Information card for entry 7236287

Structure parameters

• Formula: C24 H23 Cl N2 O3
• Calculated formula: C24 H23 Cl N2 O3
• Title of publication: Facile access to novel 1,2,4-oxadiazinan-5-ones via [3 + 3] cycloaddition of in situ generated azaoxyallyl cations with nitrones
• Authors of publication: Zhao, Hong-Wu; Zhao, Yu-Di; Liu, Yue-Yang; Zhao, Li-Jiao; Feng, Ning-Ning; Pang, Hai-Liang; Chen, Xiao-Qin; Song, Xiu-Qing; Du, Juan
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 21
• Pages of publication: 12916
• a: 22.15 ± 0.004 Å
• b: 5.97 ± 0.001 Å
• c: 15.611 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2064.3 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0221
• Weighted residual factors for significantly intense reflections: 0.0583
• Weighted residual factors for all reflections included in the refinement: 0.0588
• 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