Information card for entry 7131950

Structure parameters

• Formula: C31.5 H12 B Cl F15 N
• Calculated formula: C31 H11 B F15 N
• 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: 20.3655 ± 0.0006 Å
• b: 13.5543 ± 0.0006 Å
• c: 20.8012 ± 0.0008 Å
• α: 90°
• β: 93.36 ± 0.002°
• γ: 90°
• Cell volume: 5732.1 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0651
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0371
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No