Information card for entry 7134585

Structure parameters

• Chemical name: SKX-JSL-3aa
• Formula: C21 H21 N O4
• Calculated formula: C21 H21 N O4
• Title of publication: Photoredox catalyzed three-component tandem cyclization of 1,5-dienes with α-keto acids and water to access pyrrolidinones
• Authors of publication: Sui, Kaixia; Jiang, Shiliang; Leng, Yuting; Wu, Yusheng; Wu, Yangjie
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 52
• Pages of publication: 9456 - 9459
• a: 6.22346 ± 0.00018 Å
• b: 22.0539 ± 0.0008 Å
• c: 13.8854 ± 0.0004 Å
• α: 90°
• β: 101.653 ± 0.003°
• γ: 90°
• Cell volume: 1866.51 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0546
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1221
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No