Information card for entry 1512383

Structure parameters

• Common name: C16satNpcage
• Formula: C122 H216 O1.5 Si4
• Calculated formula: C122 H216 O1.5 Si4
• Title of publication: Cage Size Effects on the Rotation of Molecular Gyrotops with 1,4-Naphthalenediyl Rotor in Solution.
• Authors of publication: Setaka, Wataru; Koyama, Akiko; Yamaguchi, Kentaro
• Journal of publication: Organic letters
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 5092 - 5095
• a: 14.1947 ± 0.0012 Å
• b: 15.1832 ± 0.0013 Å
• c: 28.719 ± 0.002 Å
• α: 85.137 ± 0.001°
• β: 80.282 ± 0.001°
• γ: 75.08 ± 0.001°
• Cell volume: 5889.5 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1435
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No