Information card for entry 2232882

Structure parameters

• Chemical name: (1-Adamantyl)(3-aminophenyl)methanone
• Formula: C17 H21 N O
• Calculated formula: C17 H21 N O
• SMILES: O=C(C12CC3CC(CC(C1)C3)C2)c1cc(N)ccc1
• Title of publication: (1-Adamantyl)(3-aminophenyl)methanone
• Authors of publication: Rouchal, Michal; Nečas, Marek; Vícha, Robert
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3198
• a: 6.4644 ± 0.0001 Å
• b: 8.1978 ± 0.0003 Å
• c: 25.176 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1334.17 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.0721
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes