Information card for entry 7160399

Structure parameters

• Formula: C32 H26 N2 O4
• Calculated formula: C32 H26 N2 O4
• Title of publication: Iron-catalyzed 1,3-dipolar cycloaddition of alkynes and aryl nitrones for the synthesis of chiral Δ⁴-isoxazolines.
• Authors of publication: Zhao, Zhen-Ni; Li, Shuo; Zhu, Shi-Xuan; Liu, Guo-Hua; Li, Sheng-Yu; Li, Yi-Chao; Wang, Yi-Long; Huang, Yi-Yong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 14
• Pages of publication: 3372 - 3379
• a: 8.6168 ± 0.0006 Å
• b: 15.768 ± 0.0012 Å
• c: 9.6852 ± 0.0007 Å
• α: 90°
• β: 103.245 ± 0.003°
• γ: 90°
• Cell volume: 1280.92 ± 0.16 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1008
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No