Information card for entry 1567630

Structure parameters

• Formula: C22 H13 F2 N O
• Calculated formula: C22 H13 F2 N O
• SMILES: FC(=C1c2c(N3C1(c1ccccc1)c1c(cccc1)C3=O)cccc2)F
• Title of publication: Palladium-catalyzed intramolecular Heck dearomative <i>gem</i>-difluorovinylation of indoles.
• Authors of publication: Wang, Gang; Li, Wenqi; Liu, Tianxiang; Zhang, Yonghong; Wang, Bin; Xue, Fei; Jin, Weiwei; Ma, Caiyan; Xia, Yu; Liu, Chenjiang
• Journal of publication: Chemical science
• Year of publication: 2022
• Journal volume: 13
• Journal issue: 39
• Pages of publication: 11594 - 11599
• a: 24.1916 ± 0.0017 Å
• b: 9.9649 ± 0.0005 Å
• c: 14.5436 ± 0.0011 Å
• α: 90°
• β: 112.784 ± 0.003°
• γ: 90°
• Cell volume: 3232.4 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.105
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No