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Information card for entry 2011377
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| Coordinates | 2011377.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | rac-Dibromosuccinic acid |
|---|---|
| Formula | C4 H4 Br2 O4 |
| Calculated formula | C4 H4 Br2 O4 |
| SMILES | C(=O)(O)[C@H](Br)[C@@H](Br)C(=O)O.C(=O)(O)[C@@H](Br)[C@H](Br)C(=O)O |
| Title of publication | <i>rac</i>-2,3-Dibromosuccinic acid |
| Authors of publication | Bolte, Michael; Degen, Alexander |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2000 |
| Journal volume | 56 |
| Journal issue | 9 |
| Pages of publication | e410 - e410 |
| a | 12.725 ± 0.004 Å |
| b | 6.167 ± 0.001 Å |
| c | 10.228 ± 0.002 Å |
| α | 90° |
| β | 111.98 ± 0.01° |
| γ | 90° |
| Cell volume | 744.3 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 | 0.035 |
| Residual factor for significantly intense reflections | 0.031 |
| Weighted residual factors for all reflections included in the refinement | 0.081 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.119 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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