Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1574954
Preview
| Coordinates | 1574954.cif |
|---|---|
| Original IUCr paper | HTML |
| Common name | <i>rac</i>-4,5-<i>trans</i>-Dibromo-9,9-dichloro-<i>cis</i>-bicyclo[6.1.0]nonane |
|---|---|
| Chemical name | <i>rac</i>-4,5-<i>trans</i>-Dibromo-9,9-dichloro-<i>cis</i>-bicyclo[6.1.0]nonane |
| Formula | C9 H12 Br2 Cl2 |
| Calculated formula | C9 H12 Br2 Cl2 |
| Title of publication | rac-4,5-trans-Dibromo-9,9-dichloro-cis-bicyclo[6.1.0]nonane |
| Authors of publication | Detert, Heiner; Schollmeyer, Dieter |
| Journal of publication | IUCrData |
| Year of publication | 2025 |
| Journal volume | 10 |
| Journal issue | 6 |
| a | 7.2027 ± 0.0003 Å |
| b | 22.1157 ± 0.001 Å |
| c | 7.5534 ± 0.0003 Å |
| α | 90° |
| β | 105.517 ± 0.003° |
| γ | 90° |
| Cell volume | 1159.35 ± 0.09 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0472 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0959 |
| Weighted residual factors for all reflections included in the refinement | 0.1001 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.185 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300257 (current) | 2025-06-28 | cif/ Adding structures of 1574954 via cif-deposit CGI script. |
1574954.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.