Information card for entry 7158723

Structure parameters

• Formula: C20 H21 N O2
• Calculated formula: C20 H21 N O2
• Title of publication: AgNTf2 Catalyzed Cycloaddition of N-Acyliminium ions with Alkynes for the Synthesis of 3,4-Dihydro-1,3-oxazin-2-one Skeleton
• Authors of publication: Xu, Wenke; Guo, Jiangming; Liu, Chang-Hong; Sun, Jianting; Lv, Min; Wei, Bangguo
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 9.6668 ± 0.0006 Å
• b: 13.1481 ± 0.0007 Å
• c: 13.9023 ± 0.0009 Å
• α: 91.153 ± 0.002°
• β: 94.071 ± 0.002°
• γ: 104.497 ± 0.002°
• Cell volume: 1705.09 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1155
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1495
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No