Information card for entry 2231081

Structure parameters

• Common name: Methyl 6-azido-6-deoxy-α-D-galactoside
• Formula: C7 H13 N3 O5
• Calculated formula: C7 H13 N3 O5
• SMILES: O([C@H]1O[C@@H]([C@H](O)[C@H](O)[C@H]1O)CN=N#N)C
• Title of publication: Methyl 6-azido-6-deoxy-α-<small>D</small>-galactoside
• Authors of publication: Cheng, Janice M. H.; Gulab, Shivali A.; Timmer, Mattie S. M.; Stocker, Bridget L.; Gainsford, Graeme J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1941 - o1942
• a: 5.8272 ± 0.0005 Å
• b: 7.8358 ± 0.0006 Å
• c: 11.0387 ± 0.001 Å
• α: 90°
• β: 102.117 ± 0.007°
• γ: 90°
• Cell volume: 492.81 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0498
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes