Information card for entry 7133580

Structure parameters

• Formula: C17 H13 N O2 S Se
• Calculated formula: C17 H13 N O2 S Se
• Title of publication: Metal-free radical selenothiocyanation of terminal and internal alkynes.
• Authors of publication: Chen, Jiabin; Bai, Xiaoyan; Jiang, Haobo; Zhao, Cong; Li, Ya; Chu, Mingming; Li, Yiming; Zhang, Min; Chen, Lu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 74
• Pages of publication: 10196 - 10199
• a: 5.852 Å
• b: 19.044 Å
• c: 14.544 Å
• α: 90°
• β: 101.05°
• γ: 90°
• Cell volume: 1590.81 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0935
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0865
• Weighted residual factors for all reflections included in the refinement: 0.1214
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No