Information card for entry 1514569

Structure parameters

• Formula: C23 H25 N O4
• Calculated formula: C23 H25 N O4
• SMILES: O(C(=O)C(=O)[C@@]1(ON(c2ccccc2)[C@@H]2[C@H]1c1c(C2)cccc1)C)C(C)(C)C.O(C(=O)C(=O)[C@]1(ON(c2ccccc2)[C@H]2[C@@H]1c1c(C2)cccc1)C)C(C)(C)C
• Title of publication: A visible-light-promoted aerobic C‒H/C‒N cleavage cascade to isoxazolidine skeletons
• Authors of publication: Xie, Jin; Xue, Qicai; Jin, Hongming; Li, Huamin; Cheng, Yixiang; Zhu, Chengjian
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 1281
• a: 18.485 ± 0.012 Å
• b: 5.944 ± 0.003 Å
• c: 18.057 ± 0.012 Å
• α: 90°
• β: 92.841 ± 0.013°
• γ: 90°
• Cell volume: 1982 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1235
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1862
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No