Information card for entry 2223880

Structure parameters

• Chemical name: adamantane-1-ammonium benzoate
• Formula: C17 H23 N O2
• Calculated formula: C17 H23 N O2
• SMILES: C(=O)(c1ccccc1)[O-].C1C2(CC3CC1CC(C2)C3)[NH3+]
• Title of publication: Adamantane-1-ammonium benzoate
• Authors of publication: Zheng, Wen-Ni; Wang, Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2769
• a: 10.918 ± 0.002 Å
• b: 6.5664 ± 0.0013 Å
• c: 21.197 ± 0.004 Å
• α: 90°
• β: 100.07 ± 0.03°
• γ: 90°
• Cell volume: 1496.2 ± 0.5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1473
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes