# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-12-22T02:51:56+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 'Photochemical & Photobiological Sciences') AND volume = 11 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
"1515310","10.6241","0.0008","9.6218","0.0007","22.951","0.0016","90","","93.646","0.002","90","","2341.4","0.3","171","2","171","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C28 H32 N2 O2 -","- C28 H32 N2 O2 -","- C112 H128 N8 O8 -","4","1","","Bergen, Anna; Bohne, Cornelia; Fuentealba, Denis; Ihmels, Heiko; Pace, Tamara C. S.; Waidelich, Michael; Yihwa, Chang; Willem Bats, Jan","Studies of the solvatochromic emission properties of N-aroylurea derivatives I: Influence of the substitution pattern.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","4","752","767","10.1039/c2pp05386a","","","0.71073","MoKα","","0.237","0.1095","","","0.1316","0.1627","","","","","","1.116","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515311","29.964","0.008","12.267","0.003","10.108","0.003","90","","95.426","0.009","90","","3698.7","1.7","293","2","293","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C25 H17 N O2 -","- C25 H16.5 N O2 -","- C200 H132 N8 O16 -","8","2","","Chowdhury, Nilanjana; Dutta, Sansa; Dasgupta, Swagata; Singh, N. D. Pradeep; Baidya, Mithu; Ghosh, S. K.","Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","7","1239","1250","10.1039/c2pp25033k","","","0.71073","MoKα","","0.3717","0.0892","","","0.131","0.2291","","","","","","0.921","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515312","12.847","0.005","8.845","0.004","32.399","0.013","90","","90","","90","","3682","3","293","2","293","2","","","","","","","","4","P b c a","-P 2ac 2ab","61","","","","- C25 H17 N O2 -","- C25 H17 N O2 -","- C200 H136 N8 O16 -","8","1","","Chowdhury, Nilanjana; Dutta, Sansa; Dasgupta, Swagata; Singh, N. D. Pradeep; Baidya, Mithu; Ghosh, S. K.","Synthesis, photophysical, photochemical, DNA cleavage/binding and cytotoxic properties of pyrene oxime ester conjugates.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","7","1239","1250","10.1039/c2pp25033k","","","0.71073","MoKα","","0.1192","0.0535","","","0.1219","0.1569","","","","","","0.961","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515313","5.07","0.001","22.07","0.004","8.31","0.0017","90","","100.85","0.03","90","","913.2","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","ThyAcetate","Thymine Acetate","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71068","synchrotron","","0.0524","0.0469","","","0.1204","0.1247","","","","","","1.05","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515314","8.927","0.0018","14.369","0.003","7.764","0.0016","90","","90.6","0.03","90","","995.8","0.4","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ThyPropOate","ThyPropOate","","- C9 H12 N2 O4 -","- C9 H12 N2 O4 -","- C36 H48 N8 O16 -","4","1","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71253","synchrotron","","0.087","0.0841","","","0.2074","0.2106","","","","","","1.059","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515315","4.913","0.001","20.405","0.004","8.592","0.0017","90","","101.9","0.03","90","","842.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","Thymine PropOic","Thymine propanoic acid","","- C8 H10 N2 O4 -","- C8 H10 N2 O4 -","- C32 H40 N8 O16 -","4","1","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71072","synchrotron","","0.0601","0.0577","","","0.1552","0.1568","","","","","","1.075","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515316","7.3571","0.0015","15.243","0.003","15.854","0.003","90","","90.18","0.03","90","","1777.9","0.6","173","2","173","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","ThyPropAmide","ThyPropAmide","","- C8 H11 N3 O3 -","- C8 H11 N3 O3 -","- C64 H88 N24 O24 -","8","2","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71073","MoKα","","0.0539","0.037","","","0.0814","0.0891","","","","","","1.06","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515317","7.6","0.0015","8.9","0.0018","9.45","0.0019","96.93","0.03","111.13","0.03","101.53","0.03","571.1","0.3","173","2","173","2","","","","","","","","4","P -1","-P 1","2","ButBisThyPropOic_Compound9","ButBisThyPropOic","","- C20 H30 N4 O10 -","- C20 H30 N4 O10 -","- C20 H30 N4 O10 -","1","0.5","","Johnston, Priscilla; Izgorodina, Ekaterina I.; Saito, Kei","The interplay between hydrogen bonding and π-π stacking interactions in the crystal packing of N1-thyminyl derivatives, and implications for the photo-chemical [2π + 2π]-cycloaddition of thyminyl compounds.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","12","1938","1951","10.1039/c2pp25228g","","","0.71069","synchrotron","","0.0536","0.0502","","","0.1319","0.1346","","","","","","1.084","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515318","9.569","0.0019","17.605","0.004","10.472","0.002","90","","114.97","0.03","90","","1599.2","0.7","180","2","180","2","","","","","","","","6","P 1 21 1","P 2yb","4","","","","- C35 H34 Cl2 N4 O4 Zn -","- C35 H34 Cl2 N4 O4 Zn -","- C70 H68 Cl4 N8 O8 Zn2 -","2","1","","Jesorka, Aldo; Holzwarth, Alfred R.; Eichhöfer, Andreas; Reddy, Chilla Malla; Kinoshita, Yusuke; Tamiaki, Hitoshi; Katterle, Martin; Naubron, Jean-Valère; Balaban, Teodor Silviu","Water coordinated zinc dioxo-chlorin and porphyrin self-assemblies as chlorosomal mimics: variability of supramolecular interactions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","1069","1080","10.1039/c2pp25016k","","","0.71073","MoKα","","0.0283","0.0277","","","0.0752","0.0758","","","","","","1.024","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515319","8.4036","0.0017","15.247","0.003","19.754","0.004","81.67","0.03","85.68","0.03","77.22","0.03","2439.9","0.9","150","2","150","2","","","","","","","","5","P -1","-P 1","2","","","","- C52 H58 N4 O3 Zn -","- C52 H58 N4 O3 Zn -","- C104 H116 N8 O6 Zn2 -","2","1","","Jesorka, Aldo; Holzwarth, Alfred R.; Eichhöfer, Andreas; Reddy, Chilla Malla; Kinoshita, Yusuke; Tamiaki, Hitoshi; Katterle, Martin; Naubron, Jean-Valère; Balaban, Teodor Silviu","Water coordinated zinc dioxo-chlorin and porphyrin self-assemblies as chlorosomal mimics: variability of supramolecular interactions.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","1069","1080","10.1039/c2pp25016k","","","0.7","synchrotron","","0.1596","0.1021","","","0.2238","0.2523","","","","","","1.067","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1515320","10.232","0.006","12.112","0.007","12.792","0.008","76.697","0.014","79.053","0.019","81.737","0.019","1506.4","1.6","123","","123","","","","","","","","","5","P 1","P 1","1","","","","- C35 H38 N4 Ni O5 -","- C35 H38 N4 Ni O5 -","- C70 H76 N8 Ni2 O10 -","2","2","","Tamiaki, Hitoshi; Okamoto, Yukihiro; Mikata, Yuji; Shoji, Sunao","Photooxidative cleavage of zinc 20-substituted chlorophyll derivatives: conformationally P-helix-favored formation of regioselectively 19-20 opened linear tetrapyrroles.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","898","907","10.1039/c1pp05301a","","","0.7107","MoKα","","","0.0579","","","","0.1461","","","","","","0.991","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515321","6.4052","0.0004","7.0492","0.0005","29.396","0.002","90","","90","","90","","1327.27","0.15","100","2","100","2","","","","","","","","3","P 21 21 21","P 2ac 2ab","19","","","","- C17 H21 N -","- C17 H21 N -","- C68 H84 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0546","0.0429","","","0.0889","0.0926","","","","","","1.152","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515322","6.4759","0.0005","33.28","0.002","6.8092","0.0003","90","","116.291","0.006","90","","1315.7","0.16","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C17 H20 F N -","- C17 H20 F N -","- C68 H80 F4 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.077","0.0503","","","0.1027","0.1117","","","","","","1.057","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515323","27.27","0.003","6.4963","0.0003","16.418","0.002","90","","107.59","0.008","90","","2772.5","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Cl N -","- C17 H20 Cl N -","- C136 H160 Cl8 N8 -","8","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0395","0.0317","","","0.0803","0.0854","","","","","","1.064","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515324","27.68","0.003","6.5071","0.0003","16.548","0.002","90","","108.15","0.008","90","","2832.3","0.5","100","2","100","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- C17 H20 Br N -","- C17 H20 Br N -","- C136 H160 Br8 N8 -","8","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0431","0.0268","","","0.053","0.057","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515325","6.7598","0.0004","6.7421","0.0002","15.7289","0.0005","90","","93.646","0.004","90","","715.4","0.05","100","2","100","2","","","","","","","","4","P 1 21 1","P 2yb","4","","","","- C18 H23 N O -","- C18 H23 N O -","- C36 H46 N2 O2 -","2","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0405","0.0369","","","0.0986","0.1005","","","","","","1.149","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515326","9.2529","0.0009","15.6034","0.0008","12.4998","0.001","90","","91.055","0.009","90","","1804.4","0.2","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C22 H28 Cl N -","- C22 H28 Cl N -","- C88 H112 Cl4 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0555","0.0417","","","0.091","0.0968","","","","","","1.136","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515327","9.6458","0.0008","15.645","0.002","12.6055","0.0007","90","","91.295","0.006","90","","1901.8","0.3","100","2","100","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","","","","- C23 H30 Cl N -","- C23 H30 Cl N -","- C92 H120 Cl4 N4 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0663","0.0468","","","0.1023","0.11","","","","","","1.07","","","","has coordinates,has disorder","176432","2020-10-21","18:00:00",""
"1515328","11.276","0.001","12.1","0.001","20.803","0.002","90","","90","","90","","2838.4","0.4","100","2","100","2","","","","","","","","4","P n a 21","P 2c -2n","33","","","","- C34 H42 Cl2 N2 -","- C34 H42 Cl2 N2 -","- C136 H168 Cl8 N8 -","4","1","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0611","0.039","","","0.0747","0.0808","","","","","","1.025","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515329","6.4218","0.0005","10.3","0.002","10.942","0.001","84.03","0.02","82.99","0.01","83.11","0.01","710.22","0.16","100","2","100","2","","","","","","","","4","P -1","-P 1","2","","","","- C34 H42 Cl2 N2 -","- C34 H42 Cl2 N2 -","- C34 H42 Cl2 N2 -","1","0.5","","Aldemir, Müge; Heinemann, Frank W.; Kisch, Horst","Photochemical synthesis of N-adamantylhomoallylamines through addition of cyclic olefins to imines catalyzed by alumina grafted cadmium sulfide.","Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology","2012","11","6","908","913","10.1039/c1pp05298e","","","0.71073","MoKα","","0.0864","0.0522","","","0.1157","0.1288","","","","","","1.034","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1515330","11.339","","30.546","","13.56","","90","","100.98","","90","","4610.68","","213","2","213","2","","","","","","","","6","P 1 21/a 1","-P 2yab","14","","","","- C46 H61 B F2 N4 O11 -","- C46 H61 B F2 N4 O11 -","- C184 H244 B4 F8 N16 O44 -","4","1","","Batat, Pinar; Vives, Guillaume; Bofinger, Robin; Chang, Ren-Wei; Kauffmann, Brice; Oda, Reiko; Jonusauskas, Gediminas; McClenaghan, Nathan D.","Dynamics of ion-regulated photoinduced electron transfer in BODIPY-BAPTA conjugates","Photochemical & Photobiological Sciences","2012","11","11","1666","","10.1039/c2pp25130b","","","1.54178","CuKα","","0.2002","0.1351","","","0.3753","0.4437","","","","","","1.526","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1515331","31.941","0.006","13.922","0.003","23.065","0.005","90","","101.67","0.03","90","","10045","4","293","2","293","2","","","","","","","","6","C 1 2/c 1","-C 2yc","15","","","","- C50 H59 B F2 N4 O10 -","- C50 H59 B F2 N4 O10 -","- C400 H472 B8 F16 N32 O80 -","8","1","","Batat, Pinar; Vives, Guillaume; Bofinger, Robin; Chang, Ren-Wei; Kauffmann, Brice; Oda, Reiko; Jonusauskas, Gediminas; McClenaghan, Nathan D.","Dynamics of ion-regulated photoinduced electron transfer in BODIPY-BAPTA conjugates","Photochemical & Photobiological Sciences","2012","11","11","1666","","10.1039/c2pp25130b","","","1.54178","CuKα","","0.1743","0.1475","","","0.4223","0.4489","","","","","","1.821","","","","has coordinates","176729","2020-10-21","18:00:00",""