Information card for entry 4110733

Structure parameters

• Formula: C17 H28.98 B11 Br6.02 Cl2 O2
• Calculated formula: C17 H28.981 B11 Br6.0194 Cl2 O2
• Title of publication: Synthesis of the Phenoxonium Cation of an α-Tocopherol Model Compound Crystallized with Non-Nucleophilic [B(C6F5)4]-and (CB11H6Br6)- Anions
• Authors of publication: Stephen B. Lee; Anthony C. Willis; Richard D. Webster
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• Journal volume: 128
• Pages of publication: 9332 - 9333
• a: 11.5677 ± 0.0002 Å
• b: 20.2995 ± 0.0003 Å
• c: 27.9851 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6571.4 ± 0.2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.0655
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 0.7283
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No