Information card for entry 2226214

Structure parameters

• Common name: 6-deoxy-6-fluoro-D-galactitol and (2<i>S</i>,3<i>R</i>,4<i>R</i>,5<i>S</i>)-6-fluorohexane-1,2,3,4,5-pentaol
• Chemical name: 1-Deoxy-1-fluoro-L-galactitol
• Formula: C6 H13 F O5
• Calculated formula: C6 H13 F O5
• SMILES: FC[C@@H](O)[C@H](O)[C@H](O)[C@@H](O)CO
• Title of publication: 1-Deoxy-1-fluoro-<small>L</small>-galactitol
• Authors of publication: Jenkinson, Sarah F.; Best, Daniel; Izumori, Ken; Wilson, Francis X.; Weymouth-Wilson, Alexander C.; Fleet, George W. J.; Thompson, Amber L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1330
• a: 4.7968 ± 0.0003 Å
• b: 8.5957 ± 0.0005 Å
• c: 9.8194 ± 0.0007 Å
• α: 90°
• β: 103.233 ± 0.003°
• γ: 90°
• Cell volume: 394.12 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.053
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections: 0.0949
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes