Information card for entry 2214782

Structure parameters

• Chemical name: 2-<i>C</i>-Hydroxymethyl-2,3-<i>O</i>-isopropylidene-3-<i>C</i>-methyl- β-L-erythrose
• Formula: C9 H16 O5
• Calculated formula: C9 H16 O5
• SMILES: [C@]12([C@@](OC(O1)(C)C)(CO[C@@H]2O)C)CO
• Title of publication: 2-<i>C</i>-Hydroxymethyl-2,3-<i>O</i>-isopropylidene-3-<i>C</i>-methyl-β-<small>L</small>-erythrose
• Authors of publication: Booth, Kathrine V.; Jenkinson, Sarah F.; Watkin, David J.; Fleet, George W. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: o3386 - o3386
• a: 6.284 ± 0.0002 Å
• b: 11.2043 ± 0.0003 Å
• c: 14.1345 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 995.18 ± 0.05 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: 0.0373
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9412
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes