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CIF Information Card
Information card for 1100222
1100221 << 1100222 >> 1100223Preview
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Coordinates |
1100222.cif |
Structure parameters
| Chemical name | (1RS,2RS,8SR)-2-Chloro-9-oxa-11-azabicyclo(6.3.0)undec-5-en-10-one |
| Formula | - C9 H12 Cl N O2 - |
| Calculated formula | - C9 H12 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 | 9.9246 ± 0.0005 Å |
| b | 6.8908 ± 0.0003 Å |
| c | 14.1918 ± 0.001 Å |
| α | 90° |
| β | 95.692 ± 0.004° |
| γ | 90° |
| Cell volume | 965.77 Å3 |
| Ambient diffraction temperature | 213 K |
| Number of distinct elements | 5 |
| Hermann-Mauguin symmetry space group | P 1 21/n 1 |
| Hall symmetry space group | -P 2yn |
| Residual factor for observed reflections | 5.99 |
| Weighted residual factors for the observed reflections | 5.99 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |