Information card for entry 4514631

Structure parameters

• Formula: C25 H22 F N O
• Calculated formula: C25 H22 F N O
• SMILES: c12ccccc1[C@@](C(=O)N2C)(C)C/C(=C/c1ccc(cc1)c1ccccc1)F
• Title of publication: Nickel-Catalyzed Enantioselective Reductive Aryl Fluoroalkenylation of Alkenes
• Authors of publication: Ma, Teng; Chen, Yate; Li, Yuxiu; Ping, Yuanyuan; Kong, Wangqing
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 10
• Pages of publication: 9127
• a: 6.9609 ± 0.0002 Å
• b: 9.0105 ± 0.0002 Å
• c: 32.0299 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2008.95 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0419
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.143
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No