Information card for entry 7160358

Structure parameters

• Formula: C30 H25 Cl N2 O4
• Calculated formula: C30 H25 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: 12.6891 ± 0.0004 Å
• b: 8.3323 ± 0.0003 Å
• c: 13.3055 ± 0.0005 Å
• α: 90°
• β: 111.156 ± 0.002°
• γ: 90°
• Cell volume: 1311.97 ± 0.08 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 ± 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: 0.0828
• Residual factor for significantly intense reflections: 0.0528
• Weighted residual factors for significantly intense reflections: 0.14
• Weighted residual factors for all reflections included in the refinement: 0.156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No