Information card for entry 7213161

Structure parameters

• Formula: C15 H39 Br N4 O4
• Calculated formula: C15 H39.01 Br N4 O4
• Title of publication: Synthesis and crystal structure of the bromide salt of the inside protonated form of the cage amine [(2.3)3]adamanzane, 1,4,8,12-tetraazatricyclo[6.6.3.24,12]nonadecane and synthesis of the bowl amine [(2.3)2.21]adamanzane, 1,5,9,12-tetraazabicyclo[7.5.2]hexadecane
• Authors of publication: Springborg, Johan; Nielsen, Bente; Olsen, Carl Erik; Søtofte, Inger
• Journal of publication: Journal of the Chemical Society, Perkin Transactions 2
• Year of publication: 1999
• Journal issue: 12
• Pages of publication: 2701
• a: 8.5328 ± 0.0012 Å
• b: 8.5328 ± 0.0012 Å
• c: 33.241 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2096 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 158
• Hermann-Mauguin space group symbol: P 3 c 1
• Hall space group symbol: P 3 -2"c
• Residual factor for all reflections: 0.1178
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections: 0.1622
• Weighted residual factors for significantly intense reflections: 0.1333
• Goodness-of-fit parameter for all reflections: 1.096
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No