Information card for entry 4033759

Structure parameters

• Formula: C14 H8 F N O3
• Calculated formula: C14 H8 F N O3
• SMILES: C1(=O)c2ccccc2C(=O)N1c1c(cc(cc1)F)O
• Title of publication: Ru-Catalyzed Selective C-H Bond Hydroxylation of Cyclic Imides.
• Authors of publication: Yuan, Yu-Chao; Bruneau, Christian; Dorcet, Vincent; Roisnel, Thierry; Gramage-Doria, Rafael
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 4
• Pages of publication: 1898 - 1907
• a: 11.3002 ± 0.0013 Å
• b: 7.7195 ± 0.0011 Å
• c: 13.2835 ± 0.0018 Å
• α: 90°
• β: 104.288 ± 0.005°
• γ: 90°
• Cell volume: 1122.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No