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Information card for entry 2008968
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| Coordinates | 2008968.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Phenyl(diisopropylamino)-chlorophosphine sulphide |
|---|---|
| Formula | C12 H19 Cl N P S |
| Calculated formula | C12 H19 Cl N P S |
| SMILES | P(=S)(Cl)(N(C(C)C)C(C)C)c1ccccc1 |
| Title of publication | Chloro(diisopropylamino)(phenyl)phosphine sulfide |
| Authors of publication | S.Renganayaki; E.Subramanian; S.Shanmuga Sundara Raj; Hoong-Kun Fun |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1999 |
| Journal volume | 55 |
| Journal issue | 9 |
| Pages of publication | 1525 - 1526 |
| a | 8.6086 ± 0.0003 Å |
| b | 11.5661 ± 0.0004 Å |
| c | 14.765 ± 0.0005 Å |
| α | 90° |
| β | 91.554 ± 0.001° |
| γ | 90° |
| Cell volume | 1469.58 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1601 |
| Residual factor for significantly intense reflections | 0.0619 |
| Weighted residual factors for all reflections included in the refinement | 0.125 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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