Information card for entry 4515712

Structure parameters

• Formula: C30 H12.5 Al Cl F15.5 N
• Calculated formula: C30 H13 Al Cl F15.5 N
• SMILES: [Al]([N]1(C)CCc2cc(Cl)ccc12)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(ccccc1)F
• Title of publication: Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair
• Authors of publication: Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 9
• Pages of publication: 8765
• a: 10.307 ± 0.0013 Å
• b: 26.879 ± 0.003 Å
• c: 20.89 ± 0.003 Å
• α: 90°
• β: 101.156 ± 0.002°
• γ: 90°
• Cell volume: 5678 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1086
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No