Information card for entry 1512382

Structure parameters

• Common name: C14satNpcage
• Formula: C52 H90 Si2
• Calculated formula: C52 H90 Si2
• 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: 13.327 ± 0.003 Å
• b: 17.391 ± 0.004 Å
• c: 23.422 ± 0.005 Å
• α: 93.875 ± 0.003°
• β: 102.751 ± 0.002°
• γ: 110.568 ± 0.002°
• Cell volume: 4894.1 ± 1.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.1375
• Residual factor for significantly intense reflections: 0.0781
• Weighted residual factors for significantly intense reflections: 0.1899
• Weighted residual factors for all reflections included in the refinement: 0.2273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No