# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2024-06-20T13:50:23+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 = 115 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
"1501546","8.0471","0.0004","10.3951","0.0005","11.689","0.0005","67.342","0.002","85.03","0.002","89.545","0.002","898.59","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C17 H26 N6 O2 -","- C17 H26 N6 O2 -","- C34 H52 N12 O4 -","2","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.0433","0.0422","","","0.1164","0.1177","","","","","","1.031","","","","has coordinates","256941","2020-10-21","18:00:00",""
"1501547","50.606","0.004","7.9595","0.0007","14.0826","0.0012","90","","95.126","0.004","90","","5649.8","0.8","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C28 H40 N6 O4 -","- C28 H40 N6 O4 -","- C224 H320 N48 O32 -","8","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1332","0.0597","","","0.1367","0.1703","","","","","","1.006","","","","has coordinates","256941","2020-10-21","18:00:00",""
"1501548","4.8615","0.0006","7.4585","0.0009","19.034","0.003","83.881","0.007","84.671","0.007","79.308","0.007","672.43","0.16","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C24 H40 N6 O4 -","- C24 H40 N6 O4 -","- C24 H40 N6 O4 -","1","0.5","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1355","0.0632","","","0.1587","0.1975","","","","","","1.01","","","","has coordinates,has disorder","256941","2020-10-21","18:00:00",""
"1501549","7.5805","0.0006","11.1838","0.0009","25.627","0.002","94.378","0.004","92.854","0.004","101.374","0.003","2119.1","0.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C26 H44 N6 O4 -","- C26 H44 N6 O4 -","- C78 H132 N18 O12 -","3","1.5","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1419","0.0658","","","0.1651","0.2141","","","","","","1.008","","","","has coordinates,has disorder","256941","2020-10-21","18:00:00",""
"1501550","8.8653","0.0004","9.4282","0.0004","10.7014","0.0005","104.685","0.002","90.861","0.002","98.832","0.003","853.62","0.07","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C16 H24 N6 O2 -","- C16 H24 N6 O2 -","- C32 H48 N12 O4 -","2","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.0744","0.0701","","","0.1849","0.1955","","","","","","1.069","","","","has coordinates","256941","2020-10-21","18:00:00",""
"1501551","58.554","0.007","7.9545","0.001","14.0407","0.0015","90","","102.299","0.005","90","","6389.6","1.3","150","","150","","","","","","","","Synthesized by the authors. See text","4","C 1 2/c 1","-C 2yc","15","","","","- C32 H48 N6 O4 -","- C32 H48 N6 O4 -","- C256 H384 N48 O32 -","8","1","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1553","0.0981","","","0.2534","0.2954","","","","","","1.037","","","","has coordinates","256941","2020-10-21","18:00:00",""
"1501644","10.3277","0.0019","13.405","0.002","13.648","0.002","92.13","0.011","106.824","0.012","95.885","0.012","1794.6","0.5","150","","150","","","","","","","","Synthesized by the authors. See text","4","P -1","-P 1","2","","","","- C17 H26 N6 O2 -","- C17 H26 N6 O2 -","- C68 H104 N24 O8 -","4","2","","Adam Duong; Marc-André Dubois; Thierry Maris; Valérie Métivaud; Ji-Hyun Yi; Antonio Nanci; Alain Rochefort; Wuest,James D","Engineering Homologous Molecular Organization in 2D and 3D. Cocrystallization of Pyridyl-Substituted Diaminotriazines with Alkanecarboxylic Acids","The Journal of Physical Chemistry C","2011","115","","12908","12919","10.1021/jp201119g","","","1.54178","CuKα","","0.1584","0.087","","","0.2091","0.2563","","","","","","1.004","","","","has coordinates","256941","2020-10-21","18:00:00",""
"1501668","12.1445","0.0005","13.1978","0.0006","14.8062","0.0007","110.115","0.001","106.619","0.001","90.128","0.001","2121.92","0.17","296","2","296","2","","","","","","","","6","P -1","-P 1","2","","","","- C42 H48 Cl Eu N2 O11 -","- C42 H48 Cl Eu N2 O11 -","- C84 H96 Cl2 Eu2 N4 O22 -","2","1","","Huang, Xiaoguang; Wang, Qin; Yan, Xuhuan; Xu, Jun; Liu, Weisheng; Wang, Qing; Tang, Yu","Encapsulating a Ternary Europium Complex in a Silica/Polymer Hybrid Matrix for High Performance Luminescence Application","The Journal of Physical Chemistry C","2011","115","5","2332","","10.1021/jp109644j","","","0.71073","MoKα","","0.0313","0.0263","","","0.0649","0.0689","","","","","","0.906","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501674","7.357","0.004","8.151","0.005","8.444","0.005","59.374","0.017","61.691","0.014","65.709","0.016","373.9","0.4","100","","100","","","","","","","","","4","P -1","-P 1","2","","1,3-dimethylimidazolium mu-fluoro-bis(fluorohydrogenate)","","- C5 H11 F3 N2 -","- C5 H11 F3 N2 -","- C10 H22 F6 N4 -","2","1","","Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika","Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids","The Journal of Physical Chemistry C","2011","115","10","4324","","10.1021/jp1101219","","","0.71073","MoKα","","0.1178","0.0495","","","0.0958","0.1523","","","","","","1.261","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501675","5.598","0.0002","10.6076","0.0004","14.5523","0.0007","90","","92.713","0.001","90","","863.17","0.06","100","","100","","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","1,3-dimethylimidazolium mu3-fluoro-tris(fluorohydrogenate)","","- C5 H12 F4 N2 -","- C5 H12 F4 N2 -","- C20 H48 F16 N8 -","4","1","","Enomoto, Takeshi; Nakamori, Yoji; Matsumoto, Kazuhiko; Hagiwara, Rika","Ion−Ion Interactions and Conduction Mechanism of Highly Conductive Fluorohydrogenate Ionic Liquids","The Journal of Physical Chemistry C","2011","115","10","4324","","10.1021/jp1101219","","","0.71073","MoKα","","0.0386","0.0338","","","0.0888","0.0929","","","","","","1.072","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501680","17.756","0.001","21.9782","0.0012","11.5593","0.0007","90","","100.667","0.004","90","","4433","0.4","153","2","153","2","","","","","","","","5","P 1 21/c 1","-P 2ybc","14","","","","- C50 H46 N4 O4 S4 -","- C50 H46 N4 O4 S4 -","- C200 H184 N16 O16 S16 -","4","1","","Zhang, Fen; Roznyatovskiy, Vladimir; Fan, Fu-Ren F.; Lynch, Vincent; Sessler, Jonathan L.; Bard, Allen J.","A Method for Rapid Screening of Photosensitizers by Scanning Electrochemical Microscopy (SECM) and the Synthesis and Testing of a Porphyrin Sensitizer","The Journal of Physical Chemistry C","2011","115","5","2592","","10.1021/jp110482v","","","0.71069","MoKα","","0.142","0.1037","","","0.2969","0.3177","","","","","","2.192","","","","has coordinates,has disorder","176729","2020-10-21","18:00:00",""
"1501681","11.849","0.003","17.35","0.005","21.055","0.004","90","","121.146","0.011","90","","3704.5","1.6","298","2","298","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C196 H128 Cl8 -","- C196 H128 Cl8 -","- C196 H128 Cl8 -","1","0.25","","Huang, Hong; Fu, Qiang; Zhuang, Shaoqing; Liu, Yakun; Wang, Lei; Chen, Jiangshan; Ma, Dongge; Yang, Chuluo","Novel Deep Blue OLED Emitters with 1,3,5-Tri(anthracen-10-yl)benzene-Centered Starburst Oligofluorenes","The Journal of Physical Chemistry C","2011","115","11","4872","","10.1021/jp110652y","","","0.71073","MoKα","","0.1263","0.1121","","","0.2491","0.2583","","","","","","1.159","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501684","14.22","0.003","16.974","0.003","15.099","0.003","90","","92.46","0.03","90","","3641.1","1.2","150","2","150","2","","","","","","","","4","C 1 2/c 1","-C 2yc","15","","","","- B10 H30 Mg O10 -","- B10 H30 Mg O10 -","- B80 H240 Mg8 O80 -","8","1","","Yisgedu, Teshome B.; Chen, Xuenian; Lingam, Hima K.; Huang, Zhenguo; Highley, Aaron; Maharrey, Sean; Behrens, Richard; Shore, Sheldon G.; Zhao, Ji-Cheng","Synthesis, Structural Characterization, and Thermal Decomposition Study of Mg(H2O)6B10H10·4H2O","The Journal of Physical Chemistry C","2011","115","23","11793","","10.1021/jp200541k","","","0.71073","MoKα","","0.0451","0.0287","","","0.0715","0.0775","","","","","","1.029","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501697","10.7935","0.0009","11.3034","0.0009","16.2004","0.0013","107.802","0.001","93.422","0.002","95.478","0.002","1865","0.3","300","2","300","2","","","","","","","","4","P -1","-P 1","2","","","","- C21 H25 N Si -","- C21 H25 N Si -","- C84 H100 N4 Si4 -","4","2","","Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro","Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State","The Journal of Physical Chemistry C","2011","115","22","11265","","10.1021/jp201168x","","","0.71073","MoKα","","0.094","0.0685","","","0.1855","0.1995","","","","","","1.086","","","","has coordinates","275201","2022-05-07","03:27:37",""
"1501698","8.0586","0.0013","14.782","0.002","20.24","0.003","90","","90","","90","","2411","0.6","300","2","300","2","","","","","","","","5","P 21 21 21","P 2ac 2ab","19","","","","- C27 H26 F3 N Si -","- C27 H26 F3 N Si -","- C108 H104 F12 N4 Si4 -","4","1","","Shimizu, Masaki; Mochida, Kenji; Hiyama, Tamejiro","Highly Efficient Blue Fluorescence from 3,2′-Silylene-Bridged 2-Phenylindoles in the Solid State","The Journal of Physical Chemistry C","2011","115","22","11265","","10.1021/jp201168x","","","0.71073","MoKα","","0.087","0.0746","","","0.2021","0.214","","","","","","1.057","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501717","6.9676","0.0019","8.345","0.003","9.765","0.004","79.75","0.03","70.26","0.03","83.19","0.03","524.8","0.3","295","2","295","2","","","","","","","","4","P -1","-P 1","2","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","1","0.5","","Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun","Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor‒Acceptor (D‒A) Attached Salicylaldehyde Azine Derivatives","The Journal of Physical Chemistry C","2011","115","29","14353","","10.1021/jp2035357","","","0.71073","MoKα","","0.082","0.0486","","","0.0829","0.0931","","","","","","1.035","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501718","12.055","0.003","6.5584","0.0015","13.381","0.006","90","","95.95","0.02","90","","1052.2","0.6","295","2","295","2","","","","","","","","4","P 1 21/n 1","-P 2yn","14","","","","- C22 H30 N4 O2 -","- C22 H30 N4 O2 -","- C44 H60 N8 O4 -","2","0.5","","Chen, Xiaotong; Wei, Ruirui; Xiang, Yu; Zhou, Zhaojuan; Li, Kai; Song, Panshu; Tong, Aijun","Organic Crystalline Solids Response to Piezo/thermo Stimulus: Donor‒Acceptor (D‒A) Attached Salicylaldehyde Azine Derivatives","The Journal of Physical Chemistry C","2011","115","29","14353","","10.1021/jp2035357","","","0.71073","MoKα","","0.1784","0.0618","","","0.1133","0.1572","","","","","","1.031","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501743","12.102","0.005","6.175","0.005","25.167","0.005","90","0.005","92.532","0.005","90","0.005","1878.9","1.7","293","2","293","2","","","","","","","","3","P 1 21/c 1","-P 2ybc","14","","","","- C29 H17 N -","- C29 H17 N -","- C116 H68 N4 -","4","1","","Xin, Qian; Duhm, Steffen; Hosoumi, Shunsuke; Ueno, Nobuo; Tao, Xu-tang; Kera, Satoshi","Impact of Nitrogen Substitution and Molecular Orientation on the Energy-Level Alignment of Heteroacene Films","The Journal of Physical Chemistry C","2011","115","31","15502","","10.1021/jp204277g","","","0.71069","MoKα","","0.1588","0.0517","","","0.1245","0.1857","","","","","","0.831","","","","has coordinates","176729","2020-10-21","18:00:00",""
"1501757","11.5917","0.0001","11.5917","0.0001","11.5917","0.0001","90","","90","","90","","1557.55","0.02","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- B3 Ce Cl D12 Li -","- B3 Ce Cl D12 Li -","- B24 Ce8 Cl8 D96 Li8 -","8","0.166667","","Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.","Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl","The Journal of Physical Chemistry C","2011","115","47","23591","","10.1021/jp205105j","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501758","11.665","0.001","11.665","0.001","11.665","0.001","90","","90","","90","","1587.3","0.2","","","","","","","","","","","","5","I -4 3 m","I -4 2 3","217","","","","- B3 Ce Cl D12 Li -","- B3 Ce Cl D12 Li -","- B24 Ce8 Cl8 D96 Li8 -","8","0.166667","","Frommen, C.; Sørby, M.H.; Ravindran, P.; Vajeeston, P.; Fjellvåg, H.; Hauback, B.C.","Synthesis, Crystal Structure, and Thermal Properties of the First Mixed-Metal and Anion-Substituted Rare Earth Borohydride LiCe(BH4)3Cl","The Journal of Physical Chemistry C","2011","115","47","23591","","10.1021/jp205105j","","","","","","","","","","","","","","","","","","","","","has coordinates","176432","2020-10-21","18:00:00",""
"1501768","6.556","0.0002","7.697","0.0002","17.438","0.0008","93.754","0.001","97.256","0.001","116.531","0.002","773.58","0.05","566","2","566","2","","","","","","","","4","P -1","-P 1","2","","","","- C18 H19 N3 O -","- C18 H19 N3 O -","- C36 H38 N6 O2 -","2","1","","Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle","Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores","The Journal of Physical Chemistry C","2011","115","48","23955","","10.1021/jp206204p","","x-ray","0.71073","MoKα","","0.1178","0.0683","","","0.1374","0.1654","","","","","","1.045","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501769","7.6934","0.0002","9.7091","0.0003","11.3685","0.0003","84.576","0.001","73.338","0.002","75.881","0.001","788.67","0.04","293","2","293","2","","","","","","","","3","P -1","-P 1","2","Compound X","San341 (Mario)","","- C18 H19 N3 -","- C18 H19 N3 -","- C36 H38 N6 -","2","1","","Herrera-Ambriz, Victor-Manuel; Maldonado, José-Luis; Rodríguez, Mario; Castro-Beltrán, Rigoberto; Ramos-Ortíz, Gabriel; Magaña-Vergara, Nancy-Evelyn; Meneses-Nava, Marco-Antonio; Barbosa-García, Oracio; Santillan, Rosa; Farfán, Norberto; Dang, Florian-Xuan; Lacroix, Pascal G.; Ledoux-Rak, Isabelle","Highly Efficient Photorefractive Organic Polymers Based on Benzonitrile Shiff Bases Nonlinear Chromophores","The Journal of Physical Chemistry C","2011","115","48","23955","","10.1021/jp206204p","","x-ray","0.71073","MoKα","","0.1025","0.0564","","","0.1418","0.1731","","","","","","1.081","","","","has coordinates","201954","2020-10-21","18:00:00",""
"1501773","38.113","0.008","5.8256","0.0012","7.8705","0.0016","90","","93.77","0.03","90","","1743.7","0.6","173","2","173","2","","","","","","","","3","C 1 2/c 1","-C 2yc","15","","","","- C22 H12 S4 -","- C22 H12 S4 -","- C88 H48 S16 -","4","0.5","","Chen, Huajie; Cui, Qingyu; Yu, Gui; Guo, Yunlong; Huang, Jianyao; Zhu, Minliang; Guo, Xiaojun; Liu, Yunqi","Synthesis and Characterization of Novel Semiconductors Based on Thieno[3,2-b][1]benzothiophene Cores and Their Applications in the Organic Thin-Film Transistors","The Journal of Physical Chemistry C","2011","115","48","23984","","10.1021/jp2081484","","","0.71073","MoKα","","0.0676","0.056","","","0.1157","0.1308","","","","","","1.229","","","","has coordinates","176729","2020-10-21","18:00:00",""