Information card for entry 2006212

Structure parameters

• Formula: C51 H50 N2 O20
• Calculated formula: C51 H50 N2 O20
• SMILES: O([C@@H]1O[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@@H](OC(=O)C)[C@H](OC(=O)C)[C@H]2N2C(=O)c3ccccc3C2=O)COC(=O)C)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1)COC(=O)C(C)(C)C)c1ccc(N(=O)=O)cc1
• Title of publication: 2,3-Di-<i>O</i>-benzoyl-1-<i>O</i>-<i>p</i>-nitrophenyl-6-<i>O</i>-pivaloyl-4-<i>O</i>-(3',4',6'-tri-<i>O</i>-acetyl-2'-deoxy-2'-<i>N</i>-phthalimido-β-<small>D</small>-1'-glucopyranosyl)-β-<small>D</small>-glucopyranose
• Authors of publication: Abboud, Khalil A.; Toporek, Stan S.; Horenstein, Benjamin A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 6
• Pages of publication: 742 - 744
• a: 7.0923 ± 0.0002 Å
• b: 23.1347 ± 0.0005 Å
• c: 15.1181 ± 0.0003 Å
• α: 90°
• β: 94.297 ± 0.001°
• γ: 90°
• Cell volume: 2473.58 ± 0.1 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: 0.0602
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.1201
• Weighted residual factors for significantly intense reflections: 0.1028
• Goodness-of-fit parameter for all reflections: 1.044
• Goodness-of-fit parameter for significantly intense reflections: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No