Information card for entry 7131811

Structure parameters

• Formula: C18 H18 F3 N O5
• Calculated formula: C18 H18 F3 N O5
• 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: 8.6797 ± 0.001 Å
• b: 9.5445 ± 0.0013 Å
• c: 12.4267 ± 0.0016 Å
• α: 72.122 ± 0.004°
• β: 71.882 ± 0.004°
• γ: 89.575 ± 0.004°
• Cell volume: 926.8 ± 0.2 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 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: 0.1212
• Residual factor for significantly intense reflections: 0.1037
• Weighted residual factors for significantly intense reflections: 0.2923
• Weighted residual factors for all reflections included in the refinement: 0.3057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0453
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No