Information card for entry 7128581

Structure parameters

• Formula: C19 H13 F2 N O
• Calculated formula: C19 H13 F2 N O
• 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: 8.982 ± 0.005 Å
• b: 13.786 ± 0.005 Å
• c: 13.975 ± 0.003 Å
• α: 112.81 ± 0.03°
• β: 107.33 ± 0.03°
• γ: 96.28 ± 0.03°
• Cell volume: 1472.2 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No