Information card for entry 7150554

Structure parameters

• Formula: C7 H9 F O2
• Calculated formula: C7 H9 F O2
• SMILES: FC/C=C/C=C/C(=O)OC
• Title of publication: Developing an asymmetric, stereodivergent route to selected 6-deoxy-6-fluoro-hexoses.
• Authors of publication: Caravano, Audrey; Field, Robert A; Percy, Jonathan M; Rinaudo, Giuseppe; Roig, Ricard; Singh, Kuldip
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2009
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 996 - 1008
• a: 8.4625 ± 0.0016 Å
• b: 8.0276 ± 0.0016 Å
• c: 21.142 ± 0.004 Å
• α: 90°
• β: 90.378 ± 0.005°
• γ: 90°
• Cell volume: 1436.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0535
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1063
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No