Information card for entry 2202443

Structure parameters

• Chemical name: isopropyl 6-amino-2,5-anhydro-3,6-dideoxy-6-N-(2,5-anhydro-6- azido-3,6-dideoxy-L-arabino-hexonyl)-L-arabino-hexonate
• Formula: C15 H24 N4 O7
• Calculated formula: C15 H24 N4 O7
• SMILES: N#N=NC[C@@H]1O[C@@H](C(=O)NC[C@@H]2O[C@@H](C(=O)OC(C)C)C[C@H]2O)C[C@H]1O
• Title of publication: Isopropyl 6-amino-2,5-anhydro-3,6-dideoxy-6-<i>N</i>-(2,5-anhydro-6-azido-3,6-dideoxy-<small>L</small>-<i>arabino</i>-hexonyl)-<small>L</small>-<i>arabino</i>-hexonate
• Authors of publication: Cooper, Richard I.; Edwards, Alison, A.; Fleet, George W. J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 11
• Pages of publication: o1712 - o1714
• a: 9.7238 ± 0.0003 Å
• b: 5.6312 ± 0.0002 Å
• c: 16.2836 ± 0.0005 Å
• α: 90°
• β: 92.0137 ± 0.0014°
• γ: 90°
• Cell volume: 891.08 ± 0.05 ų
• Cell temperature: 190 K
• Ambient diffraction temperature: 190 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: 0.0542
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for all reflections: 0.1059
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9472
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes