Information card for entry 2009485

Structure parameters

• Formula: C44 H62 Br2 N4
• Calculated formula: C44 H62 Br2 N4
• Title of publication: HBF~4~ and HBr salts of new chiral cyclens
• Authors of publication: Kobayashi, K.; Tsuboyama, S.; Tsuboyama, K.; Sakurai, T.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 306 - 312
• a: 17.243 ± 0.003 Å
• b: 17.873 ± 0.002 Å
• c: 14.156 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4362.7 ± 1.1 ų
• Cell temperature: 293 K
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.112
• Goodness-of-fit parameter for significantly intense reflections: 5.83
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No