# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-09-14T01:27:29+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 'The Journal of Physical Chemistry C') AND volume = 126 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
"1566302","15.9081","0.001","10.1431","0.0006","23.4731","0.0017","90","","98.646","0.007","90","","3744.5","0.4","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,2-bis(3,6-di-tert-butyl-9H-fluoren-9-ylidene)ethene","","- C44 H48 -","- C44 H48 -","- C176 H192 -","4","1","","Hirao, Yasukazu; Ihara, Keiji; Ishibashi, Yukihide; Tiu, Elisha Gabrielle; Asahi, Tsuyoshi; Kubo, Takashi","Mechanism and Kinetics of Fluorescence Quenching of Fluorene-Endcapped Butatriene: A Microspectroscopic Study of the Discrete State Constructed in Microcrystals","The Journal of Physical Chemistry C","2022","126","2","1196","1203","10.1021/acs.jpcc.1c09163","","","0.71075","MoKα","","0.1283","0.0762","","","0.1529","0.1727","","","","","","1.043","","","","has coordinates,has disorder","272538","2022-02-04","01:42:25",""
"1566303","11.658","0.0009","5.99","0.0005","13.4368","0.0012","90","","100.125","0.007","90","","923.7","0.14","200","2","200","2","","","","","","","","2","P 1 21/n 1","-P 2yn","14","","1,2-di(9H-fluoren-9-ylidene)ethene","","- C28 H16 -","- C28 H16 -","- C56 H32 -","2","0.5","","Hirao, Yasukazu; Ihara, Keiji; Ishibashi, Yukihide; Tiu, Elisha Gabrielle; Asahi, Tsuyoshi; Kubo, Takashi","Mechanism and Kinetics of Fluorescence Quenching of Fluorene-Endcapped Butatriene: A Microspectroscopic Study of the Discrete State Constructed in Microcrystals","The Journal of Physical Chemistry C","2022","126","2","1196","1203","10.1021/acs.jpcc.1c09163","","","0.71075","MoKα","","0.092","0.0462","","","0.0953","0.1095","","","","","","1.021","","","","has coordinates","272538","2022-02-04","01:42:26",""
"1566304","9.993","0.002","10.043","0.002","10.481","0.002","92.172","0.007","104.863","0.007","105.068","0.007","975.5","0.3","200","2","200","2","","","","","","","","2","P -1","-P 1","2","tetraphenylbutatriene","1,1,4,4-tetraphenylbuta-1,2,3-triene","","- C28 H20 -","- C28 H20 -","- C56 H40 -","2","1","","Hirao, Yasukazu; Ihara, Keiji; Ishibashi, Yukihide; Tiu, Elisha Gabrielle; Asahi, Tsuyoshi; Kubo, Takashi","Mechanism and Kinetics of Fluorescence Quenching of Fluorene-Endcapped Butatriene: A Microspectroscopic Study of the Discrete State Constructed in Microcrystals","The Journal of Physical Chemistry C","2022","126","2","1196","1203","10.1021/acs.jpcc.1c09163","","","0.71075","MoKα","","0.17","0.0808","","","0.2165","0.2772","","","","","","1.029","","","","has coordinates","272538","2022-02-04","01:42:26",""
"1566305","10.5476","0.0006","9.05","0.0004","11.9209","0.0004","90","","115.048","0.004","90","","1030.9","0.09","273.15","","273.15","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","2,4,6-Trinitro-3-Bromo Anisole (TNBA)","","- C7 H4 Br N3 O7 -","- C7 H4 Br N3 O7 -","- C28 H16 Br4 N12 O28 -","4","1","","Childs, Christian M.; Steele, Brad A.; Grivickas, Paulius; Zhang, Dongzhou; Crowhurst, Jonathan; Kuo, I-Feng W.; Bastea, Sorin; Clarke, Samantha M.","High-Pressure Investigation of 2,4,6-Trinitro-3-bromoanisole (TNBA): Structural Determination and Piezochromism","The Journal of Physical Chemistry C","2022","126","2","1176","1187","10.1021/acs.jpcc.1c08804","","","0.43409","synchrotron","","0.1014","0.071","","","0.2189","0.309","","","","","","1.2772","","","","has coordinates","272539","2022-02-04","01:43:03",""
"1566306","12.9783","0.0005","14.4105","0.0006","8.381","0.0004","90","","105.605","0.002","90","","1509.67","0.11","300","2","300","","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C6 H10 I4 N2 Pb -","- C6 H10 I4 N2 Pb -","- C24 H40 I16 N8 Pb4 -","4","1","","Jia, Qiang-Qiang; Luo, Qing-Feng; Ni, Hao-Fei; Su, Chang-Yuan; Fu, Da-Wei; Xie, Li-Yan; Lu, Hai-Feng","High-Sensitivity Organic–Inorganic Hybrid Materials with Reversible Thermochromic Property and Dielectric Switching","The Journal of Physical Chemistry C","2022","126","3","1552","1557","10.1021/acs.jpcc.1c10347","","","0.71073","MoKα","","0.0287","0.0258","","","0.0586","0.0614","","","","","","1.128","","","","has coordinates","272540","2022-02-04","01:43:25",""
"1566738","12.1514","0.0012","26.995","0.002","10.64","0.001","90","","99.479","0.003","90","","3442.6","0.5","300","2","300","2","","","","","","","","4","P 1 21/c 1","-P 2ybc","14","10,10'-(7-methyl-2,4-diphenylquinoline-6,8-diyl)bis(10H-phenoxazine)","10,10'-(7-methyl-2,4-diphenylquinoline-6,8-diyl)bis(10H-phenoxazine)","","- C46 H31 N3 O2 -","- C46 H31 N3 O2 -","- C184 H124 N12 O8 -","4","1","","Dey, Suvendu; Hasan, Monirul; Shukla, Atul; Acharya, Nirmalya; Upadhyay, Manoj; Lo, Shih-Chun; Namdas, Ebinazar B.; Ray, Debdas","Thermally Activated Delayed Fluorescence and Room-Temperature Phosphorescence in Asymmetric Phenoxazine-Quinoline (D2–A) Conjugates and Dual Electroluminescence","The Journal of Physical Chemistry C","2022","126","12","5649","5657","10.1021/acs.jpcc.2c00512","","","0.71073","MoKα","","0.1476","0.0671","","","0.1729","0.2335","","","","","","1.025","","","","has coordinates","274291","2022-04-04","00:23:57",""