# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-07-01T20:39:06+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 'Journal of Pharmaceutical Sciences') AND volume = 104 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
"1548358","6.315","0.0002","9.3352","0.0003","11.1622","0.0005","104.386","0.002","95.464","0.002","107.774","0.002","596.44","0.04","173","2","173","2","","","","","","","","4","P 1","P 1","1","2-methoxyestradiol chloroform solvate 1:2","17beta-2-methoxyestra-1,3,5(10)-triene-3,17-diol chloroform solvate 1:2'","","- C21 H28 Cl6 O3 -","- C21 H28 Cl6 O3 -","- C21 H28 Cl6 O3 -","1","1","","Mino R. Caira; Susan A. Bourne; Halima Samsodien","Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate","Journal of Pharmaceutical Sciences","2015","104","","3418","3425","10.1002/jps.24545","","","0.71073","MoKα","","0.037","0.0296","","","0.0682","0.0715","","","","","","1.023","","","","has coordinates","208164","2020-10-21","18:00:00",""
"1548359","6.254","0.0002","11.2919","0.0003","11.5524","0.0004","90","","97.355","0.001","90","","809.11","0.04","113","2","113","2","","","","","","","","3","P 1 21 1","P 2yb","4","2-methoxyestradiol","17beta-2-methoxyestra-1,3,5(10)-triene-3,17-diol","","- C19 H26 O3 -","- C19 H26 O3 -","- C38 H52 O6 -","2","1","","Mino R. Caira; Susan A. Bourne; Halima Samsodien","Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate","Journal of Pharmaceutical Sciences","2015","104","","3418","3425","10.1002/jps.24545","","","0.71073","MoKα","","0.0523","0.0366","","","0.0776","0.0842","","","","","","1.006","","","","has coordinates","203871","2020-10-21","18:00:00",""
"1548360","9.499","0.0013","10.5848","0.0015","43.643","0.006","90","","90","","90","","4388.1","1.1","173","2","173","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","none","2-methoxyestradiol-3,17-O,O-bis-sulfamate hemihydrate","","- C19 H29 N2 O7.5 S2 -","- C19 H28 N2 O7.5 S2 -","- C152 H224 N16 O60 S16 -","8","2","","Mino R. Caira; Susan A. Bourne; Halima Samsodien","Thermal, X-ray Structural, and Dissolution Characteristics of Solid Forms Derived from the Anticancer Agents 2-Methoxyestradiol and 2-Methoxyestradiol-3,17-O,O-Bis-Sulfamate","Journal of Pharmaceutical Sciences","2015","104","","3418","3425","10.1002/jps.24545","","","0.71073","MoKα","","0.0698","0.0613","","","0.1278","0.1307","","","","","","1.18","","","","has coordinates,has disorder","216710","2020-10-21","18:00:00",""