Information card for entry 2005863

Structure parameters

• Formula: C20 H23 N O12
• Calculated formula: C20 H23 N O12
• SMILES: O([C@@H]1O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C)c1ccc(N(=O)=O)cc1
• Title of publication: <i>p</i>-Nitrophenyl 2,3,4,6-Tetra-<i>O</i>-acetyl-β-<small>D</small>-glucopyranoside
• Authors of publication: Abboud, K. A.; Toporek, S. S.; Horenstein, B. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 118 - 120
• a: 5.592 ± 0.0001 Å
• b: 21.3403 ± 0.0005 Å
• c: 9.7192 ± 0.0002 Å
• α: 90°
• β: 96.197 ± 0.001°
• γ: 90°
• Cell volume: 1153.06 ± 0.04 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0383
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections: 0.0909
• Weighted residual factors for significantly intense reflections: 0.0846
• Goodness-of-fit parameter for all reflections: 1.124
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No