Information card for entry 2012340

Structure parameters

• Common name: Tetrachloro bisphenol A
• Chemical name: 3,5,3',5'-Tetrachloro-4,4'-dihydroxy-diphenyl-dimethl-methane
• Formula: C15 H12 Cl4 O2
• Calculated formula: C15 H12 Cl4 O2
• SMILES: Clc1c(O)c(Cl)cc(C(C)(C)c2cc(Cl)c(O)c(Cl)c2)c1
• 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: 25.675 ± 0.009 Å
• b: 11.602 ± 0.003 Å
• c: 10.53 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3136.7 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.177
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes