Information card for entry 4110735

Structure parameters

• Formula: C14 H20 O2
• Calculated formula: C14 H20 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: 9.0787 ± 0.0002 Å
• b: 10.7742 ± 0.0003 Å
• c: 13.2895 ± 0.0003 Å
• α: 91.1222 ± 0.0016°
• β: 103.464 ± 0.0014°
• γ: 97.1591 ± 0.0016°
• Cell volume: 1252.75 ± 0.05 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 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: 0.0553
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0982
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No