Information card for entry 2204176

Structure parameters

• Chemical name: Methyl 2,4-anhydro-5-azido-5,6-dideoxy-L-altronate
• Formula: C7 H11 N3 O4
• Calculated formula: C7 H11 N3 O4
• SMILES: O(C(=O)[C@@H]1O[C@H]([C@@H]1O)[C@@H](N=N#N)C)C
• Title of publication: Methyl 2,4-anhydro-5-azido-5,6-dideoxy-<small>L</small>-altronate
• Authors of publication: Watkin, David J.; Johnson, Stephen W.; Jones, John H.; Fleet, George W. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1609 - o1610
• a: 4.6318 ± 0.0002 Å
• b: 9.8575 ± 0.0005 Å
• c: 10.631 ± 0.0006 Å
• α: 90°
• β: 92.084 ± 0.002°
• γ: 90°
• Cell volume: 485.07 ± 0.04 ų
• Cell temperature: 185 K
• Ambient diffraction temperature: 185 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: 0.0506
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for all reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes