Information card for entry 1505420

Structure parameters

• Formula: C31 H34 F2 O7
• Calculated formula: C31 H34 F2 O7
• SMILES: FC(F)(C(=O)OCC)[C@H]1O[C@@H]([C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O)COCc1ccccc1
• Title of publication: Addition of difluoromethyl radicals to glycals: a new route to alpha-CF2-D-glycosides.
• Authors of publication: Moreno, Benjamin; Quehen, Cindy; Rose-Hélène, Maureen; Leclerc, Eric; Quirion, Jean-Charles
• Journal of publication: Organic letters
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 13
• Pages of publication: 2477 - 2480
• a: 9.848 ± 0.0007 Å
• b: 9.704 ± 0.0007 Å
• c: 30.58 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2922.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0604
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No