Crystallography Open Database

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Searching journal of publication like 'The journal of physical chemistry. A' volume of publication is 114

COD ID: 1502675
CIF file Formula: - B F3 H3 N -
Comments: Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts. The journal of physical chemistry. A 114(37) (2010) 10185-10196
Space group: P b c a
Cell volume: 587.07
Cell parameters: 8.0067; 7.9511; 9.2216; 90; 90; 90;  

COD ID: 1502676
CIF file Formula: - B H7 N2 -
Comments: Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts. The journal of physical chemistry. A 114(37) (2010) 10185-10196
Space group: P b c n
Cell volume: 625.37
Cell parameters: 12.974; 5.0702; 9.5069; 90; 90; 90;  

COD ID: 1502678
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 881.89
Cell parameters: 8.4011; 10.7176; 11.4368; 67.813; 83.709; 67.757;  

COD ID: 1502679
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 872.67
Cell parameters: 8.4065; 10.7888; 11.3346; 66.999; 86.542; 67.967;  

COD ID: 1502680
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 887.73
Cell parameters: 8.4124; 10.7275; 11.4652; 67.875; 84.032; 67.981;  

COD ID: 1502681
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 878.61
Cell parameters: 8.4248; 10.8144; 11.364; 66.894; 86.649; 68.06;  

COD ID: 1502682
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 866.65
Cell parameters: 8.4113; 10.8816; 11.4046; 65.404; 86.157; 66.822;  

COD ID: 1502683
CIF file Formula: - C44 H40 N2 O4 -
Comments: Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound. The journal of physical chemistry. A 114(27) (2010) 7377-7381
Space group: P -1
Cell volume: 860.25
Cell parameters: 8.3944; 10.8552; 11.3656; 65.502; 86.065; 66.745;  

COD ID: 1502703
CIF file Formula: - F N3 O2 S -
Comments: Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3). The journal of physical chemistry. A 114(28) (2010) 7624-7630
Space group: C 1 c 1
Cell volume: 405.27
Cell parameters: 7.0017; 13.5124; 5.017; 90; 121.37; 90;  

COD ID: 1502704
CIF file Formula: - C F3 N3 O2 S -
Comments: Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3). The journal of physical chemistry. A 114(28) (2010) 7624-7630
Space group: P 1 21/c 1
Cell volume: 579.99
Cell parameters: 5.0666; 17.0136; 7.0041; 90; 106.13; 90;  

COD ID: 1502705
CIF file Formula: - C23 H28 N2 -
Comments: Cruz, A. J.; Siam, K.; Moore, C.; Islam, M.; Rillema, D. P. Dicyano and pyridine derivatives of retinal: synthesis and vibronic, electronic, and photophysical properties. The journal of physical chemistry. A 114(25) (2010) 6766-6775
Space group: P 1 21/n 1
Cell volume: 2064.5
Cell parameters: 10.296; 11.5493; 17.6364; 90; 100.126; 90;  

COD ID: 1502706
CIF file Formula: - C27 H32 N2 -
Comments: Cruz, A. J.; Siam, K.; Moore, C.; Islam, M.; Rillema, D. P. Dicyano and pyridine derivatives of retinal: synthesis and vibronic, electronic, and photophysical properties. The journal of physical chemistry. A 114(25) (2010) 6766-6775
Space group: P -1
Cell volume: 1160.61
Cell parameters: 6.8351; 7.4409; 24.397; 89.25; 85.685; 69.736;  

COD ID: 1502714
CIF file Formula: - C12 O12 Ru3 -
Comments: Gervasio, Giuliana; Marabello, Domenica; Bianchi, Riccardo; Forni, Alessandra Detection of weak intramolecular interactions in Ru(3)(CO)(12) by topological analysis of charge density distributions. The journal of physical chemistry. A 114(34) (2010) 9368-9373
Space group: P 1 21/n 1
Cell volume: 1653.79
Cell parameters: 7.9959; 14.6373; 14.3746; 90; 100.578; 90;  

COD ID: 1502721
CIF file Formula: - C4 H9 Li2 Mo N O9 -
Comments: Deb, Dibakar; Giri, Santanab; Chattaraj, Pratim K.; Bhattacharjee, Manish Synthesis and structure of a 3D porous network containing aromatic 1D chains of Li(6) rings: experimental and computational studies. The journal of physical chemistry. A 114(40) (2010) 10871-10877
Space group: C 1 2/m 1
Cell volume: 960.82
Cell parameters: 13.0031; 14.4347; 5.1506; 90; 96.347; 90;  

COD ID: 1502722
CIF file Formula: - C7 H8 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: C 1 2/c 1
Cell volume: 2752.22
Cell parameters: 19.7305; 7.5421; 19.521; 90; 108.659; 90;  

COD ID: 1502723
CIF file Formula: - C8 H10 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P -1
Cell volume: 798.66
Cell parameters: 7.76; 8.5323; 12.8473; 86.484; 86.143; 70.363;  

COD ID: 1502724
CIF file Formula: - C8 H10 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P c c n
Cell volume: 1570.4
Cell parameters: 12.7255; 15.1322; 8.1552; 90; 90; 90;  

COD ID: 1502725
CIF file Formula: - C9 H12 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P 1 21/c 1
Cell volume: 1847.46
Cell parameters: 16.3623; 9.5058; 12.8922; 90; 112.879; 90;  

COD ID: 1502726
CIF file Formula: - C9 H12 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: C 1 2/c 1
Cell volume: 1814.8
Cell parameters: 15.0714; 9.4669; 12.7208; 90; 90.861; 90;  

COD ID: 1502727
CIF file Formula: - C10 H14 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: R 3 c :H
Cell volume: 4614.43
Cell parameters: 23.5657; 23.5657; 9.5946; 90; 90; 120;  

COD ID: 1502728
CIF file Formula: - C10 H14 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P 1 21/n 1
Cell volume: 3041.73
Cell parameters: 9.8731; 10.0067; 30.9126; 90; 95.154; 90;  

COD ID: 1502729
CIF file Formula: - C11 H16 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P b c a
Cell volume: 2219.09
Cell parameters: 11.0135; 10.1491; 19.8528; 90; 90; 90;  

COD ID: 1502730
CIF file Formula: - C16 H20 N2 O -
Comments: Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari Self-organization of 2-acylaminopyridines in the solid state and in solution. The journal of physical chemistry. A 114(38) (2010) 10421-10426
Space group: P c c n
Cell volume: 2704.41
Cell parameters: 9.8846; 27.5538; 9.9296; 90; 90; 90;  

COD ID: 1502732
CIF file Formula: - C21 H17 N O -
Comments: Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Helliwell, Madeleine; Brunschwig, Bruce S.; Asselberghs, Inge; Clays, Koen; Olesiak, Joanna; Matczyszyn, Katarzyna; Samoc, Marek Quadratic and cubic nonlinear optical properties of salts of diquat-based chromophores with diphenylamino substituents. The journal of physical chemistry. A 114(45) (2010) 12028-12041
Space group: P 1 21/c 1
Cell volume: 1552.1
Cell parameters: 8.966; 18.422; 10.4846; 90; 116.327; 90;  

COD ID: 1502733
CIF file Formula: - C38.5 H38.75 F12 N3.25 O0.5 P2 -
Comments: Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Helliwell, Madeleine; Brunschwig, Bruce S.; Asselberghs, Inge; Clays, Koen; Olesiak, Joanna; Matczyszyn, Katarzyna; Samoc, Marek Quadratic and cubic nonlinear optical properties of salts of diquat-based chromophores with diphenylamino substituents. The journal of physical chemistry. A 114(45) (2010) 12028-12041
Space group: P -1
Cell volume: 2150.1
Cell parameters: 8.0652; 13.81; 20.684; 106.539; 99.424; 96.092;  

COD ID: 1502736
CIF file Formula: - C24 H25 N O2 -
Comments: Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J. Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases. The journal of physical chemistry. A 114(47) (2010) 12522-12530
Space group: P 21 21 21
Cell volume: 1993.6
Cell parameters: 6.1987; 16.054; 20.033; 90; 90; 90;  

COD ID: 1502737
CIF file Formula: - C24 H25 N O3 -
Comments: Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J. Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases. The journal of physical chemistry. A 114(47) (2010) 12522-12530
Space group: P 1 21 1
Cell volume: 1011.3
Cell parameters: 11.414; 8.499; 11.529; 90; 115.28; 90;  

COD ID: 1502739
CIF file Formula: - C12 H4 Fe3 O11 -
Comments: Farrugia, Louis J.; Senn, Hans Martin Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10. The journal of physical chemistry. A 114(51) (2010) 13418-13433
Space group: P 1 21/c 1
Cell volume: 1640.61
Cell parameters: 7.4672; 16.4731; 13.7414; 90; 103.927; 90;  

COD ID: 1502740
CIF file Formula: - C12 H4 Fe3 O11 -
Comments: Farrugia, Louis J.; Senn, Hans Martin Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10. The journal of physical chemistry. A 114(51) (2010) 13418-13433
Space group: P 1 21/c 1
Cell volume: 1640.61
Cell parameters: 7.4672; 16.4731; 13.7414; 90; 103.927; 90;  

COD ID: 1502741
CIF file Formula: - C10 H8 Cl N O -
Comments: Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A 114(51) (2010) 13434-13441
Space group: P -1
Cell volume: 414
Cell parameters: 7.088; 7.22; 9.14; 92.55; 106.95; 110.32;  

COD ID: 1502742
CIF file Formula: - C5 H4 Cl N O -
Comments: Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A 114(51) (2010) 13434-13441
Space group: F d d 2
Cell volume: 2173.08
Cell parameters: 23.1021; 25.1758; 3.7363; 90; 90; 90;  

COD ID: 1502743
CIF file Formula: - C11 H9 Cl2 N -
Comments: Hathwar, Venkatesha R.; Guru Row, Tayur N. Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry. The journal of physical chemistry. A 114(51) (2010) 13434-13441
Space group: P 1 21/c 1
Cell volume: 1012.6
Cell parameters: 14.98; 4.5662; 14.858; 90; 94.87; 90;  

COD ID: 1502744
CIF file Formula: - C20 H14 O -
Comments: Schwerin, Andrew F.; Johnson, Justin C.; Smith, Millicent B.; Sreearunothai, Paiboon; Popović, Duska; Cerný, Jirí; Havlas, Zdenek; Paci, Irina; Akdag, Akin; MacLeod, Matthew K.; Chen, Xudong; David, Donald E.; Ratner, Mark A.; Miller, John R.; Nozik, Arthur J.; Michl, Josef Toward designed singlet fission: electronic states and photophysics of 1,3-diphenylisobenzofuran. The journal of physical chemistry. A 114(3) (2010) 1457-1473
Space group: P 1 2/c 1
Cell volume: 1374.51
Cell parameters: 12.8954; 5.5486; 20.0322; 90; 106.472; 90;  

COD ID: 1502745
CIF file Formula: - C18 H14 N2 O4 -
Comments: Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals. The journal of physical chemistry. A 114(1) (2010) 172-182
Space group: P 1 21/n 1
Cell volume: 1520.7
Cell parameters: 19.3408; 3.8902; 20.212; 90; 90.594; 90;  

COD ID: 1502746
CIF file Formula: - C18 H14 N2 O4 -
Comments: Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals. The journal of physical chemistry. A 114(1) (2010) 172-182
Space group: P -1
Cell volume: 758.1
Cell parameters: 6.3063; 10.8492; 12.374; 107.847; 98.976; 103.827;  

COD ID: 1502760
CIF file Formula: - C47 H49 N3 -
Comments: Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A 114(2) (2010) 884-890
Space group: P b c a
Cell volume: 8073
Cell parameters: 11.408; 25.189; 28.093; 90; 90; 90;  

COD ID: 1502761
CIF file Formula: - C61 H61 N3 -
Comments: Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A 114(2) (2010) 884-890
Space group: P -1
Cell volume: 2377.3
Cell parameters: 11.4828; 12.8037; 17.557; 103.938; 103.837; 98.1698;  

COD ID: 1502762
CIF file Formula: - C61 H61 N3 O -
Comments: Suwa, Kazuya; Otsuki, Joe; Goto, Kei Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines. The journal of physical chemistry. A 114(2) (2010) 884-890
Space group: P -1
Cell volume: 4825
Cell parameters: 13.967; 17.661; 20.091; 95.541; 99.166; 96.727;  

COD ID: 1516284
CIF file Formula: - C4 H10 N2 O5 Zn -
Comments: Mroué, Kamal H; Power, William P. High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes. The journal of physical chemistry. A 114(1) (2010) 324-335
Space group: P -1
Cell volume: 766.9
Cell parameters: 9.09; 9.537; 10.42; 106.112; 105.815; 106.854;  

COD ID: 1516285
CIF file Formula: - C6 H8 Cl2 N4 Zn -
Comments: Mroué, Kamal H; Power, William P. High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes. The journal of physical chemistry. A 114(1) (2010) 324-335
Space group: P 1 21/n 1
Cell volume: 1027.45
Cell parameters: 7.9306; 11.7739; 11.4156; 90; 105.441; 90;  

COD ID: 1516286
CIF file Formula: - C6 H22 N2 Na2 O10 S2 Zn -
Comments: Mroué, Kamal H; Power, William P. High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes. The journal of physical chemistry. A 114(1) (2010) 324-335
Space group: C 1 2 1
Cell volume: 1804.67
Cell parameters: 5.1893; 23.2065; 15.0008; 90; 92.561; 90;  


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