# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-03-13T22:48:57+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 'Molecular pharmaceutics') AND volume = 10 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
"1512142","6.617","0.0003","19.6403","0.001","20.1853","0.0009","90","","90","","90","","2623.3","0.2","173","2","173","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C30 H35 N O5 -","- C30 H35 N O5 -","- C120 H140 N4 O20 -","4","1","","Childs, Scott L.; Kandi, Praveen; Lingireddy, Sreenivas Reddy","Formulation of a danazol cocrystal with controlled supersaturation plays an essential role in improving bioavailability.","Molecular pharmaceutics","2013","10","8","3112","3127","10.1021/mp400176y","","","1.54178","CuKα","","0.0409","0.0384","","","0.0996","0.1016","","","","","","1.045","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513097","25.3872","0.0006","13.6881","0.0003","44.9208","0.0012","90","","103.268","0.002","90","","15193.4","0.6","150","0.1","150","0.1","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C42 H86 N28 O36 -","- C42 H42 N28 O14 -","- C336 H336 N224 O112 -","8","2","","Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu","The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.","Molecular pharmaceutics","2013","10","12","4698","4705","10.1021/mp400529m","","","1.5418","CuKα","","0.0979","0.072","","","0.1947","0.2091","","","","","","1.183","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1513098","35.5457","0.0006","35.5457","0.0006","29.5785","0.0008","90","","90","","90","","37372.3","1.3","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C54 H107 Cl2 N35 O40 -","- C54 H55 Cl2 N35 O37 -","- C864 H880 Cl32 N560 O592 -","16","","","Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu","The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.","Molecular pharmaceutics","2013","10","12","4698","4705","10.1021/mp400529m","","","1.54184","CuKα","","0.1433","0.1123","","","0.2241","0.2377","","","","","","1.071","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1513100","40.8323","0.0004","40.8323","0.0004","23.3137","0.0005","90","","90","","90","","38870.4","1","150","2","150","2","","","","","","","","5","I 41/a","-I 4ad","88","","","","- C54 H113 Cl2 N35 O43 -","- C54 H55 Cl2 N35 O39 -","- C864 H880 Cl32 N560 O624 -","16","","","Ma, Wen-Juan; Chen, Jia-Mei; Jiang, Long; Yao, Jia; Lu, Tong-Bu","The Delivery of Triamterene by Cucurbit[7]uril: Synthesis, Structures and Pharmacokinetics Study.","Molecular pharmaceutics","2013","10","12","4698","4705","10.1021/mp400529m","","","1.54184","CuKα","","0.1686","0.1354","","","0.2449","0.2592","","","","","","1.097","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""