Information card for entry 2233417

Structure parameters

• Chemical name: 2-[(Adamantan-1-ylamino)methyl]phenol
• Formula: C17 H23 N O
• Calculated formula: C17 H23 N O
• SMILES: Oc1ccccc1CNC12CC3CC(CC(C3)C1)C2
• Title of publication: 2-[(Adamantan-1-ylamino)methyl]phenol
• Authors of publication: Wang, Ying-Chun; Tao, Rong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o293
• a: 23.451 ± 0.005 Å
• b: 11.837 ± 0.002 Å
• c: 10.684 ± 0.002 Å
• α: 90°
• β: 101.17 ± 0.03°
• γ: 90°
• Cell volume: 2909.6 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1773
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes