Information card for entry 4126045

Structure parameters

• Formula: C21 H20 F N Si
• Calculated formula: C21 H20 F N Si
• SMILES: CN1CCc2cc(c(cc12)F)[SiH](c1ccccc1)c1ccccc1
• Title of publication: B(C6F5)3-Catalyzed (Convergent) Disproportionation Reaction of Indoles.
• Authors of publication: Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 21
• Pages of publication: 7399 - 7407
• a: 10.6463 ± 0.0012 Å
• b: 19.807 ± 0.002 Å
• c: 16.5261 ± 0.0018 Å
• α: 90°
• β: 96.816 ± 0.002°
• γ: 90°
• Cell volume: 3460.2 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.1689
• Residual factor for significantly intense reflections: 0.1116
• Weighted residual factors for significantly intense reflections: 0.2208
• Weighted residual factors for all reflections included in the refinement: 0.2502
• Goodness-of-fit parameter for all reflections included in the refinement: 1.169
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No