Information card for entry 1520680

Structure parameters

• Formula: C18 H37 Br N4
• Title of publication: Crystal Structures of Salts of Mono- and Triprotonated [36]Adamanzane, 1,5,9,13-Tetraazatricyclo[7.7.3.3(5,13)]docosane, and Equilibrium Studies of the Reactions between Mono-, Di- and Triprotonated Species, Respectively, Having None, One and Two Lone Pairs Pointing Outwards
• Authors of publication: Springborg, Johan; Pretzmann, Ulla; Olsen, Carl Erik; Sotofte, Inger
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1998
• Journal volume: 52
• Pages of publication: 289 - 295
• a: 15.232 ± 0.008 Å
• b: 8.786 ± 0.005 Å
• c: 15.22 ± 0.01 Å
• α: 90°
• β: 109.59 ± 0.04°
• γ: 90°
• Cell volume: 1919 ± 2 ų
• Ambient diffraction temperature: 145 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for significantly intense reflections: 0.0988
• Weighted residual factors for significantly intense reflections: 0.3201
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: No
• Has disorder: No
• Has Fobs: No