Information card for entry 4038728

Structure parameters

• Formula: C21 H20 F0.25 N O6
• Calculated formula: C21 H18 F2 N2 O3
• Title of publication: Redox-Neutral Photocatalytic Radical Cascade Cyclization for the Synthesis of CH₂CN/CF₂COOEt/CF₃-Containing Benzo[4,5]imidazo[2,1-<i>a</i>]isoquinolin-6(5<i>H</i>)-One Derivatives.
• Authors of publication: Liu, Liang; Yang, De-Yong; He, Yan-Hong; Guan, Zhi
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2020
• a: 12.849 ± 0.0002 Å
• b: 11.07235 ± 0.00014 Å
• c: 13.347 ± 0.0002 Å
• α: 90°
• β: 103.715 ± 0.0017°
• γ: 90°
• Cell volume: 1844.71 ± 0.05 ų
• Cell temperature: 292 ± 1 K
• Ambient diffraction temperature: 292 ± 1 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: 0.0445
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No