# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T12:12:18+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 = 73 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
"2311087","5.928","","12.26","","5.794","","90","","90","","90","","421.092","","293","2","293","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C3 H7 N O2 -","- C3 H7 N O2 -","- C12 H28 N4 O8 -","4","1","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.711","MoKα","","0.0312","0.0288","","","0.0874","0.0897","","","","","","0.742","","","","has coordinates","301809","2025-08-19","19:04:02",""
"2311088","7.8248","0.0002","5.9349","0.0001","8.0997","0.0002","90","","114.441","0.002","90","","342.438","0.015","293","2","293","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.71073","MoKα","","0.0517","0.0318","","","0.0844","0.0852","","","","","","0.25","","","","has coordinates","301809","2025-08-19","19:04:02",""
"2311089","8.262","","8.9","","8.923","","90","","90","","90","","656.124","","122","2","122","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C5 H12 O5 -","- C5 H12 O5 -","- C20 H48 O20 -","4","1","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.71073","MoKα","","0.0387","0.0325","","","0.0703","0.0712","","","","","","1.642","","","","has coordinates","301809","2025-08-19","19:04:02",""
"2311090","7.808","0.006","5.943","0.002","8.097","0.005","90","","114.4","0.05","90","","342.2","0.4","80","2","80","2","","","","","","","","2","P 1 21/c 1","-P 2ybc","14","","","","- C10 H8 -","- C10 H8 -","- C20 H16 -","2","0.5","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. II. Applications to <small>L</small>-alanine, naphthalene and xylitol","Acta Crystallographica Section A","2017","73","2","102","114","10.1107/S2053273316018994","","","0.8397","","","0.0461","0.0416","","","0.1155","0.1227","","","","","","1.056","","","","has coordinates","301809","2025-08-19","19:04:02",""