Crystallography Open Database

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Searching journal of publication like 'The journal of physical chemistry. A' volume of publication is 119

COD ID: 1518735
CIF file Formula: - C46 H34 N4 O4 -
Comments: Nielsen, Christian Benedikt Orea; Sørensen, Henning Osholm; Kongsted, Jacob Comparison between Theoretically and Experimentally Determined Electronic Properties: Applications to Two-Photon Singlet Oxygen Sensitizers. The journal of physical chemistry. A 119(10) (2015) 1906-1916
Space group: P b c a
Cell volume: 3513.6
Cell parameters: 10.981; 16.009; 19.987; 90; 90; 90;  

COD ID: 1518736
CIF file Formula: - C55 H48 N2 O3 -
Comments: Nielsen, Christian Benedikt Orea; Sørensen, Henning Osholm; Kongsted, Jacob Comparison between Theoretically and Experimentally Determined Electronic Properties: Applications to Two-Photon Singlet Oxygen Sensitizers. The journal of physical chemistry. A 119(10) (2015) 1906-1916
Space group: P -1
Cell volume: 2075.7
Cell parameters: 10.069; 13.876; 16.5; 109.803; 94.46; 103.692;  

COD ID: 1518737
CIF file Formula: - C55 H44 N2 O2 -
Comments: Nielsen, Christian Benedikt Orea; Sørensen, Henning Osholm; Kongsted, Jacob Comparison between Theoretically and Experimentally Determined Electronic Properties: Applications to Two-Photon Singlet Oxygen Sensitizers. The journal of physical chemistry. A 119(10) (2015) 1906-1916
Space group: P -1
Cell volume: 1027.2
Cell parameters: 8.5037; 9.8109; 13.1211; 92.898; 97.615; 107.974;  

COD ID: 1518931
CIF file Formula: - C37.5 H4 Br8 Cl F15 N4 -
Comments: Capar, Jan; Conradie, Jeanet; Beavers, Christine M.; Ghosh, Abhik Molecular structures of free-base corroles: nonplanarity, chirality, and enantiomerization. The journal of physical chemistry. A 119(14) (2015) 3452-3457
Space group: C 1 2/c 1
Cell volume: 8091.4
Cell parameters: 21.7652; 20.7937; 17.9564; 90; 95.343; 90;  

COD ID: 1519650
CIF file Formula: - C52 H45 N3 O6 -
Comments: Heinz, Luisa G.; Yushchenko, Oleksandr; Neuburger, Markus; Vauthey, Eric; Wenger, Oliver S. Tetramethoxybenzene is a Good Building Block for Molecular Wires: Insights from Photoinduced Electron Transfer. The journal of physical chemistry. A 119(22) (2015) 5676
Space group: P -1
Cell volume: 4218.8
Cell parameters: 11.8085; 15.4553; 25.507; 73.327; 88.656; 71.56;  

COD ID: 1519687
CIF file Formula: - C59 H41 Eu F18 O8 P2 Ru2 -
Comments: Hasegawa, Yasuchika; Sato, Nao; Hirai, Yuichi; Nakanishi, Takayuki; Kitagawa, Yuichi; Kobayashi, Atsushi; Kato, Masako; Seki, Tomohiro; Ito, Hajime; Fushimi, Koji Enhanced electric dipole transition in lanthanide complex with organometallic ruthenocene units. The journal of physical chemistry. A 119(20) (2015) 4825-4833
Space group: C 1 2/c 1
Cell volume: 6099.1
Cell parameters: 19.8829; 17.3599; 17.7114; 90; 93.9113; 90;  

COD ID: 1519688
CIF file Formula: - C49 H31 Eu F18 O8 P2 Ru -
Comments: Hasegawa, Yasuchika; Sato, Nao; Hirai, Yuichi; Nakanishi, Takayuki; Kitagawa, Yuichi; Kobayashi, Atsushi; Kato, Masako; Seki, Tomohiro; Ito, Hajime; Fushimi, Koji Enhanced electric dipole transition in lanthanide complex with organometallic ruthenocene units. The journal of physical chemistry. A 119(20) (2015) 4825-4833
Space group: P -1
Cell volume: 5307.3
Cell parameters: 13.2288; 15.9521; 25.7223; 89.205; 78.7105; 85.587;  

COD ID: 1519689
CIF file Formula: - C28 H21 N -
Comments: Sasaki, Shunsuke; Hattori, Kengo; Igawa, Kazunobu; Konishi, Gen-Ichi Directional Control of π-Conjugation Enabled by Distortion of the Donor Plane in Diarylaminoanthracenes: A Photophysical Study. The journal of physical chemistry. A 119(20) (2015) 4898-4906
Space group: P 1 21/n 1
Cell volume: 1914.1
Cell parameters: 11.152; 12.874; 13.332; 90; 90.179; 90;  

COD ID: 1519690
CIF file Formula: - C26 H19 N -
Comments: Sasaki, Shunsuke; Hattori, Kengo; Igawa, Kazunobu; Konishi, Gen-Ichi Directional Control of π-Conjugation Enabled by Distortion of the Donor Plane in Diarylaminoanthracenes: A Photophysical Study. The journal of physical chemistry. A 119(20) (2015) 4898-4906
Space group: P 1 21/c 1
Cell volume: 1779.4
Cell parameters: 12.939; 8.692; 16.454; 90; 105.933; 90;  

COD ID: 1520293
CIF file Formula: - C5 H5 Br2 N -
Comments: Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V. Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies. The journal of physical chemistry. A 119(18) (2015) 4108-4117
Space group: P c a 21
Cell volume: 706.45
Cell parameters: 14.2564; 4.6063; 10.7577; 90; 90; 90;  

COD ID: 1520294
CIF file Formula: - C7 H10 Cl N -
Comments: Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V. Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies. The journal of physical chemistry. A 119(18) (2015) 4108-4117
Space group: P b c a
Cell volume: 1537.77
Cell parameters: 7.3965; 14.3362; 14.5021; 90; 90; 90;  

COD ID: 1520295
CIF file Formula: - C5 H7 Br2 Cl N2 O -
Comments: Rumyantsev, Misha; Sitnikov, Nikolay S.; Somov, Nikolay V. Hydrogen-bond-assisted organocatalytic acetalization of secondary alcohols: experimental and theoretical studies. The journal of physical chemistry. A 119(18) (2015) 4108-4117
Space group: P 1 21/n 1
Cell volume: 949.9
Cell parameters: 10.8192; 16.9726; 6.8298; 90; 130.762; 90;  

COD ID: 1520381
CIF file Formula: - C21 H31 N3 O2 -
Comments: Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism. The journal of physical chemistry. A 119(24) (2015) 6223-6231
Space group: P 1 n 1
Cell volume: 988.43
Cell parameters: 4.6265; 5.6189; 38.026; 90; 90.753; 90;  

COD ID: 1520382
CIF file Formula: - C44 H67 I Li N7 O5 -
Comments: Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism. The journal of physical chemistry. A 119(24) (2015) 6223-6231
Space group: P -1
Cell volume: 2274.31
Cell parameters: 9.7164; 12.2827; 20.5362; 89.4219; 77.1355; 72.4856;  

COD ID: 1520383
CIF file Formula: - C37 H67 Cl N4 O2 -
Comments: Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism. The journal of physical chemistry. A 119(24) (2015) 6223-6231
Space group: P 1 21/c 1
Cell volume: 11606.1
Cell parameters: 7.72739; 52.0258; 28.9218; 90; 93.4544; 90;  

COD ID: 1520384
CIF file Formula: - C37 H66 N4 O4 -
Comments: Nakane, Yuta; Takeda, Takashi; Hoshino, Norihisa; Sakai, Ken-Ichi; Akutagawa, Tomoyuki Cation-Anion Dual Sensing of a Fluorescent Quinoxalinone Derivative Using Lactam-Lactim Tautomerism. The journal of physical chemistry. A 119(24) (2015) 6223-6231
Space group: P -1
Cell volume: 3890.8
Cell parameters: 8.0639; 16.5724; 29.689; 79.436; 86.017; 89.75;  

COD ID: 1529344
CIF file Formula: - C13 H18 Br O6 P S -
Comments: Rodrigues, Alessandro; Olivato, Paulo R.; Zukerman-Schpector, Julio; Maganhi, Stella H.; Reis, Adriana K. C. A.; Tiekink, Edward R. T. Molecular Structures of Isomeric Ortho, Meta, and Para Bromo-Substituted α-Methylsulfonyl-α-diethoxyphosphoryl Acetophenones by X-ray and DFT Molecular Orbital Calculations. The journal of physical chemistry. A 119(32) (2015) 8714-8723
Space group: P 1 21/c 1
Cell volume: 1799.4
Cell parameters: 12.3376; 19.514; 7.6624; 90; 102.727; 90;  

COD ID: 1529713
CIF file Formula: - C45 H35 B2 F4 N5 -
Comments: Kumar, Sunit; Gobeze, Habtom B.; Chatterjee, Tamal; D'Souza, Francis; Ravikanth, Mangalampalli Directly Connected AzaBODIPY-BODIPY Dyad: Synthesis, Crystal Structure, and Ground- and Excited-State Interactions. The journal of physical chemistry. A 119(30) (2015) 8338-8348
Space group: P 1 21/n 1
Cell volume: 3744
Cell parameters: 16.679; 11.552; 19.833; 90; 101.57; 90;  

COD ID: 1540571
CIF file Formula: - C11 H14 N2 -
Comments: Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A. Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT. The journal of physical chemistry. A 119(49) (2015) 11820-11836
Space group: P n m a
Cell volume: 1024.22
Cell parameters: 8.917; 7.6126; 15.0884; 90; 90; 90;  

COD ID: 1540572
CIF file Formula: - C15 H22 N2 -
Comments: Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A. Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT. The journal of physical chemistry. A 119(49) (2015) 11820-11836
Space group: P 1 21 1
Cell volume: 695.4
Cell parameters: 8.4033; 8.2068; 10.092; 90; 92.33; 90;  

COD ID: 1540573
CIF file Formula: - C12 H12 N2 -
Comments: Druzhinin, Sergey I.; Galievsky, Victor A.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Dubbaka, Srinivas R.; Knochel, Paul; Mayer, Peter; Grosse, Christian; Stalke, Dietmar; Zachariasse, Klaas A. Two-State Intramolecular Charge Transfer (ICT) with 3,5-Dimethyl-4-(dimethylamino)benzonitrile (MMD) and Its Meta-Isomer mMMD. Ground State Amino Twist Not Essential for ICT. The journal of physical chemistry. A 119(49) (2015) 11820-11836
Space group: P -1
Cell volume: 481.4
Cell parameters: 6.575; 7.956; 9.875; 90.42; 107.21; 101.99;  

COD ID: 1540706
CIF file Formula: - C7 H5 N O4 -
Comments: Zhurov, Vladimir V.; Pinkerton, A. Alan Inter- and Intramolecular Interactions in Crystalline 2-Nitrobenzoic Acid-An Experimental and Theoretical QTAIM Analysis. The journal of physical chemistry. A 119(52) (2015) 13092-13100
Space group: P -1
Cell volume: 337.15
Cell parameters: 4.9472; 7.4767; 10.3691; 68.856; 86.708; 70.864;  

COD ID: 1553992
CIF file Formula: - C16 H19 I N4 O4 -
Comments: Rosokha, Sergiy V.; Loboda, Eric A. Interplay of Halogen and π-π Charge-Transfer Bondings in Intermolecular Associates of Bromo- or Iododinitrobenzene with Tetramethyl-p-phenylenediamine. The journal of physical chemistry. A 119(16) (2015) 3833-3842
Space group: P -1
Cell volume: 883.62
Cell parameters: 7.0211; 8.3237; 15.1967; 86.651; 85.306; 89.485;  

COD ID: 1553993
CIF file Formula: - C16 H19 Br N4 O4 -
Comments: Rosokha, Sergiy V.; Loboda, Eric A. Interplay of Halogen and π-π Charge-Transfer Bondings in Intermolecular Associates of Bromo- or Iododinitrobenzene with Tetramethyl-p-phenylenediamine. The journal of physical chemistry. A 119(16) (2015) 3833-3842
Space group: P -1
Cell volume: 861.63
Cell parameters: 6.9478; 8.2799; 15.0522; 94.6594; 93.2402; 90.2781;  

COD ID: 1553994
CIF file Formula: - C18 H18 B Cl N2 O3 -
Comments: Golub, Igor E.; Gulyaeva, Ekaterina S.; Filippov, Oleg A.; Dyadchenko, Victor P.; Belkova, Natalia V.; Epstein, Lina M.; Arkhipov, Dmitry E.; Shubina, Elena S. Dihydrogen bond intermediated alcoholysis of dimethylamine-borane in nonaqueous media. The journal of physical chemistry. A 119(16) (2015) 3853-3868
Space group: P 1 21/n 1
Cell volume: 1691.63
Cell parameters: 7.7528; 19.1764; 11.3962; 90; 93.209; 90;  

COD ID: 1553995
CIF file Formula: - C10 H16 B F12 N O4 -
Comments: Golub, Igor E.; Gulyaeva, Ekaterina S.; Filippov, Oleg A.; Dyadchenko, Victor P.; Belkova, Natalia V.; Epstein, Lina M.; Arkhipov, Dmitry E.; Shubina, Elena S. Dihydrogen bond intermediated alcoholysis of dimethylamine-borane in nonaqueous media. The journal of physical chemistry. A 119(16) (2015) 3853-3868
Space group: P 1 21/n 1
Cell volume: 1766.5
Cell parameters: 9.4694; 13.2943; 14.0325; 90; 90.038; 90;  

