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Information card for entry 1573716
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| Coordinates | 1573716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 6-bromo-3,6-dimethyl-5,6-dihydrobenzo[b]selenophen-7(4H)-one |
|---|---|
| Formula | C10 H11 Br O Se |
| Calculated formula | C10 H11 Br O Se |
| a | 7.767 ± 0.003 Å |
| b | 10.906 ± 0.004 Å |
| c | 12.122 ± 0.004 Å |
| α | 90° |
| β | 90.8 ± 0.02° |
| γ | 90° |
| Cell volume | 1026.7 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0602 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297374 (current) | 2025-01-18 | cif/ Adding structures of 1573716, 1573717, 1573718 via cif-deposit CGI script. |
1573716.cif |
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Users of the data should acknowledge the original authors of the
structural data.