Information card for entry 4131120

Structure parameters

• Formula: C10 H9 F O2
• Calculated formula: C10 H9 F O2
• SMILES: C1(=O)c2ccccc2[C@@H]([C@H](C)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: 4.486 ± 0.0002 Å
• b: 6.8678 ± 0.0003 Å
• c: 27.2439 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 839.36 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0258
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No