Information card for entry 7238126

Structure parameters

• Common name: (Bis(4-hydroxy-3,5-dimethylphenyl)(4-hydroxyphenyl))methane
• Formula: C30 H32 O3
• Calculated formula: C30 H31 O3
• 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: 9.692 ± 0.002 Å
• b: 11.739 ± 0.003 Å
• c: 12.104 ± 0.007 Å
• α: 112.155 ± 0.003°
• β: 101.102 ± 0.004°
• γ: 91.062 ± 0.004°
• Cell volume: 1245.3 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1893
• Weighted residual factors for all reflections included in the refinement: 0.2065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No