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Information card for entry 2204492
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| Coordinates | 2204492.cif |
|---|---|
| Structure factors | 2204492.hkl |
| Original IUCr paper | HTML |
| Chemical name | p-Anisolecarbonitrile |
|---|---|
| Formula | C8 H7 N O |
| Calculated formula | C8 H7 N O |
| SMILES | C(#N)c1ccc(cc1)OC |
| Title of publication | <i>p</i>-Anisolecarbonitrile |
| Authors of publication | Lesley, M. J. Gerald; Pineau, Mark R.; Hunter, Allen D.; Zeller, Matthias |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 11 |
| Pages of publication | o1937 - o1938 |
| a | 7.5924 ± 0.0007 Å |
| b | 8.6639 ± 0.0008 Å |
| c | 21.7191 ± 0.0019 Å |
| α | 90° |
| β | 107.396 ± 0.002° |
| γ | 90° |
| Cell volume | 1363.3 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.0466 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.112 |
| Weighted residual factors for all reflections included in the refinement | 0.1147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.087 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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