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CIF Information Card
Information card for 1100242
1100241 << 1100242 >> 1100243Preview
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Coordinates |
1100242.cif |
Structure parameters
| Chemical name | N-Phenyl-2-benzylthiobutanamide |
| Formula | - C17 H19 N S - |
| Calculated formula | - C17.5 H22 N S - |
| Authors of publication | R.W.Hoffmann; B.Holzer; O.Knopff; K.Harms |
| Journal of publication | Angew.Chem.,Int.Ed.Engl. |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 3072 |
| a | 9.56 ± 0.005 Å |
| b | 18.546 ± 0.007 Å |
| c | 9.671 ± 0.003 Å |
| α | 90° |
| β | 119 ± 0.03° |
| γ | 90° |
| Cell volume | 1499.68 Å3 |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for observed reflections | 5.82 |
| Weighted residual factors for the observed reflections | 5.82 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |