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Information card for entry 2205197
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| Coordinates | 2205197.cif |
|---|---|
| Structure factors | 2205197.hkl |
| Original IUCr paper | HTML |
| Chemical name | 10-(4-Fluorobenzylidene)anthrone |
|---|---|
| Formula | C21 H13 F O |
| Calculated formula | C21 H13 F O |
| SMILES | Fc1ccc(C=C2c3ccccc3C(=O)c3ccccc23)cc1 |
| Title of publication | 10-(4-Fluorobenzylidene)anthrone |
| Authors of publication | Wei Zhou; Weixiao Hu; Luping Lv; Chunnian Xia |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 3 |
| Pages of publication | o592 - o593 |
| a | 10.044 ± 0.006 Å |
| b | 11.398 ± 0.003 Å |
| c | 13.82 ± 0.003 Å |
| α | 90° |
| β | 109.79 ± 0.04° |
| γ | 90° |
| Cell volume | 1488.7 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0506 |
| Residual factor for significantly intense reflections | 0.0333 |
| Weighted residual factors for significantly intense reflections | 0.0934 |
| Weighted residual factors for all reflections included in the refinement | 0.1032 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
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