Information card for entry 7229473

Structure parameters

• Formula: C18 H24 N2 O6 S
• Calculated formula: C18 H24 N2 O6 S
• SMILES: S(=O)(N[C@@H](c1cc(N(=O)=O)ccc1)CC1=CC(=O)OC(O1)(C)C)C(C)(C)C
• Title of publication: Asymmetric synthesis of δ-amino acid derivatives via diastereoselective vinylogous Mannich reactions between N-tert-butanesulfinyl imines and dioxinone-derived lithium dienolate
• Authors of publication: Li, Guijun; Xu, Xiaoliang; Tian, Hongchang; Liu, Xiaotong; Chen, Wen; Yang, Xiaodong; Zhang, Hongbin
• Journal of publication: RSC Advances
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 80
• Pages of publication: 50822
• a: 10.9782 ± 0.0013 Å
• b: 11.233 ± 0.0014 Å
• c: 16.728 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2062.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0383
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0876
• Weighted residual factors for all reflections included in the refinement: 0.0913
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No