Information card for entry 2213622

Structure parameters

• Chemical name: Amantadinium azide
• Formula: C10 H18 N4
• Calculated formula: C10 H18 N4
• SMILES: [NH3+]C12CC3CC(C1)CC(C2)C3.[N-]=N#N
• Title of publication: Amantadinium azide
• Authors of publication: Qiang Wang; Wan-Long Pan; Wang Tang; Chang-Wen Hu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2688 - o2688
• a: 8.524 ± 0.005 Å
• b: 13.069 ± 0.007 Å
• c: 10.013 ± 0.006 Å
• α: 90°
• β: 104.037 ± 0.007°
• γ: 90°
• Cell volume: 1082.1 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.089
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes