Information card for entry 2205955

Structure parameters

• Chemical name: 2,5,2'',5''-Tetramethyl-p-terphenyl
• Formula: C22 H22
• Calculated formula: C22 H22
• SMILES: c1(c(ccc(c1)C)C)c1ccc(cc1)c1c(ccc(c1)C)C
• Title of publication: 2,5,2'',5''-Tetramethyl-<i>p</i>-terphenyl
• Authors of publication: Jones, Peter G.; Kuś, Piotr; Pasewicz, Anna
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1895 - o1896
• a: 6.1837 ± 0.0011 Å
• b: 15.147 ± 0.002 Å
• c: 17.536 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1642.5 ± 0.4 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 2
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0545
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes