Information card for entry 1556847

Structure parameters

• Formula: C7 H10 F6 O3
• Calculated formula: C7 H10 F6 O3
• SMILES: FC(F)(F)[C@H](O)CC(O)C[C@@H](O)C(F)(F)F
• Title of publication: Development of copper-catalyzed enantioselective decarboxylative aldolization for the preparation of perfluorinated 1,3,5-triols featuring supramolecular recognition properties.
• Authors of publication: Sperandio, Céline; Rodriguez, Jean; Quintard, Adrien
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 6
• Pages of publication: 1629 - 1635
• a: 4.9029 ± 0.0001 Å
• b: 9.8824 ± 0.0002 Å
• c: 10.7838 ± 0.0003 Å
• α: 90°
• β: 100.543 ± 0.003°
• γ: 90°
• Cell volume: 513.68 ± 0.02 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0327
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No