Information card for entry 2225051

Structure parameters

• Chemical name: 3,4-<i>O</i>-Isopropylidene-2-<i>C</i>-methyl-D-galactonolactone
• Formula: C10 H16 O6
• Calculated formula: C10 H16 O6
• SMILES: OC[C@H]1OC(=O)[C@@](O)(C)[C@@H]2[C@H]1OC(O2)(C)C
• Title of publication: 3,4-<i>O</i>-Isopropylidene-2-<i>C</i>-methyl-<small>D</small>-galactonolactone
• Authors of publication: Dai, N.; Jenkinson, S. F.; Fleet, G. W. J.; Watkin, D. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o406 - o407
• a: 6.0553 ± 0.0002 Å
• b: 11.3612 ± 0.0004 Å
• c: 8.2946 ± 0.0003 Å
• α: 90°
• β: 105.085 ± 0.0014°
• γ: 90°
• Cell volume: 550.97 ± 0.03 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for all reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes