Crystallography Open Database

Result: there are 41 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

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

Left arrow Left arrow First | Left arrow Previous 20 | of 3 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Blue up arrow Bibliography
1502703 CIFF N3 O2 SC 1 c 17.0017; 13.5124; 5.017
90; 121.37; 90
405.27Zeng, 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, 2010, 114, 7624-7630
1502741 CIFC10 H8 Cl N OP -17.088; 7.22; 9.14
92.55; 106.95; 110.32
414Hathwar, 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, 2010, 114, 13434-13441
1502704 CIFC F3 N3 O2 SP 1 21/c 15.0666; 17.0136; 7.0041
90; 106.13; 90
579.99Zeng, 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, 2010, 114, 7624-7630
1502675 CIFB F3 H3 NP b c a8.0067; 7.9511; 9.2216
90; 90; 90
587.07Mebs, 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, 2010, 114, 10185-10196
1502676 CIFB H7 N2P b c n12.974; 5.0702; 9.5069
90; 90; 90
625.37Mebs, 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, 2010, 114, 10185-10196
1502746 CIFC18 H14 N2 O4P -16.3063; 10.8492; 12.374
107.847; 98.976; 103.827
758.1Sonoda, 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, 2010, 114, 172-182
1516284 CIFC4 H10 N2 O5 ZnP -19.09; 9.537; 10.42
106.112; 105.815; 106.854
766.9Mroué, 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, 2010, 114, 324-335
1502723 CIFC8 H10 N2 OP -17.76; 8.5323; 12.8473
86.484; 86.143; 70.363
798.66Ośmiałowski, 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, 2010, 114, 10421-10426
1502683 CIFC44 H40 N2 O4P -18.3944; 10.8552; 11.3656
65.502; 86.065; 66.745
860.25Cao, 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, 2010, 114, 7377-7381
1502682 CIFC44 H40 N2 O4P -18.4113; 10.8816; 11.4046
65.404; 86.157; 66.822
866.65Cao, 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, 2010, 114, 7377-7381
1502679 CIFC44 H40 N2 O4P -18.4065; 10.7888; 11.3346
66.999; 86.542; 67.967
872.67Cao, 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, 2010, 114, 7377-7381
1502681 CIFC44 H40 N2 O4P -18.4248; 10.8144; 11.364
66.894; 86.649; 68.06
878.61Cao, 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, 2010, 114, 7377-7381
1502678 CIFC44 H40 N2 O4P -18.4011; 10.7176; 11.4368
67.813; 83.709; 67.757
881.89Cao, 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, 2010, 114, 7377-7381
1502680 CIFC44 H40 N2 O4P -18.4124; 10.7275; 11.4652
67.875; 84.032; 67.981
887.73Cao, 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, 2010, 114, 7377-7381
1502721 CIFC4 H9 Li2 Mo N O9C 1 2/m 113.0031; 14.4347; 5.1506
90; 96.347; 90
960.82Deb, 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, 2010, 114, 10871-10877
1502737 CIFC24 H25 N O3P 1 21 111.414; 8.499; 11.529
90; 115.28; 90
1011.3Jaworska, 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, 2010, 114, 12522-12530
1502743 CIFC11 H9 Cl2 NP 1 21/c 114.98; 4.5662; 14.858
90; 94.87; 90
1012.6Hathwar, 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, 2010, 114, 13434-13441
1516285 CIFC6 H8 Cl2 N4 ZnP 1 21/n 17.9306; 11.7739; 11.4156
90; 105.441; 90
1027.45Mroué, 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, 2010, 114, 324-335
1502706 CIFC27 H32 N2P -16.8351; 7.4409; 24.397
89.25; 85.685; 69.736
1160.61Cruz, 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, 2010, 114, 6766-6775
1502744 CIFC20 H14 OP 1 2/c 112.8954; 5.5486; 20.0322
90; 106.472; 90
1374.51Schwerin, 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, 2010, 114, 1457-1473

Left arrow Left arrow First | Left arrow Previous 20 | of 3 | Next 20 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!