Information card for entry 7151254

Structure parameters

• Formula: C13 H26 N2 O6
• Calculated formula: C13 H26 N2 O6
• SMILES: O1[C@H](OC)[C@@H](O)[C@H](NCCN2CCOCC2)[C@H](O)[C@H]1CO
• Title of publication: Synthesis, glycosidase activity and X-ray crystallography of 3-amino-sugars.
• Authors of publication: Maxwell, Vanessa L.; Evinson, Emma L.; Emmerson, Daniel P. G.; Jenkins, Paul R.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2006
• Journal volume: 4
• Journal issue: 14
• Pages of publication: 2724 - 2732
• a: 10.289 ± 0.0001 Å
• b: 20.1092 ± 0.0002 Å
• c: 7.4282 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1536.92 ± 0.09 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0346
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No