# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-26T12:09:21+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 'The Analyst') AND volume = 132 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
"1516036","7.1035","0.0002","8.6768","0.0003","22.2831","0.0008","90","","94.802","0.001","90","","1368.61","0.08","150","2","150","2","","","","","","","","5","P 1 21/n 1","-P 2yn","14","","","","- C13 H9 N3 O6 S -","- C13 H9 N3 O6 S -","- C52 H36 N12 O24 S4 -","4","1","","McHugh, Callum J.; Kennedy, Alan R.; Smith, W. Ewen; Graham, Duncan","TNT stilbene derivatives as SERRS active species.","The Analyst","2007","132","10","986","988","10.1039/b712231d","","","0.71073","MoKα","","0.0899","0.0469","","","0.1001","0.1141","","","","","","0.986","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516037","7.1622","0.0002","9.0664","0.0003","20.6429","0.0007","90","","90","","90","","1340.45","0.07","150","2","150","2","","","","","","","","4","P 21 21 21","P 2ac 2ab","19","","","","- C13 H8 N4 O6 -","- C13 H8 N4 O6 -","- C52 H32 N16 O24 -","4","1","","McHugh, Callum J.; Kennedy, Alan R.; Smith, W. Ewen; Graham, Duncan","TNT stilbene derivatives as SERRS active species.","The Analyst","2007","132","10","986","988","10.1039/b712231d","","","0.71073","MoKα","","0.066","0.0422","","","0.0904","0.0997","","","","","","1.034","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1516038","9.5594","0.0012","5.8786","0.0007","29.704","0.004","90","","96.345","0.002","90","","1659","0.4","293","2","293","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C19 H19 N O3 -","- C19 H19 N O3 -","- C76 H76 N4 O12 -","4","2","","O'Mahony, John; Karlsson, Bjorn C. G.; Mizaikoff, Boris; Nicholls, Ian A.","Correlated theoretical, spectroscopic and X-ray crystallographic studies of a non-covalent molecularly imprinted polymerisation system.","The Analyst","2007","132","11","1161","1168","10.1039/b706258c","","","0.71073","MoKα","","0.0609","0.0532","","","0.1493","0.1628","","","","","","1.067","","","","has coordinates","176729","2020-10-21","18:00:00",""