Information card for entry 2211798

Structure parameters

• Chemical name: 4-Nitrophenyl tetra-O-acetyl-β-D-glucopyranoside
• Formula: C20 H23 N O12
• Calculated formula: C20 H23 N 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)N(=O)=O
• Title of publication: 4-Nitrophenyl tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside
• Authors of publication: Brito-Arias, Marco; Cruz-Salazar, Diana; Molins, Elies
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o359 - o360
• a: 5.7832 ± 0.001 Å
• b: 16.204 ± 0.003 Å
• c: 12.7389 ± 0.0016 Å
• α: 90°
• β: 100.044 ± 0.012°
• γ: 90°
• Cell volume: 1175.5 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes