Information card for entry 7159528

Structure parameters

• Formula: C28 H29 N O6
• Calculated formula: C28 H29 N O6
• Title of publication: Cycloaddition of <i>N</i>-arylnitrones with donor-acceptor oxiranes <i>via</i> C-C bond cleavage to construct 1,5,2-dioxazinanes.
• Authors of publication: Li, Wenhui; Lin, Jianying; Huang, Shuangping; Liu, Qiang; Wei, Wenlong; Li, Xing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 33
• Pages of publication: 6778 - 6782
• a: 9.668 ± 0.0001 Å
• b: 16.949 ± 0.0002 Å
• c: 30.1249 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4936.35 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1281
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No