# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2025-04-27T03:05:44+02:00
# 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 'Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology') AND volume = 9 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
"1515911","22.339","0.005","10.971","0.003","10.585","0.003","90","","90","","90","","2594.2","1.2","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C116 H88 F24 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.2024","0.0627","","","0.0766","0.1057","","","","","","0.916","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515912","22.3","0.03","11.026","0.018","10.542","0.018","90","","90","","90","","2592","7","100","","100","","","","","","","","","4","P b c n","-P 2n 2ab","60","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene (88%) and 1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15- dithiatetracyclo-(10.3.0.0<2,6>.0<7,11>) pentadeca-4,6(7),11(12),13- tetraene (12%)","1,2-bis(2-ethyl-5-phenyl-3-thienyl)perfluorocyclopentene (88%) and 1,2-diethyl-8,8,9,9,10,10-hexafluoro-4,14-diphenyl-3,15-dithiatetracyclo- [10.3.0.0<2,6>.0<7,11>] pentadeca-4,6(7),11(12),13-tetraene (12%)","","- C29 H22 F6 S2 -","- C29 H22 F6 S2 -","- C116 H88 F24 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.2251","0.1009","","","0.2138","0.2612","","","","","","1.133","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515913","21.5461","0.0015","10.8096","0.0008","10.8098","0.0008","90","","90","","90","","2517.7","0.3","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene","","- C27 H20 F6 N2 S2 -","- C27 H20 F6 N2 S2 -","- C108 H80 F24 N8 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.0602","0.0385","","","0.0882","0.1002","","","","","","1.042","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515914","21.586","0.002","10.8692","0.0011","10.7268","0.0011","90","","90","","90","","2516.7","0.4","123","","123","","","","","","","","","5","P b c n","-P 2n 2ab","60","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (94%) and 7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene (6%)","1,2-bis(5-ethyl-2-phenyl-4-thiazolyl)perfluorocyclopentene (94%) and 7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene (6%)","","- C27 H20 F6 N2 S2 -","- C27 H20 F6 N2 S2 -","- C108 H80 F24 N8 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.0463","0.0332","","","0.0731","0.0807","","","","","","1.013","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515915","9.5508","0.0008","19.4249","0.0015","13.5268","0.0011","90","","95.743","0.001","90","","2496.9","0.3","123","","123","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene","7,7,8,8,9,9-Hexafluoro-3a,3b-diethyl-2,5-diphenyl-3b,7,8,9- tetrahydro-3aH-3,4-dithia-1,6-diaza-triindene","","- C27 H20 F6 N2 S2 -","- C27 H20 F6 N2 S2 -","- C108 H80 F24 N8 S8 -","4","1","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.0538","0.0393","","","0.1208","0.1355","","","","","","0.97","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515916","21.307","0.006","12.193","0.004","10.669","0.003","90","","90","","90","","2771.8","1.4","123","","123","","","","","","","","","4","P b c n","-P 2n 2ab","60","1,2-bis(2-isopropyl-5-phenyl-3-thienyl)perfluorocyclopentene","1,2-bis(2-isopropyl-5-phenyl-3-thienyl)perfluorocyclopentene","","- C31 H26 F6 S2 -","- C31 H26 F6 S2 -","- C124 H104 F24 S8 -","4","0.5","","Kuroki, Lumi; Takami, Shizuka; Yoza, Kenji; Morimoto, Masakazu; Irie, Masahiro","Photoinduced shape changes of diarylethene single crystals: correlation between shape changes and molecular packing.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","2","221","225","10.1039/b9pp00093c","","","0.71073","MoKα","","0.0531","0.036","","","0.0889","0.0995","","","","","","1.031","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515917","32.787","0.006","7.992","0.005","7.252","0.004","90","","90.19","0.04","90","","1900.3","1.6","100","2","100","2","","","","","","","","6","C 1 2 1","C 2y","5","8-(4-(methoxycarbonyl)phenyl) -1,3,5,7-tetramethyl-4,4- difluoro-3a, 4a-diaza-4-bora-s-indacene","8-[4-(methoxycarbonyl)phenyl] -1,3,5,7-tetramethyl-4,4-difluoro-3a, 4a-diaza-4-bora-s-indacene","","- C21 H21 B F2 N2 O2 -","- C21 H21 B F2 N2 O2 -","- C84 H84 B4 F8 N8 O8 -","4","1","","Filarowski, Aleksander; Kluba, Małgorzata; Cieślik-Boczula, Katarzyna; Koll, Aleksander; Kochel, Andrzej; Pandey, Lesley; De Borggraeve, Wim M.; Van der Auweraer, Mark; Catalán, Javier; Boens, Noël","Generalized solvent scales as a tool for investigating solvent dependence of spectroscopic and kinetic parameters. Application to fluorescent BODIPY dyes.