Information card for entry 2017051

Structure parameters

• Chemical name: 2,3-<i>O</i>-isopropylidene-α-L-sorbofuranose
• Formula: C9 H16 O6
• Calculated formula: C9 H16 O6
• SMILES: OC[C@@]12OC(O[C@H]2[C@H](O)[C@@H](O1)CO)(C)C
• Title of publication: 2,3:4,6-Di-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose and 2,3-<i>O</i>-isopropylidene-α-<small>L</small>-sorbofuranose
• Authors of publication: Langer, Vratislav; Steiner, Bohumil; Koóš, Miroslav
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o151 - o154
• a: 6.7321 ± 0.0003 Å
• b: 9.1945 ± 0.0005 Å
• c: 17.0658 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1056.34 ± 0.09 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 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: 0.0369
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes