Information card for entry 7128583

Structure parameters

• Formula: C19 H14 F3 N O
• Calculated formula: C19 H14 F3 N O
• SMILES: FC(F)(F)C1Cc2c(=O)n(c3c(c12)cccc3)Cc1ccccc1
• Title of publication: Visible light-induced one-pot synthesis of CF₃/CF₂-substituted cyclobutene derivatives.
• Authors of publication: Hu, Xiao; Ding, Aishun; Xu, Dawen; Guo, Hao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 60
• Pages of publication: 7441 - 7444
• a: 9.0542 ± 0.0007 Å
• b: 10.087 ± 0.0008 Å
• c: 16.9352 ± 0.0014 Å
• α: 90°
• β: 93.412 ± 0.003°
• γ: 90°
• Cell volume: 1543.9 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0511
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No