Information card for entry 4032280

Structure parameters

• Formula: C22 H20 O2 S Se
• Calculated formula: C22 H20 O2 S Se
• SMILES: C(=C(C)\S(=O)(=O)c1ccc(cc1)C)(\c1ccccc1)[Se]c1ccccc1
• Title of publication: Copper-Catalyzed Three Component Regio- and Stereospecific Selenosulfonation of Alkynes: Synthesis of (E)-β-Selenovinyl Sulfones.
• Authors of publication: Liu, Yang; Zheng, Guangfan; Zhang, Qian; Li, Yan; Zhang, Qian
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 4
• Pages of publication: 2269 - 2275
• a: 8.642 Å
• b: 11.567 Å
• c: 11.642 Å
• α: 101.14°
• β: 95.54°
• γ: 95.45°
• Cell volume: 1128.78 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.0938
• Weighted residual factors for significantly intense reflections: 0.2778
• Weighted residual factors for all reflections included in the refinement: 0.3363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No