Information card for entry 7156436

Structure parameters

• Formula: C11 H11 F O2
• Calculated formula: C11 H11 F O2
• Title of publication: Activation of the hypervalent fluoroiodane reagent by hydrogen bonding to hexafluoroisopropanol.
• Authors of publication: Minhas, Harsimran K.; Riley, William; Stuart, Alison M.; Urbonaite, Martyna
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2018
• Journal volume: 16
• Journal issue: 39
• Pages of publication: 7170 - 7173
• a: 5.605 ± 0.002 Å
• b: 7.129 ± 0.003 Å
• c: 24.013 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 959.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.1044
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No