Information card for entry 1514291

Structure parameters

• Formula: C11 H10 F2 O2
• Calculated formula: C11 H10 F2 O2
• SMILES: Fc1c(/C=C/C(=O)O)ccc(c1F)CC
• Title of publication: Regioselective alkyl transfer from phosphonium ylides to functionalized polyfluoroarenes
• Authors of publication: Lu, Wei; Gao, Juan; Yang, Jing-Kui; Liu, Lei; Zhao, Yuliang; Wu, Hai-Chen
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 5
• Pages of publication: 1934
• a: 4.865 ± 0.001 Å
• b: 7.057 ± 0.0014 Å
• c: 15.151 ± 0.003 Å
• α: 88.73 ± 0.03°
• β: 84.04 ± 0.03°
• γ: 82.71 ± 0.03°
• Cell volume: 513.15 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.159
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.2356
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No