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Information card for entry 2005155
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| Coordinates | 2005155.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (Pentafluorophhenyl)diphenylphosphine. |
|---|---|
| Formula | C18 H10 F5 P |
| Calculated formula | C18 H10 F5 P |
| SMILES | P(c1c(F)c(F)c(F)c(F)c1F)(c1ccccc1)c1ccccc1 |
| Title of publication | (Pentafluorophenyl)diphenylphosphine |
| Authors of publication | bin Shawkataly, O.; Chong, M.-L.; Fun, H.-K.; Sivakumar, K. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1996 |
| Journal volume | 52 |
| Journal issue | 7 |
| Pages of publication | 1725 - 1727 |
| a | 16.363 ± 0.002 Å |
| b | 5.8964 ± 0.0004 Å |
| c | 16.347 ± 0.001 Å |
| α | 90° |
| β | 96.84 ± 0.01° |
| γ | 90° |
| Cell volume | 1566 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0759 |
| Residual factor for significantly intense reflections | 0.0402 |
| Weighted residual factors for all reflections | 0.1266 |
| Weighted residual factors for significantly intense reflections | 0.1027 |
| Goodness-of-fit parameter for all reflections | 0.921 |
| Goodness-of-fit parameter for significantly intense reflections | 0.972 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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