Information card for entry 7157773

Structure parameters

• Formula: C17 H19 N O3 S
• Calculated formula: C17 H19 N O3 S
• Title of publication: Divergent synthesis of oxazolidines and morpholines <i>via</i> PhI(OAc)₂-mediated difunctionalization of alkenes.
• Authors of publication: Yang, Shuang; Chen, Yuhang; Yuan, Zidan; Bu, Feiyu; Jiang, Cheng; Ding, Zhenhua
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 48
• Pages of publication: 9873 - 9882
• a: 5.9286 ± 0.0005 Å
• b: 8.2863 ± 0.0007 Å
• c: 8.6201 ± 0.0008 Å
• α: 109.21 ± 0.003°
• β: 90.208 ± 0.003°
• γ: 103.829 ± 0.002°
• Cell volume: 386.74 ± 0.06 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0947
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No