Information card for entry 1503067

Structure parameters

• Formula: C19 H20 N2 O5
• Calculated formula: C19 H20 N2 O5
• SMILES: O(c1ccc(cc1)[C@@H](CN(=O)=O)[C@@H](C)C(=O)C(=O)Nc1ccccc1)C
• Title of publication: syn-Selective catalytic asymmetric 1,4-addition of alpha-ketoanilides to nitroalkenes under dinuclear nickel catalysis.
• Authors of publication: Xu, Yingjie; Matsunaga, Shigeki; Shibasaki, Masakatsu
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 14
• Pages of publication: 3246 - 3249
• a: 9.682 ± 0.0003 Å
• b: 9.9137 ± 0.0004 Å
• c: 19.0085 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1824.52 ± 0.11 ų
• Cell temperature: 153.1 K
• Ambient diffraction temperature: 153.1 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 significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.08
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No