Information card for entry 4108873

Structure parameters

• Formula: C34 H25 B F20 O Si
• Calculated formula: C34 H25 B F20 O Si
• Title of publication: Scope and Mechanism of the Iridium-Catalyzed Cleavage of Alkyl Ethers with Triethylsilane
• Authors of publication: Jian Yang; Peter S. White; Maurice Brookhart
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 17509 - 17518
• a: 19.5991 ± 0.0009 Å
• b: 17.4575 ± 0.0009 Å
• c: 21.7621 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7445.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0687
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No