Information card for entry 7134873

Structure parameters

• Formula: C23 H19 N O2
• Calculated formula: C23 H19 N O2
• Title of publication: Palladium-catalyzed tandem cyclization reaction: access to isoxazoline-benzofuran bis-heterocycles.
• Authors of publication: Wu, Qing; Han, Yingna; Tang, Tian; Zhang, Shuwei; Yu, Xiuzhao; Zhao, Guofeng; Hu, Weiming; Wang, Lei
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 69
• Pages of publication: 12928 - 12931
• a: 18.3859 ± 0.0007 Å
• b: 8.7208 ± 0.0003 Å
• c: 11.3513 ± 0.0004 Å
• α: 90°
• β: 101.037 ± 0.002°
• γ: 90°
• Cell volume: 1786.4 ± 0.11 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0762
• Residual factor for significantly intense reflections: 0.0614
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No