# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-05-18T15:48:30+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 'International Journal of Biological Macromolecules') AND volume = 64 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
"1513210","9.4126","0.0014","14.233","0.002","37.401","0.005","90","","90","","90","","5010.6","1.2","291","2","291","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C72 H114 N0 O73 -","- C72 H114 O73 -","- C144 H228 O146 -","2","0.5","","Ivanova, Bojidarka; Spiteller, Michael","Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study","International Journal of Biological Macromolecules","2014","64","","383","391","10.1016/j.ijbiomac.2013.12.026","","","0.71073","MoKα","","0.0898","0.0646","","","0.1564","0.1695","","","","","","1.12","","","","has coordinates","202445","2020-10-21","18:00:00",""
"1513211","15.1625","0.0012","10.255","0.0008","20.9687","0.0017","90","","110.479","0.003","90","","3054.4","0.4","200","2","200","2","","","","","","","","3","P 1 21 1","P 2yb","4","","","","- C43 H70 O39 -","- C43 H70 O39 -","- C86 H140 O78 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study","International Journal of Biological Macromolecules","2014","64","","383","391","10.1016/j.ijbiomac.2013.12.026","","","0.71073","MoKα","","0.1089","0.0957","","","0.26","0.279","","","","","","1.188","","","","has coordinates","202445","2020-10-21","18:00:00",""
"1513212","15.1417","0.0013","10.184","0.001","20.937","0.002","90","","110.926","0.003","90","","3015.6","0.5","198","2","198","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C40 H70 N0 O40 -","- C43 H70 O40 -","- C86 H140 O80 -","2","1","","Ivanova, Bojidarka; Spiteller, Michael","Macromolecular ensembles of cyclodextrin crystallohydrates and clathrates ‒ experimental and theoretical gas ‒ and condense phase study","International Journal of Biological Macromolecules","2014","64","","383","391","10.1016/j.ijbiomac.2013.12.026","","","0.71073","MoKα","","0.0945","0.0852","","","0.2413","0.2555","","","","","","1.085","","","","has coordinates","202445","2020-10-21","18:00:00",""