# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T04:09:33+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 Pharmaceutical Sciences') 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
"1548352","7.512","0.002","9.462","0.003","17.198","0.005","95.387","0.005","102.271","0.005","110.101","0.005","1103","0.6","100","2","100","2","","","","","","","","6","P -1","-P 1","2","","","","- C20 H18 Cl N6 O7 S -","- C20 H18 Cl N6 O7 S -","- C40 H36 Cl2 N12 O14 S2 -","2","1","","N. Rajesh Goud; Swarupa Gangavaram; Kuthuru Suresh; Sharmistha Pal; Sulur G. Manjunatha; Sudhir Nambiar; Ashwini Nangia","Novel furosemide cocrystals and selection of high solubility drug forms","Journal of Pharmaceutical Sciences","2012","101","","664","680","10.1002/jps.22805","","","0.71073","MoKα","","0.0853","0.0735","","","0.1782","0.1874","","","","","","1.065","","","","has coordinates,has disorder","203864","2020-10-21","18:00:00",""
"1548353","7.909","0.004","9.467","0.005","12.484","0.007","100.151","0.008","95.95","0.008","97.644","0.009","904.2","0.8","298","2","298","2","","","","","","","","6","P -1","-P 1","2","","","","- C16 H16 Cl N5 O6 S -","- C16 H16 Cl N5 O6 S -","- C32 H32 Cl2 N10 O12 S2 -","2","1","","N. Rajesh Goud; Swarupa Gangavaram; Kuthuru Suresh; Sharmistha Pal; Sulur G. Manjunatha; Sudhir Nambiar; Ashwini Nangia","Novel furosemide cocrystals and selection of high solubility drug forms","Journal of Pharmaceutical Sciences","2012","101","","664","680","10.1002/jps.22805","","","0.71073","MoKα","","0.0426","0.039","","","0.1039","0.107","","","","","","1.06","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548354","12.861","0.002","14.956","0.002","11.612","0.003","100.76","0.01","106","0.01","111.387","0.008","1893.5","0.7","293.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C20 H13 F3 N4 O2 S -","- C20 H13 F3 N4 O2 S -","- C80 H52 F12 N16 O8 S4 -","4","2","","Annette Bak; Anu Gore; Evelyn Yanez; Mary Stanton; Sunita Tufekcic; Rashid Syed; Anna Akrami; Mark Rose; Sekhar Surapaneni; Tracy Bostick; Anthony King; Sesha Neervannan; Drazen Ostovic; Arun Koparkar","The co-crystal approach to improve the exposure of a water-insoluble compound: AMG 517 sorbic acid co-crystal characterization and pharmacokinetics","Journal of Pharmaceutical Sciences","2008","97","","3942","3956","10.1002/jps.21280","","","1.5418","CuKα","","","0.054","","","","0.062","","","","","","1.133","","","","has coordinates","203866","2020-10-21","18:00:00",""
"1548355","4.7197","","8.8119","","29.6402","","89","","85","","81","","1212.9","","113.1","","","","","","","","","","","6","P -1","-P 1","2","","","","- C26 H21 F3 N4 O4 S -","- C26 H21 F3 N4 O4 S -","- C52 H42 F6 N8 O8 S2 -","2","1","","Annette Bak; Anu Gore; Evelyn Yanez; Mary Stanton; Sunita Tufekcic; Rashid Syed; Anna Akrami; Mark Rose; Sekhar Surapaneni; Tracy Bostick; Anthony King; Sesha Neervannan; Drazen Ostovic; Arun Koparkar","The co-crystal approach to improve the exposure of a water-insoluble compound: AMG 517 sorbic acid co-crystal characterization and pharmacokinetics","Journal of Pharmaceutical Sciences","2008","97","","3942","3956","10.1002/jps.21280","","","1.5418","CuKα","","","0.041","","","","0.058","","","","","","0.804","","","","has coordinates","301779","2025-08-18","16:06:53",""
"1548356","13.90384","0.00058","8.58701","0.00036","8.82875","0.00045","90","","97.8549","0.0031","90","","1044.2","0.08","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","Doripenem dihydrate","","","- C15 H28 N4 O8 S2 -","- C15 H24 N4 O8 S2 -","- C30 H48 N8 O16 S4 -","2","1","","Valentina Colombo; Norberto Masciocchi; Giovanni Palmisano","Crystal Chemistry of the Antibiotic Doripenem","Journal of Pharmaceutical Sciences","2014","103","","3641","3647","10.1002/jps.24166","powder diffraction","","","CuKα","","","","","","","","","","14.4","","","","","","","has coordinates","203868","2020-10-21","18:00:00",""
"1548357","11.37522","0.00034","8.61856","0.00027","10.00122","0.00029","90","","100.369","0.0019","90","","964.49","0.05","298","","298","","","","","","","","","5","P 1 21 1","P 2yb","4","Doripenem monohydrate","","","- C15 H26 N4 O7 S2 -","- C15 H24 N4 O7 S2 -","- C30 H48 N8 O14 S4 -","2","1","","Valentina Colombo; Norberto Masciocchi; Giovanni Palmisano","Crystal Chemistry of the Antibiotic Doripenem","Journal of Pharmaceutical Sciences","2014","103","","3641","3647","10.1002/jps.24166","powder diffraction","","","CuKα","","","","","","","","","","12.9","","","","","","","has coordinates","203869","2020-10-21","18:00:00",""
"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","301779","2025-08-18","16:06:53",""
"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","301779","2025-08-18","16:06:53",""
"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",""
"5000127","9.1829","0.0008","9.6316","0.0007","47.151","0.013","90","","90","","90","","4170.32","","","","","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C37 H71 N O15 -","- C37 H71 N O15 -","- C148 H284 N4 O60 -","4","1","","Stephenson, Gregory A.; Stowell, Oseph G.; Toma, Pascal H.; Pfeiffer, Ralph R.; Byrn, Stephen R.","Solid-State Investigations of Erythromycin A Dihydrate: Structure, NMR Spectroscopy, and Hygroscopicity","Journal of Pharmaceutical Sciences","1997","86","11","1239","1244","10.1021/js9701667","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""
"5000138","15.998","0.004","21.964","0.003","8.624","0.005","90","","96.28","0.03","90","","3012.12","","","","","","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C32 H37 N O8 -","- C32 H37 N O8 -","- C128 H148 N4 O32 -","4","1","","Goldberg, Israel; Becker, Yigal","Polymorphs of Tamoxifen Citrate: Detailed Structural Characterization of the Stable Form","Journal of Pharmaceutical Sciences","1987","76","3","259","264","10.1002/jps.2600760317","","","","","","","","","","","","","","","","","","","","","has coordinates","301844","2025-08-21","10:11:30",""