Information card for entry 1547575

Structure parameters

• Formula: C25 H22 N2 O6
• Calculated formula: C25 H22 N2 O6
• SMILES: C(=O)([C@@H](C/C(=C\c1ccc(cc1)N(=O)=O)C(=O)OC)/N=C/c1cc2ccccc2cc1)OC
• Title of publication: Asymmetric Synthesis of Glutamic Acid Derivatives by Silver-Catalyzed Conjugate Addition-Elimination Reactions.
• Authors of publication: Yuan, Yang; Yu, Bo; Bai, Xing-Feng; Xu, Zheng; Zheng, Zhan-Jiang; Cui, Yu-Ming; Cao, Jian; Xu, Li-Wen
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4896 - 4899
• a: 11.5902 ± 0.0018 Å
• b: 7.8925 ± 0.0011 Å
• c: 25.534 ± 0.004 Å
• α: 90°
• β: 96.954 ± 0.003°
• γ: 90°
• Cell volume: 2318.6 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0868
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1151
• Weighted residual factors for all reflections included in the refinement: 0.1374
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No