# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T22:03:51+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 'Acta Crystallographica Section A') AND volume = 76 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
"2311101","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0253","0.0233","","","0.0622","0.0633","","","","","","1.144","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311102","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0326","0.0305","","","0.082","0.082","","","","","","2.291","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311103","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.0311","0.0291","","","0.0786","0.0795","","","","","","1.435","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311104","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.018","0.018","","","","0.038","","","","","","1.146","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311105","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.021","0.021","","","","0.048","","","","","","1.442","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""
"2311106","5.9534","0.0005","12.2772","0.001","5.7882","0.0005","90","","90","","90","","423.07","0.06","123","2","123","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","AE5068","Sovago, Ioana; Hoser, Anna A.; Madsen, Anders Ø.","A combined model of electron density and lattice dynamics refined against elastic diffraction data. Thermodynamic properties of crystalline <small>L</small>-alanine","Acta Crystallographica Section A","2020","76","1","32","44","10.1107/S205327331901355X","","x-ray","0.71073","MoKα","","0.022","0.022","","","","0.049","","","","","","1.476","","","","has coordinates,has Fobs","247887","2020-10-21","18:00:00",""