Information card for entry 4131119

Structure parameters

• Formula: C11 H11 F O3
• Calculated formula: C11 H11 F O3
• SMILES: C1(=O)c2ccccc2[C@@H]([C@H](COC)O1)F
• Title of publication: Enantioselective, Catalytic Fluorolactonization Reactions with a Nucleophilic Fluoride Source.
• Authors of publication: Woerly, Eric M.; Banik, Steven M.; Jacobsen, Eric N.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 42
• Pages of publication: 13858 - 13861
• a: 4.5174 ± 0.0002 Å
• b: 6.8284 ± 0.0004 Å
• c: 15.9328 ± 0.0008 Å
• α: 90°
• β: 92.4936 ± 0.0017°
• γ: 90°
• Cell volume: 491.01 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0338
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No