Information card for entry 2227357

Structure parameters

• Chemical name: 1,3,5-Triazaadamantan-7-amine
• Formula: C7 H14 N4
• Calculated formula: C7 H14 N4
• SMILES: N12CN3CN(CC(C1)(C3)N)C2
• Title of publication: 1,3,5-Triazaadamantan-7-amine
• Authors of publication: Thomson, Jaclyn; Chisholm, Danielle M.; Oliver, Allen G.; McIndoe, J. Scott
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: o2637
• a: 15.5402 ± 0.0008 Å
• b: 15.5402 ± 0.0008 Å
• c: 6.5074 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1571.5 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.118
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.518
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes