Information card for entry 7250180

Structure parameters

• Formula: C22 H24 O2 S Se
• Calculated formula: C22 H24 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: 5.9476 ± 0.0007 Å
• b: 18.2684 ± 0.0019 Å
• c: 18.31 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1989.4 ± 0.4 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1427
• Residual factor for significantly intense reflections: 0.1046
• Weighted residual factors for significantly intense reflections: 0.1637
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No