Information card for entry 2213448

Structure parameters

• Common name: 1-Deoxy-3,4-<i>O</i>-isopropylidene-4-<i>C</i>-hydroxymethyl-β-L-ribulofuranose
• Chemical name: (2R,3S,4S)-4-(hydroxymethyl)-3,4-<i>O</i>-isopropylidene-2- methyltetrahydrofuran-2,3,4-triol
• Formula: C9 H16 O5
• Calculated formula: C9 H16 O5
• SMILES: [C@]12([C@@H]([C@](OC1)(O)C)OC(O2)(C)C)CO
• Title of publication: 1-Deoxy-4-<i>C</i>-hydroxymethyl-3,4-<i>O</i>-isopropylidene-β-<small>L</small>-ribulofuranose [(2<i>R</i>,3<i>S</i>,4<i>S</i>)-4-(hydroxymethyl)-3,4-<i>O</i>-isopropylidene-2-methyltetrahydrofuran-2,3,4-triol]
• Authors of publication: Best, Daniel; Jenkinson, Sarah F.; Kathrine V. Booth; Fleet, George W. J.; David J. Watkin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 5
• Pages of publication: o2165 - o2167
• a: 6.2405 ± 0.0002 Å
• b: 10.8088 ± 0.0003 Å
• c: 14.9369 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1007.53 ± 0.06 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• 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: 0.0448
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for all reflections: 0.1057
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8429
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes