Information card for entry 7053253

Structure parameters

• Common name: 1,4-di(bis(4'-hydroxyphenyl)methyl)benzene
• Chemical name: 1,4-di[bis(4'-hydroxyphenyl)methyl]benzene
• Formula: C32 H26 O4
• Calculated formula: C32 H26 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: 10.1926 ± 0.001 Å
• b: 11.0478 ± 0.001 Å
• c: 13.096 ± 0.0014 Å
• α: 101.849 ± 0.002°
• β: 102.082 ± 0.002°
• γ: 115.675 ± 0.002°
• Cell volume: 1224.1 ± 0.2 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: 0.1563
• Residual factor for significantly intense reflections: 0.0786
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No