Information card for entry 7245400

Structure parameters

• Formula: C23 H19 N3 O9 S
• Calculated formula: C23 H19 N3 O9 S
• Title of publication: Stereoselective synthesis of the isoxazolidine ring via manganese(iii)-catalysed aminoperoxidation of unactivated alkenes using molecular oxygen in air under ambient conditions
• Authors of publication: Yamamoto, Daisuke; Hirano, Issei; Narushima, Yuki; Soga, Masayuki; Ansai, Hiromasa; Makino, Kazuishi
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 7162 - 7170
• a: 15.7934 ± 0.0003 Å
• b: 6.97062 ± 0.00013 Å
• c: 20.9252 ± 0.0004 Å
• α: 90°
• β: 106.862 ± 0.008°
• γ: 90°
• Cell volume: 2204.61 ± 0.12 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No