Information card for entry 7158795

Structure parameters

• Formula: C28 H24 Cl N O2 S Se2
• Calculated formula: C28 H24 Cl N O2 S Se2
• SMILES: [Se](CC(=C\N(S(=O)(=O)c1ccc(cc1)C)c1ccc(Cl)cc1)\[Se]c1ccccc1)c1ccccc1
• Title of publication: Synthesis of 1,2-diselenides via potassium persulfate mediated diselenation of allenamides with diselenides.
• Authors of publication: Tan, Xiao-Ju; Zhao, Kun; Zhong, Xue-Fang; Yang, Lan; Dong, Yi-Ming; Wang, Tian-Mi; Yu, Shengping; Zhao, Zhi-Gang; Li, Xiao-Xiao
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 8.797 ± 0.0007 Å
• b: 9.5081 ± 0.001 Å
• c: 31.917 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2669.6 ± 0.4 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 K
• Number of distinct elements: 7
• 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: 0.0707
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0716
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No