Information card for entry 4130314

Structure parameters

• Formula: C10 H8 F2 O2
• Calculated formula: C10 H8 F2 O2
• SMILES: Fc1cc(F)cc2[C@@H]3CCO[C@@H]3Oc12
• Title of publication: Palladium-Catalyzed Enantioselective Intermolecular Carboetherification of Dihydrofurans.
• Authors of publication: Borrajo-Calleja, Gustavo M; Bizet, Vincent; Mazet, Clément
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 12
• Pages of publication: 4014 - 4017
• a: 5.4814 ± 0.0012 Å
• b: 8.5363 ± 0.0017 Å
• c: 10.1397 ± 0.0017 Å
• α: 71.243 ± 0.016°
• β: 75.321 ± 0.016°
• γ: 76.523 ± 0.018°
• Cell volume: 428.59 ± 0.15 ų
• Cell temperature: 180.1 ± 0.2 K
• Ambient diffraction temperature: 180.1 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No