Information card for entry 2208112

Structure parameters

• Chemical name: 1,3,5-Tris(4-methylphenyl)benzene
• Formula: C27 H24
• Calculated formula: C27 H24
• SMILES: c1(cc(cc(c1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: 1,3,5-Tris(4-methylphenyl)benzene
• Authors of publication: Li, Zhong-Shui; Chen, Jian-Xin; Huang, Yuan-Biao; Chen, Gu-Rong; Lan, Ting-Yan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 2
• Pages of publication: o777 - o779
• a: 13.164 ± 0.0006 Å
• b: 15.2531 ± 0.0009 Å
• c: 20.5554 ± 0.0011 Å
• α: 90°
• β: 97.3083 ± 0.0017°
• γ: 90°
• Cell volume: 4093.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 2
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1593
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes