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Information card for entry 2007275
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| Coordinates | 2007275.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | 1-phenyl-2,5-dibromo-3,4-dimethyl-2,5-dihydrophosphole sulfide |
|---|---|
| Formula | C12 H13 Br2 P S |
| Calculated formula | C12 H13 Br2 P S |
| SMILES | Br[C@H]1P(=S)([C@@H](Br)C(=C1C)C)c1ccccc1 |
| Title of publication | Key Intermediates in the Synthesis of 2,2'-Biphosphole |
| Authors of publication | Tissot, Olivier; Gouygou, Maryse; Daran, Jean-Claude; Balavoine, Gilbert |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1998 |
| Journal volume | 54 |
| Journal issue | 5 |
| Pages of publication | 676 - 679 |
| a | 7.843 ± 0.001 Å |
| b | 26.024 ± 0.003 Å |
| c | 14.003 ± 0.002 Å |
| α | 90° |
| β | 96.95 ± 0.02° |
| γ | 90° |
| Cell volume | 2837.1 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0908 |
| Residual factor for significantly intense reflections | 0.0509 |
| Weighted residual factors for all reflections | 0.1495 |
| Weighted residual factors for significantly intense reflections | 0.1416 |
| Goodness-of-fit parameter for all reflections | 1.193 |
| Goodness-of-fit parameter for significantly intense reflections | 1.531 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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