Information card for entry 7053267

Structure parameters

• Common name: 1,4-di(bis(4'-hydroxy 3',5'-dimethylphenyl)methyl)benzene toluene solvate
• Chemical name: 1,4-di[bis(4'-hydroxy 3',5'-dimethylphenyl)methyl]benzene toluene solvate
• Formula: C47 H50 O4
• Calculated formula: C47 H50 O4
• Title of publication: Supramolecular networks of a H-shaped aromatic phenol host
• Authors of publication: Thakuria, Ranjit; Sarma, Bipul; Nangia, Ashwini
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 623
• a: 8.7313 ± 0.0007 Å
• b: 10.2761 ± 0.0009 Å
• c: 11.4745 ± 0.001 Å
• α: 64.982 ± 0.001°
• β: 75.98 ± 0.001°
• γ: 86.58 ± 0.001°
• Cell volume: 904.07 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0945
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.176
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No