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CIF Information Card
Information card for 1100221
1100220 << 1100221 >> 1100222Preview
|
Coordinates |
1100221.cif |
Structure parameters
| Chemical name | (1RS,2SR,6RS)-9-Aza-2-chloro-7-oxabicyclo(4.3.0)nonan-8-one |
| Formula | - C7 H10 Cl N O2 - |
| Calculated formula | - C7 H10 Cl N O2 - |
| Authors of publication | T.Bach; B.Schlummer; K.Harms |
| Journal of publication | Chemistry-A European Journal |
| Year of publication | 2001 |
| Journal volume | 7 |
| Pages of publication | 2581 |
| a | 5.3339 ± 0.0008 Å |
| b | 12.4601 ± 0.0017 Å |
| c | 11.8203 ± 0.0017 Å |
| α | 90° |
| β | 93.864 ± 0.017° |
| γ | 90° |
| Cell volume | 783.802 Å3 |
| Ambient diffraction temperature | 193 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/c 1 |
| Hall symmetry space group | -P 2ybc |
| Residual factor for observed reflections | 3.45 |
| Weighted residual factors for the observed reflections | 3.45 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |