# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T02:34:25+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 = 21 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
"1546762","9.411","0.003","14.986","0.004","19.855","0.006","90","","90","","90","","2800.2","1.4","100.2","","100","","","","","","","","","5","P b c a","-P 2ac 2ab","61","","cis-2-Nitro-N-(1-oxidotetrahydro-2H-thiopyran-4-yl)benzenesulfonamide","","- C11 H14 N2 O5 S2 -","- C11 H14 N2 O5 S2 -","- C88 H112 N16 O40 S16 -","8","1","","Mizojiri, Ryo; Takami, Kazuaki; Ito, Tatsuya; Maeda, Hiroyuki; Yamano, Mitsuhisa; Kawamoto, Tetsuji","Efficient and Stereoselective Syntheses of Isomerically Pure 4-Aminotetrahydro-2H-thiopyran 1-Oxide Derivatives","Organic Process Research & Development","2017","21","7","1034","","10.1021/acs.oprd.7b00147","","","1.5419","CuKα","","0.0439","0.0328","","","0.0834","0.1009","","","","","","0.177","","","","has coordinates","199561","2020-10-21","18:00:00",""
"1547550","8.6067","0.0001","19.0255","0.0002","28.0976","0.0002","90","","90","","90","","4600.89","0.08","150","2","150","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C43 H65 F N6 O10 -","- C43 H65 F N6 O10 -","- C172 H260 F4 N24 O40 -","4","1","","Zhong, Zhihong; Du, Chong; Luo, Zhonghua; Song, Shuaihua; Liao, Gaohong; Yao, Jia; Goldmann, Siegfried; Wang, Zhongqing","Identification, Characterization, Synthesis, and Strategy for Minimization of Potential Impurities Observed in the Synthesis of Solithromycin","Organic Process Research & Development","2017","21","9","1371","","10.1021/acs.oprd.7b00201","","","1.54178","CuKα","","0.0397","0.0342","","","0.0827","0.0862","","","","","","1.051","","","","has coordinates","201700","2020-10-21","18:00:00",""
"1548361","5.3618","0.0006","15.15","0.002","10.5728","0.0011","90","","92.826","0.009","90","","857.8","0.17","100","0.1","100","0.1","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C8 H12 O4 -","- C8 H12 O4 -","- C32 H48 O16 -","4","1","","Gérardy, Romaric; Winter, Marc; Horn, Clemens R.; Vizza, Alessandra; Van Hecke, Kristof; Monbaliu, Jean-Christophe M.","Continuous-Flow Preparation of γ-Butyrolactone Scaffolds from Renewable Fumaric and Itaconic Acids under Photosensitized Conditions","Organic Process Research & Development","2017","21","12","2012","","10.1021/acs.oprd.7b00314","","x-ray","1.54184","CuKα","","0.099","0.0756","","","0.1691","0.1956","","","","","","1.099","","","","has coordinates,has disorder","204879","2020-10-21","18:00:00",""