Information card for entry 7160466

Structure parameters

• Formula: C34 H37 Cl N2 O8 S
• Calculated formula: C34 H37 Cl N2 O8 S
• Title of publication: Organocatalytic Cyclization-Rearrangement Cascade Reaction: Asymmetric Construction of γ-Lactams
• Authors of publication: Wu, Sheng-Feng; Wang, Zhi-Yuan; Sun, Xing-Wen
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 19.2905 ± 0.0002 Å
• b: 19.2905 ± 0.0002 Å
• c: 21.2551 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7909.5 ± 0.2 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 2 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.1003
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No