COD ID: 1553996
CIF file Formula: - C12 H25.95 Cd N6 O8.98 -
Comments: Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline Models for Copper Dynamic Behavior in Doped Cadmium dl-Histidine Crystals: Electron Paramagnetic Resonance and Crystallographic Analysis. The journal of physical chemistry. A 119(45) (2015) 11119-11127
Space group: P 1 21/c 1
Cell volume: 3892
Cell parameters: 12.1161; 29.0903; 11.0501; 90; 92.127; 90;  

COD ID: 1553997
CIF file Formula: - C12 H25.8 Cd N6 O8.9 -
Comments: Colaneri, Michael J.; Teat, Simon J.; Vitali, Jacqueline Models for Copper Dynamic Behavior in Doped Cadmium dl-Histidine Crystals: Electron Paramagnetic Resonance and Crystallographic Analysis. The journal of physical chemistry. A 119(45) (2015) 11119-11127
Space group: P 1 21/c 1
Cell volume: 4008.5
Cell parameters: 12.2555; 29.4689; 11.1087; 90; 92.396; 90;  

COD ID: 1553998
CIF file Formula: - C29 H21 Cl N -
Comments: Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K. Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching. The journal of physical chemistry. A 119(42) (2015) 10481-10493
Space group: P -1
Cell volume: 1058.1
Cell parameters: 9.9486; 10.079; 10.8072; 100.318; 90.072; 96.899;  

COD ID: 1553999
CIF file Formula: - C18 H14 O2 -
Comments: Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K. Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching. The journal of physical chemistry. A 119(42) (2015) 10481-10493
Space group: P 1 21/c 1
Cell volume: 1419.5
Cell parameters: 7.2042; 15.6697; 12.5803; 90; 91.753; 90;  

COD ID: 1554000
CIF file Formula: - C18 H15 N -
Comments: Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K. Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching. The journal of physical chemistry. A 119(42) (2015) 10481-10493
Space group: P 1 21/c 1
Cell volume: 1447.9
Cell parameters: 9.872; 12.082; 12.46; 90; 103.028; 90;  

COD ID: 1554001
CIF file Formula: - C17 H12 O -
Comments: Pati, Avik Kumar; Gharpure, Santosh J.; Mishra, Ashok K. Contrasting Solid-State Fluorescence of Diynes with Small and Large Aryl Substituents: Crystal Packing Dependence and Stimuli-Responsive Fluorescence Switching. The journal of physical chemistry. A 119(42) (2015) 10481-10493
Space group: P 1 21/c 1
Cell volume: 1296.1
Cell parameters: 13.8324; 9.3533; 10.2395; 90; 101.943; 90;  

COD ID: 1554002
CIF file Formula: - C16 H24 N5 O -
Comments: Haller, Benjamin C.; Chambers, Dallas; Cheng, Ran; Chemistruck, Victoria; Hom, Timothy F.; Li, Zhengzheng; Nguyen, Jeffrey; Ichimura, Andrew; Brook, David J. R. Oxidation of Electron Donor-Substituted Verdazyls: Building Blocks for Molecular Switches. The journal of physical chemistry. A 119(43) (2015) 10750-10760
Space group: P 1 21/n 1
Cell volume: 1655.9
Cell parameters: 5.89; 14.574; 19.326; 90; 93.463; 90;  

COD ID: 1554003
CIF file Formula: - C17 H25 F3 N5 O4 S -
Comments: Haller, Benjamin C.; Chambers, Dallas; Cheng, Ran; Chemistruck, Victoria; Hom, Timothy F.; Li, Zhengzheng; Nguyen, Jeffrey; Ichimura, Andrew; Brook, David J. R. Oxidation of Electron Donor-Substituted Verdazyls: Building Blocks for Molecular Switches. The journal of physical chemistry. A 119(43) (2015) 10750-10760
Space group: P 1 21/c 1
Cell volume: 4433.35
Cell parameters: 16.865; 13.1791; 19.9462; 90; 90.015; 90;  

COD ID: 1554004
CIF file Formula: - C16 H24 N5 O -
Comments: Haller, Benjamin C.; Chambers, Dallas; Cheng, Ran; Chemistruck, Victoria; Hom, Timothy F.; Li, Zhengzheng; Nguyen, Jeffrey; Ichimura, Andrew; Brook, David J. R. Oxidation of Electron Donor-Substituted Verdazyls: Building Blocks for Molecular Switches. The journal of physical chemistry. A 119(43) (2015) 10750-10760
Space group: P 1 21 1
Cell volume: 835.4
Cell parameters: 8.054; 5.95; 17.507; 90; 95.31; 90;  


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