Information card for entry 2231613

Structure parameters

• Chemical name: 6-Deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-L-galactono-1,5-lactone
• Formula: C10 H16 O5
• Calculated formula: C10 H16 O5
• SMILES: O=C1O[C@H]([C@H]2OC(O[C@H]2[C@@]1(O)C)(C)C)C
• Title of publication: 6-Deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-<small>L</small>-galactono-1,5-lactone
• Authors of publication: Jenkinson, Sarah F.; Parry, Loren L.; Wilson, Francis X.; Fleet, George W. J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2531 - o2532
• a: 6.1132 ± 0.0002 Å
• b: 12.2963 ± 0.0004 Å
• c: 14.6367 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1100.24 ± 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: 0.0566
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections: 0.0895
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes