Information card for entry 2204717

Structure parameters

• Chemical name: 1,2,4,5-Tetrakis(2-tert-butyl-4-methylphenoxymethyl)benzene
• Formula: C54 H70 O4
• Calculated formula: C54 H70 O4
• SMILES: Cc1ccc(c(c1)C(C)(C)C)OCc1cc(COc2ccc(cc2C(C)(C)C)C)c(cc1COc1ccc(cc1C(C)(C)C)C)COc1ccc(cc1C(C)(C)C)C
• Title of publication: 1,2,4,5-Tetrakis(2-<i>tert</i>-butyl-4-methylphenoxymethyl)benzene
• Authors of publication: Burcu Arslan; Canan Kazak; Nesuhi Akdemir; Cihan Kantar; Erbil Aǧar
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2378 - o2379
• a: 10.1833 ± 0.0009 Å
• b: 21.535 ± 0.0016 Å
• c: 11.5029 ± 0.0011 Å
• α: 90°
• β: 107.725 ± 0.007°
• γ: 90°
• Cell volume: 2402.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1357
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes