Information card for entry 4500661

Structure parameters

• Common name: tris(2,6-dimethyl-4-hydroxyphenyl)benzene
• Chemical name: tris(2,6-dimethyl-4-hydroxyphenyl)benzene
• Formula: C44 H63 N O12
• Calculated formula: C44 H63 N O12
• 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: 13.932 ± 0.003 Å
• b: 11.104 ± 0.002 Å
• c: 28.633 ± 0.006 Å
• α: 90°
• β: 100.752 ± 0.004°
• γ: 90°
• Cell volume: 4351.8 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No