Feng; Qin, Qi-Pin; Liang, Yue-Lan; Wu, Chen-Xuan; Wang, Chen-Yu; Yan, Hou-Tian; Dong, Jia-Xin; Liu, Yan-Cheng","Evaluation of the effect of iodine substitution of 8-hydroxyquinoline on its platinum(ii)complex: cytotoxicity, cell apoptosis and telomerase inhibition","Med. Chem. Commun.","2016","7","9","1802","","10.1039/C6MD00201C","","x-ray","0.71073","MoKα","","0.0681","0.0606","","","0.1408","0.1534","","","","","","1.076","","","","has coordinates","187155","2020-10-21","18:00:00",""
"7119105","12.2175","0.0004","11.5867","0.0004","45.0661","0.0013","90","","90","","90","","6379.6","0.4","293","2","296.15","","","","","","","","","8","P b c a","-P 2ac 2ab","61","","","","- C11 H10 Cl I2 N O2 Pt S -","- C11 H10 Cl I2 N O2 Pt S -","- C176 H160 Cl16 I32 N16 O32 Pt16 S16 -","16","2","","Meng, Ting; Tang, Shang-Feng; Qin, Qi-Pin; Liang, Yue-Lan; Wu, Chen-Xuan; Wang, Chen-Yu; Yan, Hou-Tian; Dong, Jia-Xin; Liu, Yan-Cheng","Evaluation of the effect of iodine substitution of 8-hydroxyquinoline on its platinum(ii)complex: cytotoxicity, cell apoptosis and telomerase inhibition","Med. Chem. Commun.","2016","7","9","1802","","10.1039/C6MD00201C","","x-ray","0.71073","MoKα","","0.0581","0.047","","","0.0934","0.0998","","","","","","1.061","","","","has coordinates","192220","2020-10-21","18:00:00",""
"7119106","13.3396","0.001","8.2529","0.0007","15.4875","0.0013","90","","94.937","0.008","90","","1698.7","0.2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C21 H16 O S -","- C21 H16 O S -","- C84 H64 O4 S4 -","4","1","","Gill, Rupinder Kaur; Kaur, Ramandeep; Kumar, Virender; Gupta, Vivek; Singh, Gagandeep; Bariwal, Jitender","Design and microwave assisted synthesis of novel 2-phenyl/2-phenylethynyl-3-aroyl thiophenes as potent antiproliferative agents","Med. Chem. Commun.","2016","7","10","1966","","10.1039/C6MD00256K","","","0.71073","MoKα","","0.0971","0.0523","","","0.1212","0.1509","","","","","","0.985","","","","has coordinates","188254","2020-10-21","18:00:00",""
"7119107","13.987","0.002","16.528","0.003","20.406","0.004","90","","90.626","0.017","90","","4717.1","1.4","165","2","165","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C15 H19 Cl N4 O -","- C15 H19 Cl N4 O -","- C180 H228 Cl12 N48 O12 -","12","3","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.1184","0.0513","","","0.1054","0.1283","","","","","","1.019","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119108","13.2894","0.0015","16.911","0.003","9.2595","0.0012","90","","97.917","0.009","90","","2061.1","0.5","161","2","161","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C21 H25 Cl N4 O2 -","- C21 H25 Cl N4 O2 -","- C84 H100 Cl4 N16 O8 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0703","0.042","","","0.0908","0.1027","","","","","","1.028","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119109","10.217","0.003","15.177","0.004","16.06","0.004","72.646","0.009","85.659","0.014","88.367","0.01","2370.1","1.1","163","2","163","2","","","","","","","","6","P -1","-P 1","2","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C22 H27 Cl N4 O2 S -","- C22 H27 Cl N4 O2 S -","- C88 H108 Cl4 N16 O8 S4 -","4","2","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.2539","0.0737","","","0.143","0.1855","","","","","","0.903","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119110","9.5365","0.0019","10.4435","0.0013","13.1768","0.0016","85.347","0.009","84.622","0.01","68.226","0.017","1211.8","0.4","164","2","164","2","","","","","","","","6","P -1","-P 1","2","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C23 H29 Cl N4 O2 S -","- C23 H29 Cl N4 O2 S -","- C46 H58 Cl2 N8 O4 S2 -","2","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0531","0.0376","","","0.0947","0.102","","","","","","1.069","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119111","10.2698","0.0016","14.906","0.002","16.249","0.002","90","","96.954","0.009","90","","2469.1","0.6","163","2","163","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C23 