Information card for entry 4037577

Structure parameters

• Formula: C24 H24 O3 S Se
• Calculated formula: C24 H24 O3 S Se
• SMILES: [Se]([C@H](C(=O)c1ccccc1)[C@@H](S(=O)(=O)c1ccc(cc1)C)CC)c1ccccc1
• Title of publication: Organocatalytic Enantioselective Selenosulfonylation of a C-C Double Bond To Form Two Stereogenic Centers in an Aqueous Medium.
• Authors of publication: Chen, Zhili; Hu, Fangli; Huang, Shengli; Zhao, Zhengxing; Mao, Hui; Qin, Wenling
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 12
• Pages of publication: 8100 - 8111
• a: 5.76106 ± 0.00011 Å
• b: 16.4713 ± 0.0004 Å
• c: 23.1761 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2199.23 ± 0.09 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.0566
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No