Information card for entry 4500665

Structure parameters

• Common name: 1,3,5-tris(4-hydroxybiphenyl)mesitylene
• Chemical name: 1,3,5-tris(4-hydroxybiphenyl)mesitylene
• Formula: C52 H44 O3
• Calculated formula: C52 H44 O3
• 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: 34.693 ± 0.005 Å
• b: 34.693 ± 0.005 Å
• c: 7.198 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8664 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.1527
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2188
• Weighted residual factors for all reflections included in the refinement: 0.2513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No