# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-11-24T16:06:41+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 = 1 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
"8000204","12.347","0.002","13.031","0.004","13.621","0.002","107.495","0.003","115.25","0.002","93.094","0.003","1847.8","0.7","90","","90","","","","","","","","","4","P -1","-P 1","2","","","","- C47 H33 Cl3 N4 -","- C47 H33 Cl3 N4 -","- C94 H66 Cl6 N8 -","2","1","","Harada, Yuka; Hatano, Sayaka; Kimoto, Atsushi; Abe, Jiro","Remarkable Acceleration for Back-Reaction of a Fast Photochromic Molecule","The Journal of Physical Chemistry Letters","2010","1","7","1112","","10.1021/jz100228w","","","0.71073","MoKα","","0.0672","0.051","","","0.133","0.1442","","","","","","1.025","","","","has coordinates","211175","2020-10-21","18:00:00",""
"8000205","7.8888","0.0003","10.6684","0.0004","12.2654","0.0005","81.87","0.001","78.907","0.001","67.749","0.001","934.87","0.06","223.2","","","","","","","","","","","6","P -1","-P 1","2","","","","- C21 H18 B F4 N O -","- C21 H18 B F4 N O -","- C42 H36 B2 F8 N2 O2 -","2","1","","Nishizaka, Masaki; Mori, Tadashi; Inoue, Yoshihisa","Experimental and Theoretical Studies on the Chiroptical Properties of Donor−Acceptor Binaphthyls. Effects of Dynamic Conformer Population on Circular Dichroism","The Journal of Physical Chemistry Letters","2010","1","12","1809","","10.1021/jz100574e","","","0.7107","MoKα","","","0.0615","","","","0.1803","","","","","","1.926","","","","has coordinates","176466","2020-10-21","18:00:00",""