Information card for entry 7151630

Structure parameters

• Formula: C33 H36 Cl3 N3 Ni O5
• Calculated formula: C33 H36 Cl3 N3 Ni O5
• SMILES: [Ni]123N(C(=O)C[N]41CCCCC4)c1ccccc1C(=[N]2[C@@H](C(=O)O3)[C@@H](CCO)c1ccccc1OC)c1ccccc1.ClC(Cl)Cl
• Title of publication: Catalytic asymmetric Michael addition of α,β-unsaturated aldehydes to Ni(II) complexes of the Schiff base of glycine.
• Authors of publication: Luo, Xiaoyan; Jin, Zhichao; Li, Pengfei; Gao, Jiabin; Yue, Weimin; Liang, Xinmiao; Ye, Jinxing
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 793 - 801
• a: 8.565 ± 0.004 Å
• b: 12.029 ± 0.006 Å
• c: 16.76 ± 0.008 Å
• α: 90°
• β: 91.239 ± 0.01°
• γ: 90°
• Cell volume: 1726.4 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1231
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.2011
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No