Information card for entry 7155155

Structure parameters

• Formula: C24 H19 N O3 S
• Calculated formula: C24 H19 N O3 S
• SMILES: S1(=O)(=O)N2C(=C[C@@H]([C@@H](C2=O)Cc2ccccc2)c2ccccc2)c2c1cccc2
• Title of publication: Enantioselective N-heterocyclic carbene-catalyzed synthesis of saccharine-derived dihydropyridinones with cis-selectivity.
• Authors of publication: Liang, Zhi-Qin; Wang, Dong-Ling; Zhang, Chun-Lin; Ye, Song
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 27
• Pages of publication: 6422 - 6425
• a: 11.908 ± 0.002 Å
• b: 12.416 ± 0.003 Å
• c: 13.154 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1944.8 ± 0.7 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 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: 0.037
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No