Information card for entry 2204561

Structure parameters

• Chemical name: 2,2:5,6-Di-O-isopropylidene-2-C-hydroxymethyl-D-glucono-1,4-lactone
• Formula: C19 H34 O7 Si
• Calculated formula: C19 H34 O7 Si
• SMILES: C1(=O)[C@]2([C@H]([C@@H]([C@H]3COC(O3)(C)C)O1)O[Si](C)(C)C(C)(C)C)COC(O2)(C)C
• Title of publication: 3-<i>O</i>-<i>tert</i>-Butyldimethylsilyl-2,2':5,6-di-<i>O</i>-isopropylidene-2-<i>C</i>-hydroxymethyl-<small>D</small>-1,4-gluconolactone
• Authors of publication: Cowley, Andrew R.; Fleet, George W. J.; Iezzi Simone, Michela; Soengas, Raquel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2142 - o2143
• a: 6.4765 ± 0.0002 Å
• b: 13.2189 ± 0.0002 Å
• c: 25.7075 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2200.88 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• 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: 0.048
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for all reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No