Information card for entry 4031533

Structure parameters

• Common name: C15Npcage
• Formula: C55 H96 Si2
• Calculated formula: C55 H96 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: 22.779 ± 0.006 Å
• b: 12.654 ± 0.003 Å
• c: 18.025 ± 0.005 Å
• α: 90°
• β: 90.008 ± 0.004°
• γ: 90°
• Cell volume: 5196 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1453
• Residual factor for significantly intense reflections: 0.1058
• Weighted residual factors for significantly intense reflections: 0.259
• Weighted residual factors for all reflections included in the refinement: 0.2935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No