Information card for entry 7127603

Structure parameters

• Formula: C25 H25 F7 N2 O4
• Calculated formula: C25 H25 F7 N2 O4
• Title of publication: Regioselective C(sp³)-H fluorination of ketones: from methyl to the monofluoromethyl group.
• Authors of publication: Wu, Qiu-Zi; Mao, Yang-Jie; Zhou, Kun; Hao, Hong-Yan; Chen, Lei; Wang, Shuang; Xu, Zhen-Yuan; Lou, Shao-Jie; Xu, Dan-Qian
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 6
• Pages of publication: 765 - 768
• a: 8.7568 ± 0.0003 Å
• b: 16.7646 ± 0.0006 Å
• c: 17.6194 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2586.6 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0798
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No