# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-10-04T04:08:12+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 'Acta crystallographica. Section D, Biological crystallography') 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
"2311622","12.496","0.0015","15.645","0.0014","35.653","0.003","90","","90","","90","","6970.2","1.2","5","","5","","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","Cyclosporine A","(E)-14,17,26,32-tetrabutyl-5-ethyl-8-(1-hydroxy-2-methylhex-4-enyl)- 1,3,9,12,15,18,20,23,27-nonamethyl-11,29-dipropyl- 1,3,6,9,12,15,18,21,24,27,30-undecaazacyclodotriacontan- 2,4,7,10,13,16,19,22,25,28,31-undecaone","","- C62 H112.5 N11 O12.75 -","- C62 H112.507 N11 O12.7535 -","- C248 H450.028 N44 O51.014 -","4","1","DZ5137","Johnas, S. K. J.; Dittrich, B.; Meents, A.; Messerschmidt, M.; Weckert, E. F.","Charge-density study on cyclosporine A.","Acta crystallographica. Section D, Biological crystallography","2009","65","Pt 3","284","293","10.1107/S0907444908040602","","","0.6261","monochromatedsynchrotronradiation","","0.025","0.0246","","","","0.0571","","","","","","3.6987","","","","has coordinates","246036","2020-10-21","18:00:00",""
"2311623","13.23","0.002","18.197","0.004","16.126","0.004","90","","108.65","0.02","90","","3678.4","1.4","297","","297","","","","","","","","","6","P 1 21/n 1","-P 2yn","14","","","","- C26 H44 N8 O14 Ru S -","- C26 H24 N8 O14 Ru S -","- C104 H96 N32 O56 Ru4 S4 -","4","1","","Faham, S.; Day, M. W.; Connick, W. B.; Crane, B. R.; Di Bilio, A. J.; Schaefer, W. P.; Rees, D. C.; Gray, H. B.","Structures of ruthenium-modified Pseudomonas aeruginosa azurin and [Ru(2,2'-bipyridine)2(imidazole)2]SO4 x 10H2O.","Acta crystallographica. Section D, Biological crystallography","1999","55","Pt 2","379","385","10.1107/s0907444998010464","","","0.7107","MoKα","","0.0907","0.0907","","0.17","0.17","","","","3.53","3.53","3.53","","","","","has coordinates","246037","2020-10-21","18:00:00",""