Information card for entry 4031534

Structure parameters

• Common name: C17Npcage
• Formula: C61 H108 Si2
• Calculated formula: C61 H108 Si2
• Title of publication: 1,4-Naphthalenediyl-Bridged Molecular Gyrotops: Rotation of the Rotor and Fluorescence in Solution.
• Authors of publication: Nishiyama, Yohei; Inagaki, Yusuke; Yamaguchi, Kentaro; Setaka, Wataru
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 20
• Pages of publication: 9959 - 9966
• a: 13.028 ± 0.009 Å
• b: 18.089 ± 0.013 Å
• c: 25.708 ± 0.018 Å
• α: 74.702 ± 0.012°
• β: 83.371 ± 0.015°
• γ: 89.177 ± 0.015°
• Cell volume: 5804 ± 7 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.5361
• Residual factor for significantly intense reflections: 0.1874
• Weighted residual factors for significantly intense reflections: 0.41
• Weighted residual factors for all reflections included in the refinement: 0.574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No