Information card for entry 7160511

Structure parameters

• Chemical name: dimethyl (Z)-2-(1-benzamido-2-oxo-2-phenylethylidene)succinate
• Formula: C21 H19 N O6
• Calculated formula: C21 H19 N O6
• Title of publication: Hydrogen-bonding-controlled stereospecific synthesis of <i>Z</i>-enamides.
• Authors of publication: Zhang, Xiaoyu; Lu, Xiangyu; Zou, Yajun; Lang, JiaJia; Wang, Yingwei; Zhao, Gang
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 20
• Pages of publication: 4884 - 4887
• a: 5.6083 ± 0.0015 Å
• b: 12.004 ± 0.004 Å
• c: 14.983 ± 0.005 Å
• α: 78.692 ± 0.011°
• β: 84.933 ± 0.01°
• γ: 79.177 ± 0.01°
• Cell volume: 970.1 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No