Information card for entry 7060798

Structure parameters

• Formula: C26 H26 N2 O4 S
• Calculated formula: C26 H26 N2 O4 S
• SMILES: S1(=O)(=O)N(c2c([C@]31[C@@H](N[C@@H]([C@H]3c1c(cccc1)C)C(=O)OC)c1ccccc1)cccc2)C
• Title of publication: Ag(i)/(S,S)-ip-FOXAP catalyzed diastereo- and enantioselective 1,3-dipolar cycloaddition of azomethine ylides with benzosultam-3-ylidenes
• Authors of publication: Jiao, Luzhen; Cao, Guorui; Teng, Dawei
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 14401 - 14405
• a: 7.003 ± 0.003 Å
• b: 15.272 ± 0.006 Å
• c: 21.223 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2269.8 ± 1.6 ų
• Cell temperature: 173 ± 2 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: 0.0594
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No