# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T22:53:46+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 = 49 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
"1505680","8.8996","0.0004","12.0769","0.0004","10.5206","0.0003","90","","90.695","0.002","90","","1130.67","0.07","293","2","293","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C23 H30 O7 -","- C23 H30 O7 -","- C46 H60 O14 -","2","1","","Luo, Weiming; Yu, Qian-Sheng; Kulkarni, Santosh S.; Parrish, Damon A.; Holloway, Harold W.; Tweedie, David; Shafferman, Avigdor; Lahiri, Debomoy K.; Brossi, Arnold; Greig, Nigel H.","Inhibition of human acetyl- and butyrylcholinesterase by novel carbamates of (-)- and (+)-tetrahydrofurobenzofuran and methanobenzodioxepine.","Journal of medicinal chemistry","2006","49","7","2174","2185","10.1021/jm050578p","","","1.54178","CuKα","","0.0548","0.0496","","","0.1202","0.1245","","","","","","1.01","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505681","11.054","0.007","20.276","0.012","21.194","0.013","90","","90","","90","","4750","5","293","2","293","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C45 H58 Br2 N2 O15 -","- C45 H54 Br2 N2 O15 -","- C180 H216 Br8 N8 O60 -","4","1","","Jiang, Yi; Alcaraz, Ana A.; Chen, Jian-Min; Kobayashi, Hisayoshi; Lu, Yang J.; Snyder, James P.","Diastereomers of dibromo-7-epi-10-deacetylcephalomannine: crowded and cytotoxic taxanes exhibit halogen bonds.","Journal of medicinal chemistry","2006","49","6","1891","1899","10.1021/jm0509243","","","0.71073","MoKα","","0.1251","0.0528","","","0.1005","0.1229","","","","","","0.923","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1505682","10.218","0.0019","12.489","0.002","12.62","0.002","106.208","0.003","112.512","0.003","104.97","0.003","1302","0.4","128","2","128","2","","","","","","","","7","P -1","-P 1","2","","","","- C27 H25 Au N O5 P S -","- C27 H25 Au N O5 P S -","- C54 H50 Au2 N2 O10 P2 S2 -","2","1","","Gunatilleke, Shamila S.; Barrios, Amy M.","Inhibition of lysosomal cysteine proteases by a series of Au(I) complexes: a detailed mechanistic investigation.","Journal of medicinal chemistry","2006","49","13","3933","3937","10.1021/jm060158f","","x-ray","0.71073","MoKα","","0.0533","0.0419","","","0.0866","0.0897","","","","","","1.071","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1505683","7.8903","0.0006","9.5995","0.0003","14.1039","0.0005","78.964","0.003","87.859","0.004","86.905","0.004","1046.59","0.09","153","2","100","2","","","","","","","","6","P -1","-P 1","2","(p-Cym)Ru(N-ImMe)2Cl.H2O","","","- C18 H28 Cl2 N4 O Ru -","- C18 H28 Cl2 N4 O Ru -","- C36 H56 Cl4 N8 O2 Ru2 -","2","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0291","0.0224","","","0.0567","0.0602","","","","","","1.217","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505684","8.563","0.007","13.044","0.011","13.243","0.003","110.87","0.03","98.93","0.04","95.91","0.06","1345.2","1.7","100","2","100","2","","","","","","","","5","P -1","-P 1","2","[Ru(p-cymene)(bimid)2Cl]Cl","","","- C24 H38 Cl2 N4 Ru -","- C24 H38 Cl2 N4 Ru -","- C48 H76 Cl4 N8 Ru2 -","2","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0803","0.0512","","","0.1297","0.1486","","","","","","1.248","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505685","8.4268","0.0004","13.5307","0.0008","19.9593","0.0011","90","","91.305","0.004","90","","2275.2","0.2","140","2","140","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C18 H24 B2 F8 N6 Ru -","- C18 H24 B2 F8 N6 Ru -","- C72 H96 B8 F32 N24 Ru4 -","4","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0371","0.0273","","","0.0651","0.0678","","","","","","0.987","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505686","12.4321","0.001","12.9605","0.0011","13.0867","0.0013","90.149","0.008","117.791","0.006","90.948","0.006","1865","0.3","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C34 H52 Cl4 N4 Ru2 -","- C34 H52 Cl4 N4 Ru2 -","- C68 H104 Cl8 N8 Ru4 -","2","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0523","0.0356","","","0.0935","0.1257","","","","","","1.22","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1505687","13.3895","0.0017","12.5339","0.0009","18.671","0.002","90","","104.039","0.009","90","","3039.8","0.6","100","2","100","2","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C36 H34 B Cl N4 Ru -","- C36 H34 B Cl N4 Ru -","- C144 H136 B4 Cl4 N16 Ru4 -","4","1","","Vock, Carsten A.; Scolaro, Claudine; Phillips, Andrew D.; Scopelliti, Rosario; Sava, Gianni; Dyson, Paul J.","Synthesis, characterization, and in vitro evaluation of novel ruthenium(II) eta6-arene imidazole complexes.","Journal of medicinal chemistry","2006","49","18","5552","5561","10.1021/jm060495o","","","0.71073","MoKα","","0.0762","0.0473","","","0.1055","0.1367","","","","","","1.26","","","","has coordinates","176729","2020-10-21","18:00:00",""