Information card for entry 4069243

Structure parameters

• Formula: C8 H6 F2 O2
• Calculated formula: C8 H6 F2 O2
• SMILES: C(=O)c1c(cc(cc1OC)F)F
• Title of publication: Selective Platinum-Catalyzed C−F Bond Activation as a Route to Fluorinated Aryl Methyl Ethers
• Authors of publication: Buckley, Heather L.; Wang, Tongen; Tran, Olivia; Love, Jennifer A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2356
• a: 13.825 ± 0.005 Å
• b: 7.234 ± 0.003 Å
• c: 14.469 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1447 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.098
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No