Information card for entry 7151848

Structure parameters

• Formula: C16 H14 F2 O4
• Calculated formula: C16 H14 F2 O4
• SMILES: c1(ccc(cc1)OC(=C(F)\Oc1ccc(cc1)OC)\F)OC
• Title of publication: Synthesis of internal fluorinated alkenes via facile aryloxylation of substituted phenols with aryl trifluorovinyl ethers
• Authors of publication: Moody, Justin D.; VanDerveer, Don; Smith Jr., Dennis W.; Iacono, Scott T.
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 4842
• a: 10.434 ± 0.002 Å
• b: 7.7903 ± 0.0016 Å
• c: 17.852 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1451.1 ± 0.5 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1011
• Residual factor for significantly intense reflections: 0.0875
• Weighted residual factors for significantly intense reflections: 0.2396
• Weighted residual factors for all reflections included in the refinement: 0.2567
• 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