Information card for entry 2234644

Structure parameters

• Chemical name: 2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
• Formula: C27 H27 N3
• Calculated formula: C27 H27 N3
• SMILES: n1c(nc(nc1c1c(cc(cc1)C)C)c1ccc(cc1C)C)c1c(cc(cc1)C)C
• Title of publication: 2,4,6-Tris(2,4-dimethylphenyl)-1,3,5-triazine
• Authors of publication: Huang, Jin-Sheng; Li, Mao-Kui; Yang, Yang-Yi; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1463 - o1464
• a: 7.4663 ± 0.0004 Å
• b: 15.0789 ± 0.0013 Å
• c: 19.7266 ± 0.0012 Å
• α: 109.016 ± 0.007°
• β: 90.949 ± 0.005°
• γ: 93.717 ± 0.006°
• Cell volume: 2093.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.147
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for significantly intense reflections: 0.1844
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes