Information card for entry 2213980

Structure parameters

• Chemical name: Benzyl 2-deoxy-2-(3,5-ditert-butylsalicylamino)-α-D-glucopyranoside
• Formula: C28 H41 N O6
• Calculated formula: C28 H41 N O6
• SMILES: N([C@H]1[C@H](O[C@@H]([C@@H](O)[C@@H]1O)CO)OCc1ccccc1)Cc1cc(cc(c1O)C(C)(C)C)C(C)(C)C
• Title of publication: Benzyl 2-deoxy-2-(3,5-di-<i>tert</i>-butylsalicylamino)-α-<small>D</small>-glucopyranoside
• Authors of publication: Burkhardt, Anja; Buchholz, Axel; Görls, Helmar; Plass, Winfried
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 6
• Pages of publication: o2994 - o2996
• a: 5.994 ± 0.0012 Å
• b: 15.342 ± 0.003 Å
• c: 29.361 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2700 ± 0.9 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 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: 0.0947
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes