Information card for entry 8102382

Structure parameters

• Formula: C11 H19 N O3
• Calculated formula: C11 H19 N O3
• SMILES: [NH3+]C12CC3CC(C1)CC(C2)C3.[O-]C(=O)O
• Title of publication: Crystal structure of adamantylammonium bicarbonate, [C10H18N]HCO3
• Authors of publication: Jian-Feng Liu; Hui-Duo Xian; Hua-Qiong Li; Guo-Liang Zhao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 69
• a: 6.3919 ± 0.0001 Å
• b: 7.3659 ± 0.0002 Å
• c: 22.8347 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1075.11 ± 0.04 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1194
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No