Information card for entry 7122211

Structure parameters

• Formula: C20 H19 N O5
• Calculated formula: C20 H19 N O5
• Title of publication: Synthesis of five-membered cyclic nitrones based on the Lewis acid-catalysed [3+2]-annulation reaction of donor-acceptor cyclopropanes with 1,4,2-dioxazoles.
• Authors of publication: Wang, Zhe-Hao; Zhang, Huan-Huan; Xu, Peng-Fei; Luo, Yong-Chun
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 72
• Pages of publication: 10128 - 10131
• a: 9.683 ± 0.002 Å
• b: 9.746 ± 0.003 Å
• c: 11.167 ± 0.003 Å
• α: 68.9 ± 0.03°
• β: 72.87 ± 0.02°
• γ: 64.67 ± 0.03°
• Cell volume: 876.2 ± 0.5 ų
• Cell temperature: 288.52 ± 0.1 K
• Ambient diffraction temperature: 288.52 ± 0.1 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: 0.1289
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1652
• Weighted residual factors for all reflections included in the refinement: 0.2149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No