Information card for entry 7160096

Structure parameters

• Formula: C22 H22 N2 O6 S
• Calculated formula: C22 H22 N2 O6 S
• Title of publication: Enantioselective Michael addition of 3-hydroxy-2-pyridone to nitroolefins using cinchona-derived bifunctional organocatalysts.
• Authors of publication: Gi, Minseok; Oh, Daehyun; Yang, Sehun; Lee, Jaeyong; Jung, So Hyun; Baek, Ju Ha; Ha, Min Woo; Lee, Geumwoo; Park, Hyeung-Geun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 34
• Pages of publication: 7017 - 7023
• a: 5.8856 ± 0.001 Å
• b: 13.443 ± 0.002 Å
• c: 26.71 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2113.3 ± 0.6 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.151
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No