Information card for entry 1507207

Structure parameters

• Common name: (3s,5s,7s)-adamantan-1-ammonium 2-hydroxybenzoate
• Chemical name: (3s,5s,7s)-adamantan-1-ammonium 2-hydroxybenzoate
• Formula: C17 H23 N O3
• Calculated formula: C17 H23 N O3
• SMILES: c1(ccccc1O)C(=O)[O-].[NH3+]C12CC3CC(C1)CC(C2)C3
• Title of publication: Protic pharmaceutical ionic liquids and solids: Aspects of protonics
• Authors of publication: Stoimenovski, Jelena; Dean, Pamela M.; Izgorodina, Ekaterina I.; MacFarlane, Douglas R.
• Journal of publication: Faraday Discussions
• Year of publication: 2012
• Journal volume: 154
• Pages of publication: 335
• a: 6.708 ± 0.0005 Å
• b: 9.3067 ± 0.0007 Å
• c: 12.7864 ± 0.0009 Å
• α: 80.421 ± 0.005°
• β: 76.338 ± 0.004°
• γ: 82.988 ± 0.004°
• Cell volume: 761.99 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.096
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No