Information card for entry 2202280

Structure parameters

• Common name: 2,4,6-Trimethyl-1,3,5-tris(phenoxymethyl)benzene
• Chemical name: 2,4,6-Trimethyl-1,3,5-tris(phenoxymethyl)benzene
• Formula: C30 H30 O3
• Calculated formula: C30 H30 O3
• SMILES: c1(c(c(c(c(c1C)COc1ccccc1)C)COc1ccccc1)C)COc1ccccc1
• Title of publication: 2,4,6-Trimethyl-1,3,5-tris(phenoxymethyl)benzene
• Authors of publication: David J. Bray; Leonard F. Lindoy; John C. McMurtrie
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o1544 - o1545
• a: 16.103 ± 0.003 Å
• b: 10.8827 ± 0.0019 Å
• c: 27.396 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4801 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0398
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes