Information card for entry 7151255

Structure parameters

• Formula: C12 H19 N O6
• Calculated formula: C12 H19 N O6
• SMILES: N([C@@H]1[C@@H](O)[C@@H](OC)O[C@@H]([C@H]1O)CO)Cc1occc1
• 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: 9.8736 ± 0.0013 Å
• b: 6.0745 ± 0.0008 Å
• c: 11.7121 ± 0.0016 Å
• α: 90°
• β: 111.941 ± 0.002°
• γ: 90°
• Cell volume: 651.58 ± 0.15 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0365
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No