Information card for entry 8102147

Structure parameters

• Common name: 5,5'-dibromosalicil
• Chemical name: bis(5-bromo-2-hydroxyphenyl)ethanedione
• Formula: C14 H8 Br2 O4
• Calculated formula: C14 H8 Br2 O4
• SMILES: Brc1ccc(O)c(c1)C(=O)C(=O)c1cc(Br)ccc1O
• Title of publication: Crystal structure of bis(5-bromo-2-hydroxyphenyl)ethanedione, C~14~H~8~Br~2~O~4~
• Authors of publication: Staples, Richard J.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 267 - 268
• a: 26.941 ± 0.012 Å
• b: 4.32 ± 0.002 Å
• c: 23.173 ± 0.011 Å
• α: 90°
• β: 102.882 ± 0.007°
• γ: 90°
• Cell volume: 2629 ± 2 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0429
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0788
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No