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","7","996","1008","10.1039/c0pp00035c","","","0.71073","MoKα","","0.0416","0.0319","","","0.0677","0.0718","","","","","","1.006","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515918","10.5366","0.0004","12.5473","0.0005","17.9886","0.001","103.206","0.002","94.101","0.004","95.199","0.003","2295.33","0.18","100","2","100","2","","","","","","","","7","P -1","-P 1","2","","","","- C50 H34 Cl4 F4 Ir N7 O3 -","- C50 H34 Cl4 F4 Ir N7 O3 -","- C100 H68 Cl8 F8 Ir2 N14 O6 -","2","1","","Tart, Nicholas M.; Sykes, Daniel; Sazanovich, Igor; Tidmarsh, Ian S.; Ward, Michael D.","Iridium(III) luminophores as energy donors for sensitised emission from lanthanides in the visible and near-infrared regions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","7","886","889","10.1039/c0pp00011f","","","0.71073","MoKα","","0.1019","0.07","","","0.1662","0.1838","","","","","","1.078","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515919","13.0065","0.0007","12.4226","0.0006","21.8351","0.0011","90","","90","","90","","3528","0.3","150","2","150","2","","","","","","","","5","P b c a","-P 2ac 2ab","61","","","","- C23 H15 B F2 N2 -","- C23 H15 B F2 N2 -","- C184 H120 B8 F16 N16 -","8","1","","Benniston, Andrew C.; Harriman, Anthony; Whittle, Victoria L.; Zelzer, Mischa; Harrington, Ross W.; Clegg, William","Exciplex-like emission from a closely-spaced, orthogonally-sited anthracenyl-boron dipyrromethene (Bodipy) molecular dyad.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","7","1009","1017","10.1039/c0pp00039f","","","0.71073","MoKα","","0.0673","0.0426","","","0.0924","0.0972","","","","","","0.964","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515920","30.0651","0.0005","13.6116","0.0002","15.4512","0.0002","90","","114.351","0.001","90","","5760.63","0.15","150","2","150","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C31 H26 B2 F8 N2 O -","- C31 H26 B2 F8 N2 O -","- C248 H208 B16 F64 N16 O8 -","8","1","","El-Idreesy, Tamer T; Clennan, Edward L.","Computational and experimental evidence for the first direct spectroscopic detection of the pyrylogen neutral redox partner.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","6","796","800","10.1039/c0pp00068j","","","0.71073","MoKα","","0.0696","0.0549","","","0.1488","0.1612","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515921","8.7453","0.0002","14.2435","0.0003","14.7221","0.0003","118.767","0.001","91.692","0.001","95.485","0.001","1594.15","0.06","150","2","150","2","","","","","","","","6","P -1","-P 1","2","","","","- C30 H31 B2 F8 N O7 -","- C30 H31 B2 F8 N O7 -","- C60 H62 B4 F16 N2 O14 -","2","1","","El-Idreesy, Tamer T; Clennan, Edward L.","Computational and experimental evidence for the first direct spectroscopic detection of the pyrylogen neutral redox partner.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","6","796","800","10.1039/c0pp00068j","","","0.71073","MoKα","","0.1088","0.0603","","","0.1586","0.1876","","","","","","1.036","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515922","26.732","0.002","8.0585","0.0007","16.3195","0.0013","90","","90","","90","","3515.5","0.5","93","2","93","2","","","","","","","","4","P c c n","-P 2ab 2ac","56","1,2-Bis(2-(9-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","1,2-Bis(2-(9-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","","- C45 H30 F6 S2 -","- C45 H30 F6 S2 -","- C180 H120 F24 S8 -","4","0.5","","Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro","Photochromism of dithienylethene single crystals having anthracene substituents.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","8","1079","1081","10.1039/c0pp00083c","","","0.71073","MoKα","","0.0505","0.0397","","","0.1005","0.104","","","","","","0.989","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515923","9.8648","0.0009","11.9212","0.001","15.7333","0.0014","70.46","0.001","82.316","0.001","82.209","0.001","1719.8","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1,2-Bis(2-(1-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","1,2-Bis(2-(1-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","","- C45 H30 F6 S2 -","- C45 H30 F6 S2 -","- C90 H60 F12 S4 -","2","1","","Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro","Photochromism of dithienylethene single crystals having anthracene substituents.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","8","1079","1081","10.1039/c0pp00083c","","","0.71073","MoKα","","0.054","0.0416","","","0.0985","0.1022","","","","","","0.954","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515924","9.8101","0.001","11.5143","0.0011","16.5482","0.0016","72.389","0.002","86.286","0.002","81.997","0.002","1763.8","0.3","93","2","93","2","","","","","","","","4","P -1","-P 1","2","1,2-Bis(2-(2-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","1,2-Bis(2-(2-anthryl)-5-ethylthien-3-yl)perfluorocyclopentene","","- C45 H30 F6 S2 -","- C45 H30 F6 S2 -","- C90 H60 F12 S4 -","2","1","","Ohara, Hiroki; Morimoto, Masakazu; Irie, Masahiro","Photochromism of dithienylethene single crystals having anthracene substituents.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2010","9","8","1079","1081","10.1039/c0pp00083c","","","0.71073","MoKα","","0.0919","0.0771","","","0.1889","0.2004","","","","","","1.11","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""