Information card for entry 7105267

Structure parameters

• Formula: C20 H19 N O4
• Calculated formula: C20 H19 N O4
• SMILES: c1(ccccc1)C(=O)C[C@@H](c1ccc(cc1)N(=O)=O)[C@H]1C(=O)CCC1
• Title of publication: Highly enantioselective Michael addition of cyclopentanone with chalcones via novel di-iminium mechanism.
• Authors of publication: Wang, Junfeng; Wang, Xin; Ge, Zemei; Cheng, Tieming; Li, Runtao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 1751 - 1753
• a: 8.061 ± 0.002 Å
• b: 10.513 ± 0.003 Å
• c: 11.444 ± 0.003 Å
• α: 67.43 ± 0.004°
• β: 80.858 ± 0.004°
• γ: 87.369 ± 0.004°
• Cell volume: 884.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0638
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0931
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No