Information card for entry 7131812

Structure parameters

• Formula: C8 H8 F2 O4
• Calculated formula: C8 H8 F2 O4
• Title of publication: Ligand-free Pd-catalyzed double Heck reaction of <i>N</i>-(<i>o</i>-bromoaryl)acrylamides with α-F/CF₃-acrylates.
• Authors of publication: Sharma, Ruchi; Jain, Swati; Sihag, Naveen; Yadav, M. Ramu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 5.657 ± 0.0004 Å
• b: 6.5148 ± 0.0004 Å
• c: 6.5836 ± 0.0005 Å
• α: 102.961 ± 0.002°
• β: 109.449 ± 0.002°
• γ: 96.622 ± 0.002°
• Cell volume: 218.14 ± 0.03 ų
• Cell temperature: 301 ± 2 K
• Ambient diffraction temperature: 301 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: 0.0349
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No