Information card for entry 7131948

Structure parameters

• Formula: C41 H34 B F15 N2
• Calculated formula: C41 H34 B F15 N2
• Title of publication: B(C6F5)3-mediated direct intramolecular C7-alkenylation of N-propargylindoles
• Authors of publication: Cui, Jie; Wang, Tongdao
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 17.8727 ± 0.0012 Å
• b: 12.5536 ± 0.0008 Å
• c: 18.2517 ± 0.0011 Å
• α: 90°
• β: 110.948 ± 0.003°
• γ: 90°
• Cell volume: 3824.4 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 5
• 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: 0.1926
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1163
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 0.963
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No