Information card for entry 1504200

Structure parameters

• Formula: C22 H35 N O11
• Calculated formula: C22 H35 N O11
• SMILES: [C@H]1(C)[C@H]([C@H]([C@@H]([C@H](O1)O[C@@H]1[C@@](C)(C[C@H](O[C@H]1C)OC)NC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
• Title of publication: Brønsted acid-promoted glycosylations of disaccharide glycal substructures of the saccharomicins.
• Authors of publication: Balthaser, Bradley R.; McDonald, Frank E.
• Journal of publication: Organic letters
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 21
• Pages of publication: 4850 - 4853
• a: 8.1737 ± 0.0007 Å
• b: 10.9997 ± 0.0008 Å
• c: 29.222 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2627.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No