Information card for entry 1553231

Structure parameters

• Formula: C23 H18 N2 O5
• Calculated formula: C23 H18 N2 O5
• SMILES: O=C1O[C@](C(=O)N1c1ccccc1)(c1ccccc1)[C@H](CN(=O)=O)c1ccccc1
• Title of publication: Organocatalytic asymmetric conjugate addition of diaryloxazolidin-2,4-diones to nitroolefins: an efficient approach to chiral α-aryl-α-hydroxy carboxylic acids
• Authors of publication: Jiao, Lihui; Zhao, Xiaowei; Liu, Huixin; Ye, Xinyi; Li, Yun; Jiang, Zhiyong
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 470
• a: 7.6839 ± 0.0002 Å
• b: 11.0556 ± 0.0003 Å
• c: 12.4153 ± 0.0004 Å
• α: 90°
• β: 106.486 ± 0.004°
• γ: 90°
• Cell volume: 1011.32 ± 0.05 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291.15 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No