Information card for entry 7160830

Structure parameters

• Formula: C26 H23 N O3
• Calculated formula: C26 H23 N O3
• Title of publication: Diastereoselective construction of azabicyclo[3.1.0]hexan-2-ones <i>via</i> a base-mediated cascade annulation of β-oxo-acrylamides with vinylsulfonium salts.
• Authors of publication: Wang, Zhaoxue; Wu, Ping; Yan, Rui; Zhao, Zhen-Guo; Du, Yuhang; Xiao, Yilei; Wu, Lingang; Xie, Lei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 45
• Pages of publication: 10285 - 10289
• a: 11.153 ± 0.0003 Å
• b: 6.2741 ± 0.0002 Å
• c: 15.0812 ± 0.0004 Å
• α: 90°
• β: 100.252 ± 0.001°
• γ: 90°
• Cell volume: 1038.46 ± 0.05 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 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: 0.0354
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No