Information card for entry 7160263

Structure parameters

• Formula: C58 H42 N2 O8 S4
• Calculated formula: C58 H42 N2 O8 S4
• 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: 16.1179 ± 0.0003 Å
• b: 12.2499 ± 0.0002 Å
• c: 26.8761 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5306.49 ± 0.16 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1213
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No