Information card for entry 2226581

Structure parameters

• Chemical name: (1-Adamantyl)diphenylmethanol
• Formula: C23 H26 O
• Calculated formula: C23 H26 O
• SMILES: OC(C12CC3CC(CC(C1)C3)C2)(c1ccccc1)c1ccccc1
• Title of publication: (1-Adamantyl)diphenylmethanol
• Authors of publication: Vícha, Robert; Nečas, Marek
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1626
• a: 6.537 ± 0.0012 Å
• b: 17.037 ± 0.003 Å
• c: 15.322 ± 0.002 Å
• α: 90°
• β: 91.993 ± 0.014°
• γ: 90°
• Cell volume: 1705.4 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0571
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes