# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-28T06:25:04+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 = 65 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
"1566281","13.1015","0.0003","13.9905","0.0003","14.3129","0.0003","103.697","0.0018","99.4485","0.0018","117.548","0.002","2142.83","0.1","160","2","160","2","","","","","","","","6","P -1","-P 1","2","","N-(9-(2-(4-(tert-butoxycarbonyl)piperazine-1-carbonyl)phenyl)-6- (diethylamino)-3H-xanthen-3-ylidene)-N-ethylethanaminium hexafluorophosphate 1.5 diethyl ether solvate","","- C43 H62 F6 N4 O5.5 P -","- C37 H47 F6 N4 O4 P -","- C74 H94 F12 N8 O8 P2 -","2","1","","Guillou, Amaury; Nisli, Eda; Klingler, Simon; Linden, Anthony; Holland, Jason P.","Photoactivatable Fluorescent Tags for Dual-Modality Positron Emission Tomography Optical Imaging.","Journal of medicinal chemistry","2022","65","1","811","823","10.1021/acs.jmedchem.1c01899","","x-ray","1.54184","CuKα","","0.0482","0.0448","","","0.1274","0.1302","","","","","","1.076","","","","has coordinates","272513","2022-02-04","00:34:31",""
"1566544","16.1127","0.0006","8.9758","0.0003","19.2463","0.0007","90","","103.825","0.0013","90","","2702.85","0.17","100","2","100","2","","","","","","","","7","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Br Cl Cu N6 O2 -","- C28 H28 Br Cl Cu N6 O2 -","- C112 H112 Br4 Cl4 Cu4 N24 O8 -","4","1","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.0394","0.0287","","","0.0652","0.0709","","","","","","1.017","","","","has coordinates","273294","2022-03-04","00:22:03",""
"1566545","15.0147","0.0007","34.2629","0.0015","10.2999","0.0004","90","","107.565","0.003","90","","5051.7","0.4","125","2","125","2","","","","","","","","6","P 1 21/c 1","-P 2ybc","14","","","","- C28 H28 Cl Cu N6 O1.5 -","- C28 H28 Cl Cu N6 O1.5 -","- C224 H224 Cl8 Cu8 N48 O12 -","8","2","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.1017","0.0472","","","0.1058","0.1203","","","","","","1.019","","","","has coordinates","273295","2022-03-04","00:22:32",""
"1566546","7.2313","0.001","9.2604","0.0013","14.1201","0.0019","78.16","0.006","77.214","0.006","70.423","0.006","859.9","0.2","100","2","100","2","","","","","","","","6","P 1","P 1","1","","","","- C32 H39 Cl3 Cu N8 O3 -","- C32 H39 Cl3 Cu N8 O3 -","- C32 H39 Cl3 Cu N8 O3 -","1","1","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.1154","0.0753","","","0.15","0.1779","","","","","","1.057","","","","has coordinates","273296","2022-03-04","00:22:50",""
"1566547","9.7632","0.0013","15.6735","0.0015","19.622","0.002","87.172","0.003","75.925","0.005","85.319","0.004","2901.4","0.6","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C60 H63 Br2 Cl N14 Ni O4 -","- C60 H63 Br2 Cl N14 Ni O4 -","- C120 H126 Br4 Cl2 N28 Ni2 O8 -","2","1","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.0436","0.0331","","","0.0778","0.0833","","","","","","1.022","","","","has coordinates","273297","2022-03-04","00:23:12",""
"1566548","37.667","0.006","10.5159","0.0016","19.22","0.003","90","","118.948","0.004","90","","6661.9","1.8","200","2","200","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C33 H39 Cl Cu N8 O3 -","- C33 H39 Cl Cu N8 O3 -","- C264 H312 Cl8 Cu8 N64 O24 -","8","1","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.0884","0.0457","","","0.0931","0.1086","","","","","","1.011","","","","has coordinates,has disorder","273298","2022-03-04","00:23:39",""
"1566549","12.22","0.002","12.7328","0.0019","16.424","0.0015","76.485","0.005","82.598","0.005","67.698","0.008","2296.6","0.6","100","2","100","2","","","","","","","","5","P -1","-P 1","2","","","","- C26 H23 Br N6 O -","- C26 H23 Br N6 O -","- C104 H92 Br4 N24 O4 -","4","2","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.0661","0.0373","","","0.0853","0.0928","","","","","","1.043","","","","has coordinates","273299","2022-03-04","00:24:04",""
"1566550","7.7366","0.0008","7.9072","0.0008","10.7395","0.0011","99.872","0.004","102.594","0.004","113.64","0.004","562.21","0.1","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C12 H16 N2 O2 -","- C12 H16 N2 O2 -","- C24 H32 N4 O4 -","2","1","","Wittmann, Christopher; Bacher, Felix; Enyedy, Eva A.; Dömötör, Orsolya; Spengler, Gabriella; Madejski, Christian; Reynisson, Jóhannes; Arion, Vladimir B.","Highly Antiproliferative Latonduine and Indolo[2,3-<i>c</i>]quinoline Derivatives: Complex Formation with Copper(II) Markedly Changes the Kinase Inhibitory Profile.","Journal of medicinal chemistry","2022","65","3","2238","2261","10.1021/acs.jmedchem.1c01740","","","0.71073","MoKα","","0.0616","0.0436","","","0.1149","0.1232","","","","","","1.083","","","","has coordinates","273300","2022-03-04","00:24:27",""
"1566736","5.5437","0.0002","8.4551","0.0003","52.42","0.003","90","","90","","90","","2457.06","0.19","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C15 H14 O3 -","- C15 H14 O3 -","- C120 H112 O24 -","8","2","","Müller, Christoph; Gleixner, Jakob; Tahk, Maris-Johanna; Kopanchuk, Sergei; Laasfeld, Tõnis; Weinhart, Michael; Schollmeyer, Dieter; Betschart, Martin U.; Lüdeke, Steffen; Koch, Pierre; Rinken, Ago; Keller, Max","Structure-Based Design of High-Affinity Fluorescent Probes for the Neuropeptide Y Y<sub>1</sub> Receptor.","Journal of medicinal chemistry","2022","65","6","4832","4853","10.1021/acs.jmedchem.1c02033","","","1.54178","CuKα","","0.052","0.0466","","","0.1188","0.1256","","","","","","1.091","","","","has coordinates","274289","2022-04-03","23:29:08",""