Information card for entry 4500664

Structure parameters

• Common name: tris(2,12-dimethyl-8-hydroxybiphenyl)benzene
• Chemical name: 1,3,5-tris(2,12-dimethyl-8-hydroxybiphenyl)benzene
• Formula: C276 H375 N3 O72
• Calculated formula: C276 H327 N3 O71.94
• 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: 21.037 ± 0.003 Å
• b: 21.037 ± 0.003 Å
• c: 53.66 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 20566 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1981
• Residual factor for significantly intense reflections: 0.118
• Weighted residual factors for significantly intense reflections: 0.3001
• Weighted residual factors for all reflections included in the refinement: 0.3498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No