# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-12-11T13:04:48+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 'Organic Process Research & Development') AND volume = 22 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
"1552848","7.52","","38.53","","8.44","","90","","107.82","","90","","2328.13","","93","","93","","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C104 H100 Cl4 N8 O12 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","electron","0.0335","electron","","","","","","","","","","","","","","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552849","4.99","","11.92","","22.95","","90","","90","","90","","1365.08","","293","","293","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","electron","0.0335","electron","","","","","","","","","","","","","","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552850","5.045","0.0004","12.4178","0.0011","23.187","0.002","90","","90","","90","","1452.6","0.2","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C16 H21 N O2 -","- C16 H21 N O2 -","- C64 H84 N4 O8 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","","1.54184","CuKα","","0.0813","0.0672","","","0.179","0.2043","","","","","","1.028","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552851","7.627","0.001","38.007","0.004","8.5629","0.0012","90","","108.118","0.015","90","","2359.1","0.6","293","2","293","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C26 H25 Cl N2 O3 -","- C26 H25 Cl N2 O3 -","- C104 H100 Cl4 N8 O12 -","4","1","","Das, Partha P.; Mugnaioli, Enrico; Nicolopoulos, Stavros; Tossi, Camilla; Gemmi, Mauro; Galanis, Athanasios; Borodi, Gheorghe; Pop, Mihaela M.","Crystal Structures of Two Important Pharmaceuticals Solved by 3D Precession Electron Diffraction Tomography","Organic Process Research & Development","2018","22","10","1365","","10.1021/acs.oprd.8b00149","","","1.54184","CuKα","","0.1196","0.0772","","","0.2324","0.2528","","","","","","1.176","","","","has coordinates,has disorder","227489","2020-10-21","18:00:00",""
"1552852","10.0671","0.0003","10.4134","0.0003","16.284","0.0005","90","","97.398","0.001","90","","1692.89","0.09","298","2","298","2","","","","","","","","5","P 1 21 1","P 2yb","4","","","","- C20 H17 F2 N O3 -","- C20 H17 F2 N O3 -","- C80 H68 F8 N4 O12 -","4","2","","Smith, Aaron C.; Kung, Daniel W.; Shavnya, Andre; Brandt, Thomas A.; Dent, Philip D.; Genung, Nathan E.; Cabral, Shawn; Panteleev, Jane; Herr, Michael; Yip, Ka Ning; Aspnes, Gary E.; Conn, Edward L.; Dowling, Matthew S.; Edmonds, David J.; Edmonds, Ian D.; Fernando, Dilinie P.; Herrinton, Paul M.; Keene, Nandell F.; Lavergne, Sophie Y.; Li, Qifang; Polivkova, Jana; Rose, Colin R.; Thuma, Benjamin A.; Vetelino, Michael G.; Wang, Guoqiang; Weaver, John D.; Widlicka, Daniel W.; Price Wiglesworth, Kristin E.; Xiao, Jun; Zahn, Todd; Zhang, Yingxin","Evolution of the Synthesis of AMPK Activators for the Treatment of Diabetic Nephropathy: From Three Preclinical Candidates to the Investigational New Drug PF-06409577","Organic Process Research & Development","2018","22","6","681","","10.1021/acs.oprd.8b00059","","","1.54178","CuKα","","0.0362","0.0347","","","0.0876","0.0894","","","","","","1.052","","","","has coordinates","301780","2025-08-18","21:43:28",""
"1552853","5.9578","0.0003","9.7092","0.0005","10.302","0.0006","106.092","0.002","104.979","0.002","94.998","0.001","544.97","0.05","296","2","296","2","","","","","","","","5","P -1","-P 1","2","","","","- C10 H10 N2 O3 S -","- C10 H10 N2 O3 S -","- C20 H20 N4 O6 S2 -","2","1","","Luo, Zhongfeng; Liu, Tingting; Guo, Weijie; Wang, Zijia; Huang, Jingjun; Zhu, Yulin; Zeng, Zhuo","N-Acyl-5,5-dimethylhydantoin, a New Mild Acyl-Transfer Reagent in Pd Catalysis: Highly Efficient Synthesis of Functionalized Ketones","Organic Process Research & Development","2018","22","9","1188","","10.1021/acs.oprd.8b00182","","","0.71073","MoKα","","0.0516","0.047","","","0.1289","0.1351","","","","","","1.085","","","","has coordinates","301780","2025-08-18","21:43:28",""