Information card for entry 2225926

Structure parameters

• Chemical name: 2-Azido-2-deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-D-talono-1,5-\ lactone
• Formula: C10 H15 N3 O5
• Calculated formula: C10 H15 N3 O5
• SMILES: O1C(O[C@@H]2[C@H]1[C@](N=N#N)(C(=O)O[C@@H]2CO)C)(C)C
• Title of publication: 2-Azido-2-deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-<small>D</small>-talono-1,5-lactone
• Authors of publication: Jenkinson, Sarah F.; Dai, Ni; Fleet, George W. J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 5
• Pages of publication: o1221 - o1222
• a: 5.9481 ± 0.0003 Å
• b: 13.3427 ± 0.0007 Å
• c: 15.6351 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1240.86 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.069
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections: 0.0871
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8754
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes