Information card for entry 1547944

Structure parameters

• Formula: C19 H16 Cl N O4
• Calculated formula: C19 H16 Cl N O4
• SMILES: Cl[C@]1([C@H](CC(=O)C(=O)OC)c2ccccc2)c2c(NC1=O)cccc2.Cl[C@]1(c2c(NC1=O)cccc2)[C@@H](CC(=O)C(=O)OC)c1ccccc1
• 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: 12.3416 ± 0.0003 Å
• b: 17.221 ± 0.0005 Å
• c: 16.8272 ± 0.0005 Å
• α: 90°
• β: 95.88 ± 0.003°
• γ: 90°
• Cell volume: 3557.55 ± 0.17 ų
• Cell temperature: 293.2 ± 0.1 K
• Ambient diffraction temperature: 293.2 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.169
• Weighted residual factors for all reflections included in the refinement: 0.1806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No