Information card for entry 7160512

Structure parameters

• Chemical name: dimethyl (E)-2-(1-(2-fluorobenzamido)-2-oxo-2-phenylethylidene)succinate
• Formula: C21 H18 F N O6
• Calculated formula: C21 H18 F 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: 9.242 ± 0.003 Å
• b: 10.902 ± 0.004 Å
• c: 11.076 ± 0.004 Å
• α: 98.407 ± 0.009°
• β: 109.822 ± 0.008°
• γ: 107.406 ± 0.009°
• Cell volume: 962.9 ± 0.6 ų
• Cell temperature: 303 ± 2 K
• Ambient diffraction temperature: 303 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0699
• Weighted residual factors for significantly intense reflections: 0.1831
• Weighted residual factors for all reflections included in the refinement: 0.2267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No