Information card for entry 2239544

Structure parameters

• Chemical name: 4-Azaniumyl-2,2,6,6-tetramethylpiperidin-1-ium dinitrate
• Formula: C9 H22 N4 O6
• Calculated formula: C9 H22 N4 O6
• SMILES: [NH2+]1C(CC([NH3+])CC1(C)C)(C)C.N(=O)(=O)[O-].N(=O)(=O)[O-]
• Title of publication: 4-Azaniumyl-2,2,6,6-tetramethylpiperidin-1-ium dinitrate
• Authors of publication: Chebbi, Hammouda; Ben Smail, Ridha; Zid, Mohamed Faouzi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 6
• Pages of publication: o642
• a: 10.367 ± 0.002 Å
• b: 11.054 ± 0.001 Å
• c: 13.167 ± 0.002 Å
• α: 90°
• β: 112.45 ± 0.02°
• γ: 90°
• Cell volume: 1394.5 ± 0.4 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: 0.0694
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes