Information card for entry 2206619

Structure parameters

• Common name: 3,3',5,5'-Tetrabromo-4,4'-dihydroxybiphenyl
• Chemical name: 3,3',5,5'-Tetrabromo-4,4'-dihydroxybiphenyl
• Formula: C12 H6 Br4 O2
• Calculated formula: C12 H6 Br4 O2
• SMILES: Brc1cc(cc(c1O)Br)c1cc(Br)c(c(c1)Br)O
• Title of publication: 3,3',5,5'-Tetrabromo-4,4'-dihydroxybiphenyl
• Authors of publication: Lehmler, H.-J.; Parkin, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2828 - o2830
• a: 23.4583 ± 0.0009 Å
• b: 3.8928 ± 0.0002 Å
• c: 7.5495 ± 0.0003 Å
• α: 90°
• β: 108.376 ± 0.002°
• γ: 90°
• Cell volume: 654.25 ± 0.05 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.024
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes