Information card for entry 7249639

Structure parameters

• Formula: C20 H16 F6 N6 O2
• Calculated formula: C20 H16 F6 N6 O2
• Title of publication: EDA complex-mediated [3 + 2] cyclization for the synthesis of CF3-oxadiazoles
• Authors of publication: Huang, Mengjun; Wang, Guoqiang; Li, Heyin; Zou, Zhenlei; Jia, Xingye; Karotsis, Georgios; Pan, Yi; Zhang, Weigang; Ma, Jing; Wang, Yi
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 2
• Pages of publication: 413 - 419
• a: 5.9 ± 0.003 Å
• b: 12.748 ± 0.006 Å
• c: 28.745 ± 0.015 Å
• α: 90°
• β: 95.113 ± 0.019°
• γ: 90°
• Cell volume: 2153.4 ± 1.9 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1061
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No