Information card for entry 7129453

Structure parameters

• Formula: C22 H18 F2 O4
• Calculated formula: C22 H20 F2 O4
• Title of publication: Ester directed orthogonal dual C-H activation and ortho aryl C-H alkenylation via distal weak coordination
• Authors of publication: Bakthadoss, Manickam; Reddy, Tadiparthi Thirupathi; Agarwal, Vishal; Sharada, Duddu Savaraiah
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 7.7331 ± 0.0011 Å
• b: 20.6428 ± 0.0019 Å
• c: 12.1338 ± 0.0015 Å
• α: 90°
• β: 94.067 ± 0.011°
• γ: 90°
• Cell volume: 1932.1 ± 0.4 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.1453
• Residual factor for significantly intense reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.2446
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No