Information card for entry 2014027

Structure parameters

• Formula: C12 H13 N3 O5
• Calculated formula: C12 H13 N3 O5
• SMILES: n1(ncc2c(N(=O)=O)cccc12)[C@H]1C[C@H](O)[C@H](O1)CO
• Title of publication: 1-(2-Deoxy-β-<small>D</small>-<i>erythro</i>-pentofuranosyl)-4-nitro-1<i>H</i>-indazole
• Authors of publication: Seela, Frank; Jawalekar, Anup M.; Eickmeier, Henning
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 6
• Pages of publication: o387 - o389
• a: 6.7444 ± 0.0012 Å
• b: 11.718 ± 0.003 Å
• c: 15.734 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1243.5 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0413
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes