Information card for entry 4500663

Structure parameters

• Common name: 1,3,5-tris(4-hydroxyphenyl)mesitylene
• Chemical name: 1,3,5-tris(4-hydroxyphenyl)mesitylene
• Formula: C39 H52 O11
• Calculated formula: C39 H48 O11
• 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: 10.446 ± 0.005 Å
• b: 13.758 ± 0.007 Å
• c: 16.201 ± 0.008 Å
• α: 108.821 ± 0.007°
• β: 93.859 ± 0.01°
• γ: 108.646 ± 0.009°
• Cell volume: 2050.1 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2135
• Residual factor for significantly intense reflections: 0.1315
• Weighted residual factors for significantly intense reflections: 0.3219
• Weighted residual factors for all reflections included in the refinement: 0.3736
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No