Information card for entry 7053261

Structure parameters

• Common name: 1,4-di(bis(3'-hydroxy,2'-,4'-dimethoxyphenyl)methyl)benzene dioxane solvate
• Chemical name: 1,4-di[bis(3'-hydroxy,2'-,4'-dimethoxyphenyl)methyl]benzene dioxane solvate
• Formula: C48 H58 O16
• Calculated formula: C48 H42 O16
• 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: 9.039 ± 0.004 Å
• b: 10.605 ± 0.004 Å
• c: 13.461 ± 0.006 Å
• α: 101.94 ± 0.007°
• β: 98.428 ± 0.008°
• γ: 112.198 ± 0.007°
• Cell volume: 1132.3 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1617
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1797
• Weighted residual factors for all reflections included in the refinement: 0.2208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No