# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-04T22:15:23+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 journal of physical chemistry letters') AND volume = 13 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
"8000566","7.176","0.0003","11.6702","0.0003","7.2267","0.0004","90","","113.519","0.006","90","","554.93","0.05","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C3.43 H2.86 N0.57 O1.14 -","- C3.42857 H2.85714 N0.571429 O1.14286 -","- C24 H20 N4 O8 -","7","1.75","","Chen, Yi; Xie, Yujun; Li, Zhen","Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array.","The journal of physical chemistry letters","2022","13","7","1652","1659","10.1021/acs.jpclett.2c00118","","x-ray","1.54184","CuKα","","0.0779","0.0608","","","0.1596","0.1905","","","","","","1.139","","","","has coordinates","273311","2022-03-04","01:33:06",""
"8000567","6.3923","0.0007","7.2424","0.0009","7.4683","0.0008","103.707","0.01","114.869","0.011","106.137","0.01","275.38","0.08","293","","293","","","","","","","","","4","P -1","-P 1","2","","","","- C6 H5 N O2 -","- C6 H5 N O2 -","- C12 H10 N2 O4 -","2","1","","Chen, Yi; Xie, Yujun; Li, Zhen","Room-Temperature Phosphorescence of Nicotinic Acid and Isonicotinic Acid: Efficient Intermolecular Hydrogen-Bond Interaction in Molecular Array.","The journal of physical chemistry letters","2022","13","7","1652","1659","10.1021/acs.jpclett.2c00118","","x-ray","1.54184","CuKα","","0.0597","0.0521","","","0.1619","0.189","","","","","","1.0905","","","","has coordinates","273312","2022-03-04","01:33:31",""