Information card for entry 1504198

Structure parameters

• Formula: C22 H27 N O7
• Calculated formula: C22 H27 N O7
• SMILES: c1cc(ccc1OC)N1[C@@]([C@H](C1=O)O[C@@H]1[C@H]([C@H]2[C@@H]([C@H](C)O1)OC(C)(C)O2)O)(C#C)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: 7.715 ± 0.003 Å
• b: 15.086 ± 0.005 Å
• c: 9.295 ± 0.003 Å
• α: 90°
• β: 96.54 ± 0.03°
• γ: 90°
• Cell volume: 1074.8 ± 0.7 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: 0.0403
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No