Information card for entry 7238124

Structure parameters

• Common name: Bis(4-hydroxyphenyl)phenylmethane
• Chemical name: Bis(4-hydroxyphenyl)phenylmethane
• Formula: C114 H98 O13
• Calculated formula: C19 H16 O2.16667
• Title of publication: Selectivity in guest‒host binding in assemblies of bisphenols
• Authors of publication: Sarma, Rupam J.; Baruah, Jubaraj B.
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 116
• Pages of publication: 706
• a: 35.873 ± 0.002 Å
• b: 35.873 ± 0.002 Å
• c: 6.108 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6807 ± 11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0751
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1643
• Weighted residual factors for all reflections included in the refinement: 0.1841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No