Information card for entry 2229630

Structure parameters

• Chemical name: 4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-D-galactopyranoside
• Formula: C21 H24 O11
• Calculated formula: C21 H24 O11
• SMILES: O1[C@@H]([C@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1Oc1ccc(cc1)C=O)COC(=O)C
• Title of publication: 4-Formylphenyl 2,3,4,6-tetra-<i>O</i>-acetyl-β-<small>D</small>-galactopyranoside
• Authors of publication: Hussen, Rusnah Syahila Duali; Heidelberg, Thorsten; Rodzi, Nasrul Zamani Mohd; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o826
• a: 11.8358 ± 0.0004 Å
• b: 5.6664 ± 0.0002 Å
• c: 17.5079 ± 0.0006 Å
• α: 90°
• β: 109.616 ± 0.004°
• γ: 90°
• Cell volume: 1106.05 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.04
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes