Information card for entry 1559406

Structure parameters

• Common name: 5,5,11,11,17,17,23,23-Octamethyl-1,3,7,9,13,15,19,21-octaazaquinquecyclo [19.3.1.1(3,7).1(9,13).1(15,19)]octacosane
• Formula: C28 H56 N8
• Calculated formula: C28 N8
• SMILES: C1N2CN(CC(C2)(C)C)CN2CN(CN3CN(CC(C3)(C)C)CN3CN1CC(C3)(C)C)CC(C2)(C)C
• Title of publication: The Preparation and Conformational Studies of 5,5,11,11,17,17,23,23-Octamethyl-1,3,7,9,13,15,19,21-octaazaquinquecyclo [19.3.1.1(3,7).1(9,13).1(15,19)]octacosane
• Authors of publication: Dale, Johannes; Rise, Frode; Romming, Christian; Sigvartsen, Turid
• Journal of publication: Acta Chemica Scandinavica
• Year of publication: 1992
• Journal volume: 46
• Pages of publication: 1200 - 1203
• a: 21.728 ± 0.003 Å
• b: 14.32 ± 0.003 Å
• c: 10.454 ± 0.004 Å
• α: 90°
• β: 106.23 ± 0.02°
• γ: 90°
• Cell volume: 3123.1 ± 1.5 ų
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for all reflections included in the refinement: 2.47
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No