Information card for entry 7155423

Structure parameters

• Formula: C25 H16 F16 N2 O2
• Calculated formula: C25 H16 F16 N2 O2
• Title of publication: C-F bond activation of perfluorinated arenes by a bioxazoline-derived N-heterocyclic carbene.
• Authors of publication: Emerson-King, Jack; Hauser, Simone A.; Chaplin, Adrian B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 4
• Pages of publication: 787 - 789
• a: 14.4101 ± 0.0002 Å
• b: 11.66149 ± 0.00018 Å
• c: 15.7982 ± 0.0002 Å
• α: 90°
• β: 105.348 ± 0.0016°
• γ: 90°
• Cell volume: 2560.1 ± 0.07 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: 0.0589
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No