Information card for entry 2239460

Structure parameters

• Chemical name: 1,3,6,8-Tetraazatricyclo[4.4.1.1^3,8^]dodecane
• Formula: C8 H16 N4
• Calculated formula: C8 H16 N4
• SMILES: C1CN2CN3CN1CN(C2)CC3
• Title of publication: Redetermination of 1,3,6,8-tetraazatricyclo[4.4.1.1^3,8^]dodecane
• Authors of publication: Rivera, Augusto; Ríos-Motta, Jaime; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: o266
• a: 7.4065 ± 0.0007 Å
• b: 7.4065 ± 0.0007 Å
• c: 7.6235 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 418.2 ± 0.07 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.05
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1411
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes