Information card for entry 4512878

Structure parameters

• Common name: TB-transcinnamaldehyde
• Chemical name: 3,3,5,5-Tetrakis(2,6-dimethyl-4-methoxyphenyl)biphenyl-transcinnamaldehyde
• Formula: C105 H106 O9
• Calculated formula: C105 H106 O9
• 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: 28.915 ± 0.012 Å
• b: 11.849 ± 0.004 Å
• c: 24.852 ± 0.01 Å
• α: 90°
• β: 91.715 ± 0.014°
• γ: 90°
• Cell volume: 8511 ± 6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1905
• Residual factor for significantly intense reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.2649
• Weighted residual factors for all reflections included in the refinement: 0.3384
• 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