Information card for entry 4071597

Structure parameters

• Formula: C25 H20 B F5 O Si
• Calculated formula: C25 H20 B F5 O Si
• SMILES: [Si](F)(c1c2c(c3c4c([o+]c5c3cccc5)cccc4)cccc2ccc1)(C)C.[B](F)(F)(F)[F-]
• Title of publication: R3C−H→SiFR3Agostic Interaction
• Authors of publication: Dorsey, Christopher L.; Gabbaï, François P.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 13
• Pages of publication: 3065
• a: 9.812 ± 0.002 Å
• b: 10.112 ± 0.002 Å
• c: 13.009 ± 0.003 Å
• α: 110.373 ± 0.004°
• β: 105.23 ± 0.004°
• γ: 101.512 ± 0.004°
• Cell volume: 1105.4 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No