Information card for entry 4500659

Structure parameters

• Common name: tris(2,6-dimethyl-4-hydroxyphenyl)benzene
• Chemical name: 1,3,5-tris(2,6-dimethyl-4-hydroxyphenyl)benzene
• Formula: C81 H84 O6
• Calculated formula: C81 H84 O6
• Title of publication: Trigonal Rigid Triphenols: Self-Assembly and Multicomponent Lattice Inclusion
• Authors of publication: Moorthy, Jarugu Narasimha; Natarajan, Palani; Bajpai, Alankriti; Venugopalan, Paloth
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 8
• Pages of publication: 3406
• a: 23.376 ± 0.007 Å
• b: 13.341 ± 0.003 Å
• c: 23.042 ± 0.005 Å
• α: 90°
• β: 105.768 ± 0.009°
• γ: 90°
• Cell volume: 6915 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1624
• Residual factor for significantly intense reflections: 0.0852
• Weighted residual factors for significantly intense reflections: 0.1936
• Weighted residual factors for all reflections included in the refinement: 0.2261
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No