Information card for entry 4038697

Structure parameters

• Formula: C21 H23 N O2 Se
• Calculated formula: C21 H23 N O2 Se
• Title of publication: Silver-Catalyzed Remote C5-H Selenylation of Indoles.
• Authors of publication: Song, Wei-Hong; Shi, Jia; Chen, Xiaohong; Song, Guoyong
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 12.0693 ± 0.0008 Å
• b: 10.9616 ± 0.0008 Å
• c: 29.0524 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3843.6 ± 0.5 ų
• Cell temperature: 146 ± 2 K
• Ambient diffraction temperature: 146 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0677
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0911
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No