Information card for entry 7155928

Structure parameters

• Formula: C23 H15 F N2 O3
• Calculated formula: C23 H15 F N2 O3
• SMILES: c1(ccc(c2c1cccn2)NC(=O)c1ccccc1F)OC(=O)c1ccccc1
• Title of publication: Iron (III)-catalyzed chelation assisted remote C-H bond oxygenation of 8-amidoquinolines.
• Authors of publication: Malapaka, Chandrasekharam; Botla, Vinayak; Navyasree, Pilli
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 8.1396 ± 0.0011 Å
• b: 9.5365 ± 0.0013 Å
• c: 13.2564 ± 0.0018 Å
• α: 108.241 ± 0.002°
• β: 99.899 ± 0.002°
• γ: 103.051 ± 0.002°
• Cell volume: 918.7 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0778
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.129
• Weighted residual factors for all reflections included in the refinement: 0.1385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No