Information card for entry 2234194

Structure parameters

• Chemical name: Bis(adamantan-1-aminium) carbonate
• Formula: C21 H36 N2 O3
• Calculated formula: C21 H36 N2 O3
• SMILES: C12(CC3CC(C2)CC(C1)C3)[NH3+].C(=O)([O-])[O-].C12(CC3CC(C1)CC(C2)C3)[NH3+]
• Title of publication: Bis(adamantan-1-aminium) carbonate
• Authors of publication: Nowakowska, Monika; Gamble, Caryn; Levendis, Demetrius C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1159
• a: 6.434 ± 0.0006 Å
• b: 6.434 ± 0.0006 Å
• c: 25.474 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 913.25 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes