Information card for entry 1556266

Structure parameters

• Formula: C28 H27 N O6
• Calculated formula: C28 H27 N O6
• SMILES: O=C(OC)C([C@@H]([C@H](N=C(c1ccccc1)c1ccccc1)C(=O)OC)c1ccccc1)C(=O)OC
• Title of publication: Novel N,O-Cu(OAc)2 complex catalysed diastereo- and enantioselective 1,4-addition of glycine derivatives to alkylidene malonates
• Authors of publication: Wang, Ming; Shi, Yu-Hua; Luo, Jun-Fei; Du, Wenting; Shi, Xiao-Xin; Fossey, John S.; Deng, Wei-Ping
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2011
• Journal volume: 1
• Journal issue: 1
• Pages of publication: 100
• a: 10.42 ± 0.0017 Å
• b: 12.888 ± 0.002 Å
• c: 19.103 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2565.4 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0463
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No