Information card for entry 7158932

Structure parameters

• Common name: C14NNp
• Chemical name: C14Np
• Formula: C38 H62 N2
• Calculated formula: C38 H62 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: 11.7462 ± 0.0014 Å
• b: 9.5109 ± 0.0012 Å
• c: 30.593 ± 0.004 Å
• α: 90°
• β: 90.057 ± 0.006°
• γ: 90°
• Cell volume: 3417.8 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0994
• Weighted residual factors for significantly intense reflections: 0.272
• Weighted residual factors for all reflections included in the refinement: 0.275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No