Information card for entry 1562386

Structure parameters

• Formula: C15 H20 Cl N O3
• Calculated formula: C15 H20 Cl N O3
• SMILES: Clc1cc(C[C@@H]2N(OCC2)C(=O)OC(C)(C)C)ccc1
• Title of publication: Palladium/Xu-Phos-Catalyzed Asymmetric Carboamination towards Isoxazolidines and Pyrrolidines
• Authors of publication: Wang, Yuzhuo; Wang, Lei; Chen, Mingjie; Tu, Youshao; Liu, Yu; Zhang, Junliang
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 9.5536 ± 0.0001 Å
• b: 10.5647 ± 0.0001 Å
• c: 15.067 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1520.73 ± 0.02 ų
• Cell temperature: 99.99 ± 0.1 K
• Ambient diffraction temperature: 99.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0229
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0586
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0359
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No