Information card for entry 2230764

Structure parameters

• Chemical name: <i>N</i>-(2-Hydroxybenzyl)adamantan-1-aminium chloride
• Formula: C17 H24 Cl N O
• Calculated formula: C17 H24 Cl N O
• SMILES: [Cl-].Oc1c(C[NH2+]C23CC4CC(C2)CC(C4)C3)cccc1
• Title of publication: <i>N</i>-(2-Hydroxybenzyl)adamantan-1-aminium chloride
• Authors of publication: Rong, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1602
• a: 12.262 ± 0.003 Å
• b: 10.202 ± 0.002 Å
• c: 12.845 ± 0.003 Å
• α: 90°
• β: 98.43 ± 0.03°
• γ: 90°
• Cell volume: 1589.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1142
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1884
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes