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CIF Information Card
Information card for 1100252
1100251 << 1100252 >> 1100253Preview
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Coordinates |
1100252.cif |
Structure parameters
| Chemical name | (+-)-(1RS,2SR)-1,2-bis(2'-Methyl-3'-oxo-cyclohex-1'-enyl)-1,2-diphenylethane |
| Formula | - C28 H30 O2 - |
| Calculated formula | - C56 H66 O4 - |
| Authors of publication | H.Ibrahim; T.Bach; K.Harms |
| Journal of publication | Acta Crystallogr.,Sect.E(Struct.Rep.Online) |
| Year of publication | 2001 |
| Journal volume | 57 |
| Pages of publication | o1145 |
| a | 10.8658 ± 0.0007 Å |
| b | 9.4435 ± 0.0005 Å |
| c | 11.7323 ± 0.0008 Å |
| α | 90° |
| β | 112.74 ± 0.006° |
| γ | 90° |
| Cell volume | 1110.29 Å3 |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for observed reflections | 5.8 |
| Weighted residual factors for the observed reflections | 5.8 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |