Information card for entry 2237347

Structure parameters

• Chemical name: 2-Benzhydryl-6-<i>tert</i>-butyl-4-methylphenol
• Formula: C24 H26 O
• Calculated formula: C24 H26 O
• SMILES: Oc1c(cc(cc1C(C)(C)C)C)C(c1ccccc1)c1ccccc1
• Title of publication: 2-Benzhydryl-6-<i>tert</i>-butyl-4-methylphenol
• Authors of publication: Yoon, Sungwoo; Lee, Junseong; Kim, Youngjo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o287
• a: 8.014 ± 0.004 Å
• b: 15.472 ± 0.007 Å
• c: 16.006 ± 0.007 Å
• α: 90°
• β: 99.98 ± 0.02°
• γ: 90°
• Cell volume: 1954.6 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1858
• Residual factor for significantly intense reflections: 0.0705
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1717
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes