Information card for entry 7160261

Structure parameters

• Formula: C31 H23 F2 N O4 S2
• Calculated formula: C31 H23 F2 N O4 S2
• Title of publication: One-pot synthesis of symmetrical bis-sulfonyl 2,6-diarylpyridines <i>via</i> BiCl₃-catalyzed and K₂S₂O₈-mediated domino annulation of β-ketosulfones and <i>N</i>,<i>N</i>-dimethylacetamide.
• Authors of publication: Chang, Meng-Yang; Lin, Chun-Yi
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 4
• Pages of publication: 844 - 853
• a: 12.1425 ± 0.0003 Å
• b: 13.6754 ± 0.0003 Å
• c: 18.9825 ± 0.0004 Å
• α: 90°
• β: 105.144 ± 0.002°
• γ: 90°
• Cell volume: 3042.65 ± 0.12 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No