Information card for entry 2200474

Structure parameters

• Chemical name: 5-bromo-2-hydroxybenzene-1,3-dicarbaldehyde
• Formula: C8 H5 Br O3
• Calculated formula: C8 H5 Br O3
• SMILES: Brc1cc(c(O)c(c1)C=O)C=O
• Title of publication: 5-Bromo-2-hydroxybenzene-1,3-dicarbaldehyde
• Authors of publication: Duclos, Séverine; Therrien, Bruno; Ward, Thomas R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 9
• Pages of publication: o884 - o885
• a: 7.5206 ± 0.0015 Å
• b: 3.9367 ± 0.0008 Å
• c: 25.881 ± 0.005 Å
• α: 90°
• β: 96.84 ± 0.03°
• γ: 90°
• Cell volume: 760.8 ± 0.3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 4
• 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: 0.0532
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes