Information card for entry 7160693

Structure parameters

• Formula: C29 H25 N O3
• Calculated formula: C29 H25 N O3
• Title of publication: Highly regio- and diastereoselective construction of spirocyclic compounds <i>via</i> palladium-catalyzed [3 + 2] cycloaddition of vinyl methylene cyclic carbonates with pyrrolidinones.
• Authors of publication: Liu, Huizhi; Zong, Jiayi; Zhang, Boxuan; Wang, JiaHao; Zheng, Guohui; Ke, Miaolin; Chen, Fener
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 35
• Pages of publication: 7951 - 7955
• a: 6.453 ± 0.0004 Å
• b: 22.8186 ± 0.0015 Å
• c: 15.7558 ± 0.001 Å
• α: 90°
• β: 100.102 ± 0.003°
• γ: 90°
• Cell volume: 2284 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.1153
• Residual factor for significantly intense reflections: 0.086
• Weighted residual factors for significantly intense reflections: 0.2373
• Weighted residual factors for all reflections included in the refinement: 0.2654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No