Information card for entry 2207820

Structure parameters

• Chemical name: 2-C-Azidomethyl-2-deoxy-3,4-O-isopropylidene-D-ribono-1,5-lactone
• Formula: C9 H13 N3 O4
• Calculated formula: C9 H13 N3 O4
• SMILES: [C@H]12[C@H](C(=O)OC[C@H]1OC(O2)(C)C)CN=N#N
• Title of publication: 2-<i>C</i>-Azidomethyl-2-deoxy-3,4-<i>O</i>-isopropylidene-<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: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o321 - o323
• a: 6.6145 ± 0.0002 Å
• b: 11.1194 ± 0.0004 Å
• c: 15.0252 ± 0.0008 Å
• α: 90°
• β: 91.6306 ± 0.0013°
• γ: 90°
• Cell volume: 1104.65 ± 0.08 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 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: 0.0941
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections: 0.1288
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0765
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No