Information card for entry 2212157

Structure parameters

• Common name: 1,5-Anhydro-2,3-O-isopropylidene-L-lyxofuranose
• Chemical name: (1S,4S,5S,6R)-5,6-O-isopropylidene-2,7-dioxabicyclo[2.2.1]heptane-5,6-diol
• Formula: C8 H12 O4
• Calculated formula: C8 H12 O4
• SMILES: [C@H]12[C@H]3[C@@H]([C@H](CO1)O2)OC(O3)(C)C
• Title of publication: 1,5-Anhydro-2,3-<i>O</i>-isopropylidene-<small>L</small>-lyxofuranose [(1<i>S</i>,4<i>S</i>,5<i>S</i>,6<i>R</i>)-5,6-<i>O</i>-isopropylidene-2,7-dioxabicyclo[2.2.1]heptane-5,6-diol]
• Authors of publication: Simone, Michela; Fleet, George W. J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: o896 - o897
• a: 8.1279 ± 0.0003 Å
• b: 9.4993 ± 0.0004 Å
• c: 10.8126 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 834.83 ± 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: 0.0454
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for all reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0309
• Weighted residual factors for all reflections included in the refinement: 0.0309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1446
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes