Information card for entry 2009482

Structure parameters

• Formula: C44 H61 B F4 N4
• Calculated formula: C44 H61 B F4 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: 23.386 ± 0.005 Å
• b: 9.69 ± 0.002 Å
• c: 20.367 ± 0.005 Å
• α: 90°
• β: 114.94 ± 0.02°
• γ: 90°
• Cell volume: 4185 ± 1.8 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.055
• Goodness-of-fit parameter for significantly intense reflections: 1.5
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No