Information card for entry 2231222

Structure parameters

• Chemical name: <i>N</i>-(2-Hydroxybenzyl)adamantan-1-aminium bromide
• Formula: C17 H24 Br N O
• Calculated formula: C17 H24 Br N O
• SMILES: [Br-].Oc1c(cccc1)C[NH2+]C12CC3CC(CC(C3)C1)C2
• Title of publication: <i>N</i>-(2-Hydroxybenzyl)adamantan-1-aminium bromide
• Authors of publication: Rong, Tao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1979
• a: 10.616 ± 0.002 Å
• b: 12.627 ± 0.003 Å
• c: 12.896 ± 0.003 Å
• α: 108.46 ± 0.03°
• β: 104.69 ± 0.03°
• γ: 93.88 ± 0.03°
• Cell volume: 1565.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.07
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes