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Information card for entry 2204252
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| Coordinates | 2204252.cif |
|---|---|
| Structure factors | 2204252.hkl |
| Original IUCr paper | HTML |
| Formula | C22 H24 Br P |
|---|---|
| Calculated formula | C22 H24 Br P |
| SMILES | C(C(C)C)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-] |
| Title of publication | Isobutyltriphenylphosphonium bromide |
| Authors of publication | Czerwinski, Edmund W. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2004 |
| Journal volume | 60 |
| Journal issue | 9 |
| Pages of publication | o1601 - o1602 |
| a | 11.3309 ± 0.0003 Å |
| b | 9.8033 ± 0.0002 Å |
| c | 17.7075 ± 0.0003 Å |
| α | 90° |
| β | 106.487 ± 0.001° |
| γ | 90° |
| Cell volume | 1886.08 ± 0.07 Å3 |
| Cell temperature | 102 ± 2 K |
| Ambient diffraction temperature | 102 ± 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 | 0.046 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for all reflections included in the refinement | 0.112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.133 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
Version history
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Users of the data should acknowledge the original authors of the
structural data.