Information card for entry 2200906

Structure parameters

• Chemical name: (2'R,3'R)-methyl 2-azido-2,6-dideoxy-3,4-O-(2',3'-dimethoxybutane- 2',3'-diyl)-α-L-glucopyranoside.
• Formula: C13 H23 N3 O6
• Calculated formula: C13 H23 N3 O6
• SMILES: [C@H]1(OC)[C@H]([C@@H]2O[C@](OC)(C)[C@@](O[C@H]2[C@@H](O1)C)(OC)C)N=N#N
• Title of publication: Methyl (2'<i>R</i>,3'<i>R</i>)-2-azido-2,6-dideoxy-3,4-<i>O</i>-(2',3'-dimethoxybutane-2',3'-diyl)-α-<small>L</small>-glucopyranoside
• Authors of publication: Barnes, John C.; Brimacombe, John S.; Connolly, Lisa M. C.; Dix, Alexander P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: o227 - o228
• a: 10.065 ± 0.004 Å
• b: 10.512 ± 0.016 Å
• c: 30.696 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3248 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0657
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.054
• Weighted residual factors for all reflections included in the refinement: 0.0583
• Goodness-of-fit parameter for all reflections included in the refinement: 0.723
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes