Information card for entry 4504676

Structure parameters

• Chemical name: 3,3,5,5-Tetrakis(4-pyridyl)bimesityl
• Formula: C38 H34 N4
• Calculated formula: C38 H34 N4
• SMILES: c1(c(c(c2ccncc2)c(c(c1C)c1ccncc1)C)C)c1c(c(c(c(c1C)c1ccncc1)C)c1ccncc1)C
• Title of publication: Influence of Weaker Interactions on the Self-Assembly of Rigid Molecular Scaffolds Based on Tetraarylbimesityls
• Authors of publication: Moorthy, Jarugu Narasimha; Natarajan, Ramalingam; Savitha, Govardhan; Venugopalan, Paloth
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 919
• a: 21.967 ± 0.005 Å
• b: 6.41 ± 0.005 Å
• c: 21.964 ± 0.005 Å
• α: 90 ± 0.005°
• β: 110.648 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 2894 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0843
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1963
• Weighted residual factors for all reflections included in the refinement: 0.2022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No