# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-09T08:58:28+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 'Faraday Discussions') AND volume = 122 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
"1516479","11.233","0.003","6.544","0.001","11.231","0.003","90","","95.89","0.02","90","","821.2","0.3","100","1","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin","2-(acetoyloxy)benzoic acid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas","In situ neutron diffraction studies of single crystals and powders during microwave irradiation","Faraday Discussions","2003","122","","363","379","10.1039/b203379h","","","","neutron","","0.0958","0.0958","","","0.2369","0.2369","","","","","","1.468","","","","has coordinates","274633","2022-04-22","15:26:33",""
"1516480","11.233","0.003","6.544","0.001","11.231","0.003","90","","95.89","0.02","90","","821.2","0.3","100","1","100","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin","2-(acetoyloxy)benzoic acid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas","In situ neutron diffraction studies of single crystals and powders during microwave irradiation","Faraday Discussions","2003","122","","363","379","10.1039/b203379h","","","","neutron","","0.1302","0.1302","","","0.309","0.309","","","","","","1.764","","","","has coordinates","274633","2022-04-22","15:26:34",""
"1516481","11.233","0.003","6.544","0.001","11.231","0.003","90","","95.89","0.02","90","","821.2","0.3","100","1","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin","2-(acetoyloxy)benzoic acid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas","In situ neutron diffraction studies of single crystals and powders during microwave irradiation","Faraday Discussions","2003","122","","363","379","10.1039/b203379h","","","","neutron","","0.0954","0.0954","","","0.2433","0.2433","","","","","","1.424","","","","has coordinates","274633","2022-04-22","15:26:34",""
"1516482","11.233","0.003","6.544","0.001","11.231","0.003","90","","95.89","0.02","90","","821.2","0.3","100","1","200","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","Aspirin","2-(acetoyloxy)benzoic acid","","- C9 H8 O4 -","- C9 H8 O4 -","- C36 H32 O16 -","4","1","","Harrison, Andrew; Ibberson, Richard; Robb, Graeme; Whittaker, Gavin; Wilson, Chick; Youngson, Douglas","In situ neutron diffraction studies of single crystals and powders during microwave irradiation","Faraday Discussions","2003","122","","363","379","10.1039/b203379h","","","","neutron","","0.1127","0.1127","","","0.2678","0.2678","","","","","","1.452","","","","has coordinates","274633","2022-04-22","15:26:34",""