Information card for entry 7238122

Structure parameters

• Common name: Bis(4-hydroxy-3,5-dimethylphenyl)(4-formylphenyl)methane: benzene inclusion
• Formula: C30 H30 O3
• Calculated formula: C30 H30 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: 12.007 ± 0.006 Å
• b: 9.772 ± 0.005 Å
• c: 21.546 ± 0.011 Å
• α: 90°
• β: 98.194 ± 0.003°
• γ: 90°
• Cell volume: 2502 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2459
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No