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Information card for entry 2005584
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| Coordinates | 2005584.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 5-Phenylindazole |
|---|---|
| Formula | C13 H10 N2 |
| Calculated formula | C13 H10 N2 |
| Title of publication | 5-Phenylindazole |
| Authors of publication | Hager, O.; Foces-Foces, C.; Jagerovic, N.; Elguero, J.; Trofimenko, S. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 11 |
| Pages of publication | 2894 - 2896 |
| a | 5.974 ± 0.0004 Å |
| b | 8.2261 ± 0.0007 Å |
| c | 40.685 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1999.4 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for all reflections | 0.057 |
| Weighted residual factors for significantly intense reflections | 0.044 |
| Goodness-of-fit parameter for all reflections | 0.456 |
| Goodness-of-fit parameter for significantly intense reflections | 0.424 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.