Information card for entry 7125828

Structure parameters

• Formula: C18 H16 F2 N2 O4
• Calculated formula: C18 H16 F2 N2 O4
• Title of publication: Asymmetric construction of quaternary α-nitro amides by palladium-catalyzed C(sp³)-H arylation.
• Authors of publication: Kong, Wei-Xin; Xie, Shi-Jing; Cao, Chen-Yao-Zi; Zhang, Chao-Wei; Wang, Chuanyong; Duan, Wei-Liang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 15
• Pages of publication: 2292 - 2295
• a: 9.0527 ± 0.0001 Å
• b: 10.5367 ± 0.0001 Å
• c: 17.9083 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1708.19 ± 0.03 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: 0.037
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No