Information card for entry 1565315

Structure parameters

• Formula: C27 H20 F9 N O
• Calculated formula: C27 H20 F9 N O
• SMILES: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@@](C)(c1ccccc1)[C@]1(C(=O)Nc2c1cccc2)c1ccccc1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C[C@](C)(c1ccccc1)[C@@]1(C(=O)Nc2c1cccc2)c1ccccc1
• Title of publication: Construction of sterically congested oxindole derivatives via visible-light-induced radical-coupling
• Authors of publication: Shen, Yanling; Lei, Ning; Lu, Cong; Xi, Dailin; Geng, Xinxin; Tao, Pan; Su, Zhishan; Zheng, Ke
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 9.4206 ± 0.0004 Å
• b: 13.3798 ± 0.0005 Å
• c: 19.6176 ± 0.0008 Å
• α: 90°
• β: 100.915 ± 0.002°
• γ: 90°
• Cell volume: 2427.98 ± 0.17 ų
• Cell temperature: 151 ± 2 K
• Ambient diffraction temperature: 151 ± 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: 0.0452
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1011
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No