Information card for entry 2209592

Structure parameters

• Chemical name: Methyl 2,3-amino-3-N,4-O-carbonyl-2,3-N-cyclo-2,3,6-trideoxy-α-L- allopyranoside
• Formula: C8 H11 N O4
• Calculated formula: C8 H11 N O4
• SMILES: O1[C@@H](OC)[C@H]2N3[C@H]2[C@@H](OC3=O)[C@@H]1C
• Title of publication: Methyl 2,3-amino-3-<i>N</i>,4-<i>O</i>-carbonyl-2,3-<i>N</i>-<i>cyclo</i>-2,3,6-trideoxy-α-<small>L</small>-allopyranoside
• Authors of publication: Mendlik, Matthew T.; Coleman, Robert S.; Qi, Guizhong; Lowary, Todd L.; Ferguson, Michael J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2576 - o2577
• a: 6.3749 ± 0.0005 Å
• b: 9.9173 ± 0.0007 Å
• c: 13.601 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 859.88 ± 0.11 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0336
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0881
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes