Information card for entry 7112827

Structure parameters

• Formula: C6 H9 F3 O3
• Calculated formula: C6 H9 F3 O3
• SMILES: O1[C@@H](O)[C@H](F)[C@@H](F)[C@H](F)[C@H]1CO
• Title of publication: Fluorosugars: synthesis of the 2,3,4-trideoxy-2,3,4-trifluoro hexose analogues of D-glucose and D-altrose and assessment of their erythrocyte transmembrane transport.
• Authors of publication: Bresciani, Stefano; Lebl, Tomas; Slawin, Alexandra M. Z.; O'Hagan, David
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 30
• Pages of publication: 5434 - 5436
• a: 5.507 ± 0.003 Å
• b: 7.525 ± 0.004 Å
• c: 18.773 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 778 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.1892
• Residual factor for significantly intense reflections: 0.1567
• Weighted residual factors for significantly intense reflections: 0.35
• Weighted residual factors for all reflections included in the refinement: 0.3752
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No