Information card for entry 2212876

Structure parameters

• Chemical name: 1,1,1,3,3,3-Hexafluoro-2,2-bis(4-hydroxyphenyl)propane‒benzene (2/3)
• Formula: C48 H38 F12 O4
• Calculated formula: C48 H38 F12 O4
• Title of publication: 1,1,1,3,3,3-Hexafluoro-2,2-bis(4-hydroxyphenyl)propane‒benzene (2/3)
• Authors of publication: Csöregh, Ingeborg; Toda, Fumio
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: o1769 - o1771
• a: 20.173 ± 0.003 Å
• b: 9.058 ± 0.001 Å
• c: 24.218 ± 0.004 Å
• α: 90°
• β: 99.57 ± 0.02°
• γ: 90°
• Cell volume: 4363.7 ± 1.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0643
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes