Crystallography Open Database
| COD Home |
|---|
| Accessing COD Data |
|---|
| Add Your Data |
|---|
| Documentation |
|---|
CIF Information Card
Information card for 1100223
1100222 << 1100223 >> 1100224Preview
|
Coordinates |
1100223.cif |
Structure parameters
| Chemical name | (1RS,2RS,3RS)-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 | 11.9678 ± 0.0013 Å |
| b | 6.2949 ± 0.0003 Å |
| c | 13.7472 ± 0.0016 Å |
| α | 90° |
| β | 113.363 ± 0.007° |
| γ | 90° |
| Cell volume | 950.748 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 | 6.17 |
| Weighted residual factors for the observed reflections | 6.17 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |