Information card for entry 1552251

Structure parameters

• Formula: C28 H20 F N O2
• Calculated formula: C28 H20 F N O2
• SMILES: F/C(=C(\c1ccccc1)C(=O)c1ccccc1)C(=O)N(c1ccccc1)c1ccccc1
• Title of publication: Highly Stereoselective Nickel-Catalyzed Difluoroalkylation of Aryl Ketones to Tetrasubstituted Monofluoroalkenes and Quaternary Alkyl Difluorides
• Authors of publication: Li, Chao; Cao, Yi-Xuan; Jin, Ruoxing; Bian, Kang-Jie; Qin, Zi-Yang; Lan, Quan; Wang, Xi-Sheng
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 5.9409 ± 0.0002 Å
• b: 10.8429 ± 0.0002 Å
• c: 32.9352 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2121.57 ± 0.09 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No