Information card for entry 1556043

Structure parameters

• Formula: C11 H10 F7 N3 O2
• Calculated formula: C11 H7 F7 N3 O2
• Title of publication: Ambient-Light-Promoted Three-Component Annulation: Synthesis of Perfluoroalkylated Pyrimidines.
• Authors of publication: Wang, Rui; Guan, Wei; Han, Zheng-Bo; Liang, Fushun; Suga, Takeo; Bi, Xihe; Nishide, Hiroyuki
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 2358 - 2361
• a: 16.1302 ± 0.0011 Å
• b: 7.5328 ± 0.0005 Å
• c: 12.1195 ± 0.0013 Å
• α: 90°
• β: 90.161 ± 0.007°
• γ: 90°
• Cell volume: 1472.6 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1327
• Residual factor for significantly intense reflections: 0.0745
• Weighted residual factors for significantly intense reflections: 0.2102
• Weighted residual factors for all reflections included in the refinement: 0.2647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No