Information card for entry 4033963

Structure parameters

• Formula: C25 H25 N O3 S Se
• Calculated formula: C25 H25 N O3 S Se
• Title of publication: Visible Light-Induced Co- or Cu-Catalyzed Selenosulfonylation of Alkynes: Synthesis of β-(Seleno)vinyl Sulfones.
• Authors of publication: Zhang, Rong; Xu, Pei; Wang, Shun-Yi; Ji, Shun-Jun
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 19
• Pages of publication: 12324 - 12333
• a: 10.8819 ± 0.0012 Å
• b: 11.2677 ± 0.0013 Å
• c: 19.934 ± 0.002 Å
• α: 90°
• β: 92.701 ± 0.003°
• γ: 90°
• Cell volume: 2441.5 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0922
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No