Information card for entry 1547943

Structure parameters

• Formula: C24 H23 N O6
• Calculated formula: C24 H23 N O6
• SMILES: O=C(C(=O)OC)[C@H]1[C@H](c2ccccc2)[C@@]21C(=O)N(C(=O)OC(C)(C)C)c1ccccc21
• Title of publication: Diastereodivergent asymmetric Michael-alkylation reactions using chiral <i>N</i>,<i>N</i>'-dioxide/metal complexes.
• Authors of publication: Kuang, Yulong; Shen, Bin; Dai, Li; Yao, Qian; Liu, Xiaohua; Lin, Lili; Feng, Xiaoming
• Journal of publication: Chemical science
• Year of publication: 2018
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 688 - 692
• a: 6.6941 ± 0.0002 Å
• b: 8.926 ± 0.0004 Å
• c: 18.2322 ± 0.0006 Å
• α: 90°
• β: 92.895 ± 0.003°
• γ: 90°
• Cell volume: 1088.01 ± 0.07 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.1827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No