Information card for entry 2201096

Structure parameters

• Chemical name: 1,6:3,4-di-anhydro-2-azido-2-deoxygalactopyranose
• Formula: C6 H7 N3 O3
• Calculated formula: C6 H7 N3 O3
• SMILES: [C@H]12[C@@H]([C@@H]3[C@H]([C@@H](CO2)O1)O3)N=N#N
• Title of publication: 1,6:3,4-Dianhydro-2-azido-2-deoxy-β-<small>D</small>-galactopyranose
• Authors of publication: Barnes, John C.; Brimacombe, John S.; Paterson, Michael J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 5
• Pages of publication: o573 - o574
• a: 5.9011 ± 0.0002 Å
• b: 7.2728 ± 0.0004 Å
• c: 17.1567 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 736.32 ± 0.06 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0491
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes