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CIF Information Card
Information card for 1100177
1100176 << 1100177 >> 1100178Preview
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Coordinates |
1100177.cif |
Structure parameters
| Chemical name | (S,R)-1-Chloro-2-phenylethyl p-tolyl sulfoxide |
| Formula | - C15 H15 Cl O S - |
| Calculated formula | - C21 H22 Cl O S - |
| Authors of publication | R.W.Hoffmann; P.G.Nell; R.Leo; K.Harms |
| Journal of publication | Chemistry-A European Journal |
| Year of publication | 2000 |
| Journal volume | 6 |
| Pages of publication | 3359 |
| a | 7.685 ± 0.002 Å |
| b | 5.006 ± 0.001 Å |
| c | 18.58 ± 0.005 Å |
| α | 90° |
| β | 97.94 ± 0.02° |
| γ | 90° |
| Cell volume | 707.941 Å3 |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for observed reflections | 7 |
| Weighted residual factors for the observed reflections | 7 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |