# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-15T03:41:30+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 = 72 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
"2311081","7.578","0.012","11.176","0.002","13.991","0.013","90","","93.08","0.06","90","","1183","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.","<i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector","Acta Crystallographica Section A","2016","72","2","236","242","10.1107/S2053273315022500","","","0.02508","electron","","0.2803","0.2545","","","0.5435","0.5564","","","","","","2.113","","","","has coordinates,has Fobs","301809","2025-08-19","19:04:02",""
"2311082","7.303","0.011","11.693","0.002","7.33","0.03","90","","113.68","0.14","90","","573","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C24 H20 N4 O8 -","4","1","","van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.","<i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector","Acta Crystallographica Section A","2016","72","2","236","242","10.1107/S2053273315022500","","","0.02508","electron","","0.3459","0.3026","","","0.6088","0.6385","","","","","","2.27","","","","has coordinates,has Fobs","301809","2025-08-19","19:04:02",""
"2311083","7.576","0.012","11.188","0.002","13.967","0.013","90","","87.03","0.06","90","","1182","2","293","2","293","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","","van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.","<i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector","Acta Crystallographica Section A","2016","72","2","236","242","10.1107/S2053273315022500","","","0.02508","electron","","0.4316","0.4054","","","0.698","0.7106","","","","","","2.507","","","","has coordinates,has Fobs","301809","2025-08-19","19:04:02",""
"2311084","7.41","0.03","11.692","0.002","7.377","0.011","90","","114.45","0.14","90","","582","3","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C24 H20 N4 O8 -","4","1","","van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.","<i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector","Acta Crystallographica Section A","2016","72","2","236","242","10.1107/S2053273315022500","","","0.02508","electron","","0.4019","0.3371","","","0.6328","0.6754","","","","","","2.216","","","","has coordinates,has Fobs","301809","2025-08-19","19:04:02",""
"2311085","7.68","","11.44","","13.92","","90","","91.22","","90","","1222.72","","293","2","293","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C15 H12 N2 O -","- C15 H12 N2 O -","- C60 H48 N8 O4 -","4","1","TD5026","van Genderen, E.; Clabbers, M. T. B.; Das, P. P.; Stewart, A.; Nederlof, I.; Barentsen, K. C.; Portillo, Q.; Pannu, N. S.; Nicolopoulos, S.; Gruene, T.; Abrahams, J. P.","<i>Ab initio</i> structure determination of nanocrystals of organic pharmaceutical compounds by electron diffraction at room temperature using a Timepix quantum area direct electron detector","Acta Crystallographica Section A","2016","72","2","236","242","10.1107/S2053273315022500","","","0.02508","electron","","0.389","0.389","","","0.369","0.369","","","1.366","","","","","","","has coordinates,has Fobs","181466","2020-10-21","18:00:00",""
"2311086","5.578","0.0006","5.578","0.0006","4.686","0.0007","90","","90","","90","","145.8","0.03","293","2","293","2","","","","","","","","4","P -4 21 m","P -4 2ab","113","","","","- C H4 N2 O -","- C H4 N2 O -","- C2 H8 N4 O2 -","2","0.25","","Hoser, Anna A.; Madsen, Anders Ø.","Dynamic quantum crystallography: lattice-dynamical models refined against diffraction data. I. Theory","Acta Crystallographica Section A","2016","72","2","206","214","10.1107/S2053273315024699","","","0.5996","","","0.0512","0.0406","","","0.158","0.1581","","","","","","1.267","","","","has coordinates","301809","2025-08-19","19:04:02",""