Information card for entry 2012341

Structure parameters

• Common name: Tribromo bisphenol A
• Chemical name: 3,3',5'-Tribromo-4,4'-dihydroxy-diphenyl-dimethyl-methane
• Formula: C15 H13 Br3 O2
• Calculated formula: C15 H13 Br3 O2
• SMILES: Brc1cc(C(C)(C)c2cc(Br)c(O)c(Br)c2)ccc1O
• Title of publication: 2,2',6,6'-Tetrachloro-4,4'-propane-2,2-diyldiphenol, 2,2',6-tribromo-4,4'-propane-2,2-diyldiphenol and 2,2',6,6'-tetrabromo-4,4'-propane-2,2-diyldiphenol
• Authors of publication: Eriksson, Johan; Eriksson, Lars
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: 1308 - 1312
• a: 19.545 ± 0.003 Å
• b: 30.971 ± 0.004 Å
• c: 10.0335 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6073.6 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.161
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes