Information card for entry 4129808

Structure parameters

• Formula: C19 H24 F5 N Si
• Calculated formula: C19 H24 F5 N Si
• SMILES: [Si](n1cc(c2c(F)c(F)c(F)c(F)c2F)cc1)(C(C)C)(C(C)C)C(C)C
• Title of publication: Au-Catalyzed Cross-Coupling of Arenes via Double C-H Activation.
• Authors of publication: Cambeiro, Xacobe C.; Ahlsten, Nanna; Larrosa, Igor
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 50
• Pages of publication: 15636 - 15639
• a: 8.5241 ± 0.0003 Å
• b: 19.1667 ± 0.0007 Å
• c: 11.8169 ± 0.0004 Å
• α: 90°
• β: 93.125 ± 0.004°
• γ: 90°
• Cell volume: 1927.76 ± 0.12 ų
• Cell temperature: 149.93 ± 0.18 K
• Ambient diffraction temperature: 149.93 ± 0.18 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0969
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No