# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T08:34:28+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 'Journal of Synchrotron Radiation') AND volume = 27 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
"1556544","7.56183","0.00016","6.59134","0.00014","7.23629","0.00014","90","","90","","90","","360.675","0.013","100","","100","","","","","","","","","3","P n m a","-P 2ac 2n","62","Propionitrile","Propanenitrile","","- C3 H5 N -","- C3 H5 N -","- C12 H20 N4 -","4","0.5","","Brand, Helen E. A.; Gu, Qinfen; Kimpton, Justin A.; Auchettl, Rebecca; Ennis, Courtney","Crystal structure of propionitrile (CH~3~CH~2~CN) determined using synchrotron powder X-ray diffraction","Journal of Synchrotron Radiation","2020","27","1","212","216","10.1107/S1600577519015911","powder diffraction","x-ray","0.99998","synchrotron","","0.0151","","","","","","","","2.658","","","","","","","has coordinates","294980","2024-10-02","06:54:33",""