Information card for entry 7158931

Structure parameters

• Common name: C12NNp
• Chemical name: C12Np
• Formula: C34 H54 N2
• Calculated formula: C34 H54 N2
• Title of publication: Synthesis and Rotational Dynamics of Diazamacrocycles Having Bridged 1,4-Naphthylene as Framed Molecular Rotors
• Authors of publication: Kurimoto, Taichi; Inagaki, Yusuke; Ohara, Kazuaki; Yamaguchi, Kentaro; Setaka, Wataru
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 10.7668 ± 0.0003 Å
• b: 18.0397 ± 0.0005 Å
• c: 15.5823 ± 0.0005 Å
• α: 90°
• β: 93.899 ± 0.001°
• γ: 90°
• Cell volume: 3019.54 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0413
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No