Information card for entry 2011377

Structure parameters

• 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 ų
• 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: Yes