Information card for entry 2220859

Structure parameters

• Chemical name: 7-Azido-<i>N</i>,<i>N</i>-diethyl-4,5-<i>O</i>-isopropylidene-4-<i>C</i>- methyl-3,6-anhydro-7-deoxy-D-<i>glycero</i>-<i>D</i>-<i>manno</i>-heptonamide
• Formula: C15 H26 N4 O5
• Calculated formula: C15 H26 N4 O5
• SMILES: O1[C@@H]([C@@]2(OC(O[C@@H]2[C@H]1CN=N#N)(C)C)C)[C@H](O)C(=O)N(CC)CC
• Title of publication: 7-Azido-<i>N</i>,<i>N</i>-diethyl-4,5-<i>O</i>-isopropylidene-4-<i>C</i>-methyl-3,6-anhydro-7-deoxy-<small>D</small>-<i>glycero</i>-<small>D</small>-<i>manno</i>-heptonamide
• Authors of publication: Jenkinson, Sarah F.; Wang, Chen; Pino-González, Maria-Soledad; Fleet, George W. J.; Watkin, David J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 2
• Pages of publication: o263
• a: 8.644 ± 0.0001 Å
• b: 13.4195 ± 0.0002 Å
• c: 15.9146 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1846.06 ± 0.05 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: 0.0545
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections: 0.1396
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1292
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes