Information card for entry 1520677

Structure parameters

• Formula: C15 H36 Br4 N4
• Calculated formula: C15 Br4 N4
• SMILES: [NH2+]1CCC[NH+]2CCC[NH2+]CCC[NH+](CCC1)CCC2.[Br-].[Br-].[Br-].[Br-]
• Title of publication: Synthesis of [3(5)]Adamanzane, 1,5,9,13-Tetraazabicyclo[7.7.3]nonadecane, by Oxidative C‒N Cleavage of [3(6)]Adamanzane, 1,5,9,13- Tetraazatricyclo[7.7.3.3(5,13)]docosane and Crystal Structure of the Tetraprotonated Bromide Salt of [3(5)]Adamanzane.
• Authors of publication: Springborg, Johan; Pretzmann, Ulla; Nielsen, Bente; Olsen, Carl Erik; Sotofte, Inger
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 212 - 217
• a: 11.3 ± 0.003 Å
• b: 12.563 ± 0.003 Å
• c: 15.561 ± 0.006 Å
• α: 90°
• β: 90.29 ± 0.03°
• γ: 90°
• Cell volume: 2209 ± 1.2 ų
• Ambient diffraction temperature: 120 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 significantly intense reflections: 0.0743
• Weighted residual factors for significantly intense reflections: 0.2116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No