Information card for entry 7160359

Structure parameters

• Formula: C24 H21 Cl N2 O4
• Calculated formula: C24 H21 Cl N2 O4
• Title of publication: Concise asymmetric synthesis of (-)-Bao Gong Teng A <i>via</i> Evans chiral auxiliary-based 1,3-dipolar cycloaddition.
• Authors of publication: Zhao, Yi-Wen; Wang, Jun-Fei; Xu, Jianrong; Chen, Hongzhuan; Tan, Yun-Xuan; Tian, Ping
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 10
• Pages of publication: 2370 - 2374
• a: 12.5846 ± 0.0003 Å
• b: 6.2016 ± 0.0002 Å
• c: 13.8899 ± 0.0004 Å
• α: 90°
• β: 96.423 ± 0.002°
• γ: 90°
• Cell volume: 1077.23 ± 0.05 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1101
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No