Information card for entry 2221756

Structure parameters

• Common name: 1-adamantyl-(4-aminophenyl)methanol
• Chemical name: (1-Adamantyl)(4-aminophenyl)methanol
• Formula: C17 H23 N O
• Calculated formula: C17 H23 N O
• SMILES: OC(c1ccc(N)cc1)C12CC3CC(C1)CC(C2)C3
• Title of publication: (1-Adamantyl)(4-aminophenyl)methanol
• Authors of publication: Rouchal, Michal; Nečas, Marek; Vícha, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 5
• Pages of publication: o1018
• a: 8.8107 ± 0.0005 Å
• b: 12.1593 ± 0.0006 Å
• c: 26.6047 ± 0.0016 Å
• α: 90°
• β: 93.046 ± 0.005°
• γ: 90°
• Cell volume: 2846.2 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.1285
• Residual factor for significantly intense reflections: 0.0942
• Weighted residual factors for significantly intense reflections: 0.2582
• Weighted residual factors for all reflections included in the refinement: 0.2704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes