Information card for entry 7247727

Structure parameters

• Formula: C17 H16 F2 N2 O
• Calculated formula: C17 H16 F2 N2 O
• Title of publication: Practical conversion of gem-difluorocyclopropenes for the chemodivergent assembly of fluorinated heterocyclic frameworks
• Authors of publication: Pan, Dongping; Liu, Fu-Xiaomin; Zeng, Zhongyi; Ye, Junwei; Cai, Ying; Wang, Shengdong; Zhou, Zhi; Yi, Wei
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 24
• Pages of publication: 10630 - 10637
• a: 37.7194 ± 0.0004 Å
• b: 16.9142 ± 0.0002 Å
• c: 9.49011 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6054.63 ± 0.12 ų
• Cell temperature: 294.6 ± 0.1 K
• Ambient diffraction temperature: 294.6 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No