Information card for entry 2200543

Structure parameters

• Chemical name: [3E]-3-deoxy-3-C-ethoxycarbonylmethylene-1,2:5,6-di-O-isopropylidene- α-D-ribohexofuranose
• Formula: C16 H24 O7
• Calculated formula: C16 H24 O7
• SMILES: O1[C@H]2O[C@@H](C(=C/C(=O)OCC)/[C@H]2OC1(C)C)[C@@H]1OC(OC1)(C)C
• Title of publication: [3E]-3-Deoxy-3-<i>C</i>-ethoxycarbonylmethylene-1,2:5,6-di-<i>O</i>-isopropylidene-α-<small>D</small>-ribohexofuranose
• Authors of publication: Linden, Anthony; Lee, C. Kuan; Siew, Kum Fong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 7
• Pages of publication: o594 - o595
• a: 5.929 ± 0.002 Å
• b: 14.133 ± 0.002 Å
• c: 10.3892 ± 0.0012 Å
• α: 90°
• β: 95.065 ± 0.016°
• γ: 90°
• Cell volume: 867.2 ± 0.3 ų
• Cell temperature: 273 ± 1 K
• Ambient diffraction temperature: 273 ± 1 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: 0.1424
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.2001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes