Information card for entry 7106381

Structure parameters

• Formula: C28 H23 Cl2 N O4
• Calculated formula: C28 H23 Cl2 N O4
• SMILES: Clc1ccccc1[C@@H]1C2([C@H](CC(=O)C1)c1ccccc1Cl)C(=O)N(c1ccccc21)C(=O)OCC
• Title of publication: A highly organocatalytic stereoselective double Michael reaction: efficient construction of optically enriched spirocyclic oxindoles
• Authors of publication: Liang-Liang Wang; Lin Peng; Jian-Fei Bai; Li-Na Jia; Xi-Ya Luo; Qing-Chuan Yang; Qing-Chun Huang; Xiaoying Xu; Li-xin Wang
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5593
• a: 9.3609 ± 0.0017 Å
• b: 11.697 ± 0.002 Å
• c: 22.151 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2425.4 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0425
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No