Information card for entry 2205020

Structure parameters

• Chemical name: 2-Azido-2-deoxy-3,4-O-isopropylidene-2-C-methyl-D-ribono-1,5-lactone
• Formula: C9 H13 N3 O4
• Calculated formula: C9 H13 N3 O4
• SMILES: [C@@]1([C@H]2[C@H](OC(O2)(C)C)COC1=O)(N=N#N)C
• Title of publication: 2-Azido-2-deoxy-3,4-<i>O</i>-isopropylidene-2-<i>C</i>-methyl-<small>D</small>-ribono-1,5-lactone
• Authors of publication: Punzo, Francesco; Watkin, David J.; Jenkinson, Sarah F.; da Cruz, Filipa P.; Fleet, George W. J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 2
• Pages of publication: o511 - o512
• a: 6.4862 ± 0.0001 Å
• b: 27.931 ± 0.0005 Å
• c: 6.4787 ± 0.0001 Å
• α: 90°
• β: 109.894 ± 0.0007°
• γ: 90°
• Cell volume: 1103.68 ± 0.03 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.063
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections: 0.1018
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes