# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-16T12:28:59+02:00
# 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 'Molecular pharmaceutics') AND volume = 18 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
"1560809","21.1662","0.0002","7.2822","0.0001","23.8529","0.0002","90","","95.675","0.001","90","","3658.58","0.07","100","","100","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C35 H36 Cl N5 O16 -","- C35 H36 Cl N5 O16 -","- C140 H144 Cl4 N20 O64 -","4","1","","Devarapalli, Ramesh; Indukuri, Anjaneyaraju; Bollineni, Manjunath; Mondal, Amit; Reddy, C. Malla; Chennuru, Ramanaiah","Investigation of Poor Solubility of a Salt-Cocrystal Hydrate: A Case Study of the Common-Ion Effect in Betrixaban, an Anticoagulant Drug.","Molecular pharmaceutics","2021","18","3","1138","1149","10.1021/acs.molpharmaceut.0c01045","","","1.54184","CuKα","","0.0432","0.0358","","","0.0865","0.0894","","","","","","1.039","","","","has coordinates","262433","2021-03-04","02:36:48",""
"1560810","10.2717","0.0003","14.008","0.0004","19.5347","0.0005","73.184","0.002","75.634","0.002","89.646","0.002","2599.91","0.13","100","","100","","","","","","","","","5","P -1","-P 1","2","","","","- C27 H26 Cl N5 O7 -","- C27 H26 Cl N5 O7 -","- C108 H104 Cl4 N20 O28 -","4","2","","Devarapalli, Ramesh; Indukuri, Anjaneyaraju; Bollineni, Manjunath; Mondal, Amit; Reddy, C. Malla; Chennuru, Ramanaiah","Investigation of Poor Solubility of a Salt-Cocrystal Hydrate: A Case Study of the Common-Ion Effect in Betrixaban, an Anticoagulant Drug.","Molecular pharmaceutics","2021","18","3","1138","1149","10.1021/acs.molpharmaceut.0c01045","","","1.54184","CuKα","","0.0347","0.0311","","","0.0787","0.0816","","","","","","1.034","","","","has coordinates","262434","2021-03-04","02:37:54",""
"1560811","10.9239","0.0013","13.7852","0.0015","14.6224","0.0016","116.386","0.01","91.271","0.008","108.043","0.006","1842.2","0.4","100","","100","","","","","","","","","6","P -1","-P 1","2","","","","- C39 H48 Cl2 N4 O4 S -","- C39 H48 Cl2 N4 O4 S -","- C78 H96 Cl4 N8 O8 S2 -","2","1","","Gui, Yue; McCann, Erin C.; Yao, Xin; Li, Yuhui; Jones, Karen J.; Yu, Lian","Amorphous Drug-Polymer Salt with High Stability under Tropical Conditions and Fast Dissolution: The Case of Clofazimine and Poly(acrylic acid).","Molecular pharmaceutics","2021","18","3","1364","1372","10.1021/acs.molpharmaceut.0c01180","","x-ray","1.54178","CuKα","K-L~3~","0.0815","0.053","","","0.1208","0.1347","","","","","","1.032","","","","has coordinates,has disorder","262435","2021-03-04","02:38:19",""