Information card for entry 7161103

Structure parameters

• Formula: C44 H34 N2 O6 S2
• Calculated formula: C44 H34 N2 O6 S2
• 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: 10.1396 ± 0.0005 Å
• b: 16.5438 ± 0.0008 Å
• c: 23.8646 ± 0.0012 Å
• α: 90°
• β: 101.338 ± 0.002°
• γ: 90°
• Cell volume: 3925.1 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0484
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No