Information card for entry 7135853

Structure parameters

• Chemical name: 1
• Formula: C18 H14 F2 N2 O
• Calculated formula: C18 H14 F2 N2 O
• Title of publication: An Unexpected NH4HSO4-Catalyzed C3-H Alkenylation of Quinoxalin-2(1H)-ones with Allenes
• Authors of publication: Luo, Ding; Duan, Li-Mei; Yang, Hong; Peng, Sha; Yang, Li-Hua; Xie, Long-Yong
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 12.29858 ± 0.00014 Å
• b: 18.4524 ± 0.0002 Å
• c: 12.77536 ± 0.00014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2899.22 ± 0.06 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0373
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.0976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No