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Information card for entry 2103075
Preview
Coordinates | 2103075.cif |
---|---|
Original IUCr paper | HTML |
External links | ChemSpider |
Chemical name | 8-methyl-7-(4-pyridinyl)-10-phenyl-10H- benzo[h]pyrazolo[3,4-b]quinoline |
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Formula | C26 H18 N4 |
Calculated formula | C26 H18 N4 |
SMILES | c1cccc2ccc3c(c4ccncc4)c4c(C)nn(c5ccccc5)c4nc3c12 |
Title of publication | Structural comparisons of isomeric series of 7-aryl-benzo[<i>h</i>]pyrazolo[3,4-<i>b</i>]quinolines and 11-aryl-benzo[<i>f</i>]pyrazolo[3,4-<i>b</i>]quinolines |
Authors of publication | Portilla, Jaime; Quiroga, Jairo; Nogueras, Manuel; de la Torre, Jose M.; Cobo, Justo; Low, John N.; Glidewell, Christopher |
Journal of publication | Acta Crystallographica Section B |
Year of publication | 2008 |
Journal volume | 64 |
Journal issue | 1 |
Pages of publication | 72 - 83 |
a | 11.356 ± 0.0003 Å |
b | 17.3507 ± 0.0005 Å |
c | 9.7577 ± 0.0002 Å |
α | 90° |
β | 97.262 ± 0.002° |
γ | 90° |
Cell volume | 1907.18 ± 0.08 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0954 |
Residual factor for significantly intense reflections | 0.0496 |
Weighted residual factors for significantly intense reflections | 0.1168 |
Weighted residual factors for all reflections included in the refinement | 0.1419 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/2103075.html
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