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Information card for entry 2101892
Preview
| Coordinates | 2101892.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C14 H14 N2 |
|---|---|
| Calculated formula | C14 H14 N2 |
| SMILES | Cc1cccc(c1)/N=N/c1cccc(c1)C |
| Title of publication | Molecular Motion and Conformational Interconversion of Azobenzenes in Crystals as Studied by X-ray Diffraction |
| Authors of publication | Harada, J.; Ogawa, K.; Tomoda, S. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 662 - 672 |
| a | 13.819 ± 0.003 Å |
| b | 11.805 ± 0.003 Å |
| c | 7.501 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1223.6 ± 0.4 Å3 |
| Cell temperature | 296 K |
| Ambient diffraction temperature | 296 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 | 0.1578 |
| Residual factor for significantly intense reflections | 0.0653 |
| Weighted residual factors for all reflections | 0.2385 |
| Weighted residual factors for significantly intense reflections | 0.1908 |
| Goodness-of-fit parameter for all reflections | 1.015 |
| Goodness-of-fit parameter for significantly intense reflections | 1.234 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mo_Kα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
Version history
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Users of the data should acknowledge the original authors of the
structural data.