Information card for entry 4512873

Structure parameters

• Common name: TB
• Chemical name: 3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-dichlorobenzene
• Formula: C51 H52 Cl O4
• Calculated formula: C51 H52 Cl O4
• Title of publication: Tetraarylbiphenyl as a New Lattice Inclusion Host by Structure Reductionism: Shape and Size Complementarity Based on Torsional Flexibility
• Authors of publication: Neogi, Ishita; Bajpai, Alankriti; Savitha, Govardhan; Moorthy, Jarugu Narasimha
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 2129
• a: 11.7393 ± 0.0006 Å
• b: 13.7204 ± 0.0007 Å
• c: 14.1348 ± 0.0007 Å
• α: 96.802 ± 0.001°
• β: 98.737 ± 0.001°
• γ: 108.618 ± 0.001°
• Cell volume: 2098.35 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0991
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1201
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No