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CIF Information Card
Information card for 1100229
1100228 << 1100229 >> 1100230Preview
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Coordinates |
1100229.cif |
Structure parameters
| Chemical name | (1RS,6SR)-8,8-diphenyl-7-oxa-2-azabicyclo[4.2.0]octan-3-one chloroform solvate |
| Formula | - C19 H18 Cl3 N O2 - |
| Calculated formula | - C19 H18 Cl3 N O2 - |
| Authors of publication | T.Bach; H.Bergmann; H.Brummerhop; W.Lewis; K.Harms |
| Journal of publication | Chemistry-A European Journal |
| Year of publication | 2001 |
| Journal volume | 7 |
| Pages of publication | 4512 |
| a | 7.699 ± 0.0011 Å |
| b | 13.7214 ± 0.0019 Å |
| c | 18.8308 ± 0.0014 Å |
| α | 89.963 ± 0.016° |
| β | 80.265 ± 0.016° |
| γ | 76.44 ± 0.017° |
| Cell volume | 1904.43 Å3 |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P -1 |
| Residual factor for observed reflections | 5.79 |
| Weighted residual factors for the observed reflections | 5.79 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |