Information card for entry 7250181

Structure parameters

• Formula: C20 H17 D3 O2 S Se
• Calculated formula: C20 H20 O2 S Se
• Title of publication: Deuterated methylselenylating reagents designed for diverse Se-methyl-d3 scaffold construction
• Authors of publication: Xiao, Xiao; Tian, Hong-Yu; Sun, Jia-Chen; Bai, Jun; Wang, Min; Chen, Biao; Jin, Yu-Xia; Jiang, Hai-Bo; Cheng, Dang; Chen, Fen-Er
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 17
• Pages of publication: 4779 - 4794
• a: 15.7314 ± 0.0006 Å
• b: 5.9645 ± 0.0002 Å
• c: 19.2934 ± 0.0007 Å
• α: 90°
• β: 98.228 ± 0.001°
• γ: 90°
• Cell volume: 1791.66 ± 0.11 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.111
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1189
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No