H31 Cl N4 O3 -","- C23 H31 Cl N4 O3 -","- C92 H124 Cl4 N16 O12 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.081","0.0526","","","0.1138","0.1308","","","","","","1.09","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119112","17.753","0.003","16.394","0.004","9.6378","0.0011","90","","120.355","0.007","90","","2420.5","0.8","158","2","158","2","","","","","","","","6","C 1 c 1","C -2yc","9","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C23 H29 Cl N4 O2 S -","- C23 H29 Cl N4 O2 S -","- C92 H116 Cl4 N16 O8 S4 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0761","0.0506","","","0.1046","0.1166","","","","","","1.101","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119113","5.4909","0.0003","15.4713","0.0009","26.0024","0.0015","90","","90","","90","","2208.9","0.2","176","2","176","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","1-(5-tert-Butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chlorophenyl)urea","","- C21 H26 Cl2 N4 O2 -","- C21 H26 Cl2 N4 O2 -","- C84 H104 Cl8 N16 O8 -","4","1","","Nasiri, Amir H.; Saxena, Krishna; Bats, Jan W.; Nasiri, Hamid R.; Schwalbe, Harald","Biophysical investigation and conformational analysis of p38α kinase inhibitor doramapimod and its analogues","Med. Chem. Commun.","2016","7","7","1421","","10.1039/C6MD00262E","","","0.71073","MoKα","","0.0612","0.0467","","","0.0793","0.0832","","","","","","1.078","","","","has coordinates","185074","2020-10-21","18:00:00",""
"7119184","11.735","0.0005","9.4232","0.0005","18.5619","0.001","90","","102.544","0.002","90","","2003.6","0.17","150","2","150","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C23 H28 O5 -","- C23 H28 O5 -","- C92 H112 O20 -","4","1","","Herdman, Christine A.; Strecker, Tracy E.; Tanpure, Rajendra P.; Chen, Zhi; Winters, Alex; Gerberich, Jeni; Liu, Li; Hamel, Ernest; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of benzocyclooctene-based and indene-based anticancer agents that function as inhibitors of tubulin polymerization","Med. Chem. Commun.","2016","7","12","2418","","10.1039/C6MD00459H","","","0.71073","MoKα","","0.0879","0.0541","","","0.1131","0.1267","","","","","","1.025","","","","has coordinates","190226","2020-10-21","18:00:00",""
"7119185","16.641","0.0012","11.1239","0.0008","20.557","0.0013","90","","90","","90","","3805.4","0.5","150","2","150","2","","","","","","","","3","P b c a","-P 2ac 2ab","61","","","","- C22 H26 O5 -","- C22 H26 O5 -","- C176 H208 O40 -","8","1","","Herdman, Christine A.; Strecker, Tracy E.; Tanpure, Rajendra P.; Chen, Zhi; Winters, Alex; Gerberich, Jeni; Liu, Li; Hamel, Ernest; Mason, Ralph P.; Chaplin, David J.; Trawick, Mary Lynn; Pinney, Kevin G.","Synthesis and biological evaluation of benzocyclooctene-based and indene-based anticancer agents that function as inhibitors of tubulin polymerization","Med. Chem. Commun.","2016","7","12","2418","","10.1039/C6MD00459H","","","0.71073","MoKα","","0.0476","0.0365","","","0.0902","0.0964","","","","","","1.029","","","","has coordinates","190226","2020-10-21","18:00:00",""
"7119186","14.181","0.002","12.844","0.0009","11.3534","0.0008","90","","105.364","0.008","90","","1994","0.4","223","2","223","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C20 H27 Cl2 N3 O2 -","- C20 H27 Cl2 N3 O2 -","- C80 H108 Cl8 N12 O8 -","4","1","","Wenker, Yvonne; Soeberdt, Michael; Daniliuc, Constantin; Ständer, Sonja; Schepmann, Dirk; Wünsch, Bernhard","Synthesis and pharmacological evaluation of conformationally restricted κ-opioid receptor agonists","Med. Chem. Commun.","2016","7","12","2368","","10.1039/C6MD00441E","","","1.54178","CuKα","","0.0397","0.0368","","","0.0935","0.0959","","","","","","1.04","","","","has coordinates","190225","2020-10-21","18:00:00",""