Information card for entry 2234339

Structure parameters

• Chemical name: 4-(Dimethoxymethyl)phenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<i>D</i>-glucopyranoside
• Formula: C23 H30 O12
• Calculated formula: C23 H30 O12
• SMILES: [C@H]1([C@H]([C@@H]([C@H]([C@H](COC(=O)C)O1)OC(=O)C)OC(=O)C)OC(=O)C)Oc1ccc(cc1)C(OC)OC
• Title of publication: 4-(Dimethoxymethyl)phenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside
• Authors of publication: Zipp, Caitlin F.; Fernandes, Manuel; Marques, Helder M.; Michael, Joseph P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: o1202
• a: 7.9004 ± 0.0002 Å
• b: 10.9961 ± 0.0003 Å
• c: 29.2289 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2539.22 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0614
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes