Information card for entry 4038696

Structure parameters

• Formula: C20 H20 Cl N O Se
• Calculated formula: C20 H20 Cl N O 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: 5.6868 ± 0.0002 Å
• b: 14.0452 ± 0.001 Å
• c: 22.1678 ± 0.0007 Å
• α: 90°
• β: 96.97 ± 0.003°
• γ: 90°
• Cell volume: 1757.51 ± 0.15 ų
• Cell temperature: 110.1 ± 0.1 K
• Ambient diffraction temperature: 110.1 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No