Information card for entry 4033198

Structure parameters

• Formula: C26 H26 F3 N O4
• Calculated formula: C26 H26 F3 N O4
• Title of publication: Carbene-Catalyzed Indole 3-Methyl C(sp3)-H Bond Functionalization.
• Authors of publication: Cheng, Jian; Sun, Jun; Yan, Jiekuan; Yang, Song; Zheng, Pengcheng; Jin, Zhichao; Chi, Yonggui Robin
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 24
• Pages of publication: 13342 - 13347
• a: 14.1234 ± 0.0008 Å
• b: 10.611 ± 0.0012 Å
• c: 15.8504 ± 0.0012 Å
• α: 90°
• β: 105.486 ± 0.006°
• γ: 90°
• Cell volume: 2289.2 ± 0.3 ų
• Cell temperature: 100.3 K
• Ambient diffraction temperature: 100.3 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: 0.0605
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No