Information card for entry 7161104

Structure parameters

• Formula: C41 H34 N2 O6 S
• Calculated formula: C41 H34 N2 O6 S
• Title of publication: Visible light-induced synthesis of benzofuro[3,2b]pyridines from aurone-derived azadienes
• Authors of publication: Fan, Jiale; Xie, Jianwei; Lu, Ping; Wang, Yanguang
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 7.8835 ± 0.0012 Å
• b: 14.574 ± 0.002 Å
• c: 16.22 ± 0.002 Å
• α: 108.513 ± 0.004°
• β: 90.182 ± 0.004°
• γ: 98.579 ± 0.005°
• Cell volume: 1744.8 ± 0.4 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1438
• Weighted residual factors for all reflections included in the refinement: 0.1551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No