Information card for entry 7150331

Structure parameters

• Formula: C8 H14 F2 O5
• Calculated formula: C8 H14 F2 O5
• SMILES: FC1(F)[C@H](O)[C@H](O)[C@H](O[C@H]1CO)OCC.FC1(F)[C@@H](O)[C@@H](O)[C@@H](O[C@@H]1CO)OCC
• Title of publication: Synthesis of 4,4-difluoroglycosides using ring-closing metathesis.
• Authors of publication: Audouard, Christophe; Fawcett, John; Griffiths, Gerry A.; Percy, Jonathan M.; Pintat, Stéphane; Smith, Clive A.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 4
• Pages of publication: 528 - 541
• a: 6.9777 ± 0.0008 Å
• b: 8.3569 ± 0.001 Å
• c: 9.3808 ± 0.0011 Å
• α: 82.847 ± 0.002°
• β: 71.23 ± 0.002°
• γ: 77.901 ± 0.002°
• Cell volume: 505.45 ± 0.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0359
• Residual factor for significantly intense reflections: 0.0334
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No