Information card for entry 7150000

Structure parameters

• Formula: C22 H31 N O15
• Calculated formula: C22 H31 N O15
• 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)O[C@H]1[C@@H]([C@H](C[C@H](C1)O)C(=O)OC)N(=O)=O
• Title of publication: Studies related to carba-pyranoses: synthesis of acetylated derivatives of 4-amino-2,4-dideoxy-3-O-(beta-D-glucopyranosyl)-beta-L-(and beta-D-) altrocarba-pyranose from a D-glucose template.
• Authors of publication: Pritchard, Robin G.; Stoodley, Richard J.; Yuen, Wai-Hung
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2005
• Journal volume: 3
• Journal issue: 1
• Pages of publication: 162 - 171
• a: 5.773 ± 0.001 Å
• b: 22.641 ± 0.003 Å
• c: 10.86 ± 0.02 Å
• α: 90°
• β: 105.38 ± 0.002°
• γ: 90°
• Cell volume: 1369 ± 3 ų
• Cell temperature: 293 ± 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: 0.1852
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No