Information card for entry 4500662

Structure parameters

• Common name: 1,3,5-tris(4-hydroxyphenyl)mesitylene
• Chemical name: 1,3,5-tris(4-hydroxyphenyl)mesitylene
• Formula: C27 H24 O3
• Calculated formula: C28 H24 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: 23.0586 ± 0.0018 Å
• b: 23.0586 ± 0.0018 Å
• c: 7.4775 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3975.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 108
• Hermann-Mauguin space group symbol: I 4 c m
• Hall space group symbol: I 4 -2c
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No