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Information card for entry 8107715
Preview
| Coordinates | 8107715.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | p-bromophenacyl bromide |
|---|---|
| Formula | C8 H6 Br2 O |
| Calculated formula | C8 H6 Br2 O |
| SMILES | Brc1ccc(C(=O)CBr)cc1 |
| Title of publication | Redetermination of the crystal structure of p-bromophenacyl bromide at 200 K – Localization of hydrogen atoms, C8H6Br2O |
| Authors of publication | Hosten, Eric C.; Betz, Richard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2015 |
| Journal volume | 230 |
| Journal issue | 2 |
| Pages of publication | 59 - 60 |
| a | 4.0853 ± 0.0002 Å |
| b | 9.6025 ± 0.0004 Å |
| c | 21.989 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 862.61 ± 0.07 Å3 |
| Ambient diffraction temperature | 200 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.0208 |
| Weighted residual factors for significantly intense reflections | 0.0492 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288116 (current) | 2023-12-07 | cif/ Adding structures of 8107715 via cif-deposit CGI script. |
8107715.cif |
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