Information card for entry 2004435

Structure parameters

• Chemical name: 1,2:5,6-di-O-isopropylidene-3-O-methacryloyl-a-D-glucofuranose
• Formula: C16 H24 O7
• Calculated formula: C16 H24 O7
• SMILES: O=C(C(=C)C)O[C@H]1[C@H](O[C@H]2[C@@H]1OC(O2)(C)C)[C@H]1COC(O1)(C)C
• Title of publication: Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranose
• Authors of publication: Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 155 - 158
• a: 7.275 ± 0.002 Å
• b: 8.945 ± 0.002 Å
• c: 13.486 ± 0.002 Å
• α: 90°
• β: 97.148 ± 0.015°
• γ: 90°
• Cell volume: 870.8 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0414
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for all reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.0949
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No