Information card for entry 7150840

Structure parameters

• Formula: C11 H15 N3 O4
• Calculated formula: C11 H15 N3 O4
• SMILES: [C@H]12[C@H]([C@H]3[C@H](Cn4c(CO3)cnn4)O1)OC(C)(C)O2
• Title of publication: Synthesis of 1,2,3-triazole and 1,2,3,4-tetrazole-fused glycosides and nucleosides by an intramolecular 1,3-dipolar cycloaddition reaction
• Authors of publication: Anegundi, Ramakrishna I.; Puranik, Vedavati G.; Hotha, Srinivas
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2008
• Journal volume: 6
• Journal issue: 4
• Pages of publication: 779 - 786
• a: 5.495 ± 0.001 Å
• b: 10.054 ± 0.002 Å
• c: 21.33 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1178.4 ± 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: 0.0686
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections included in the refinement: 0.0357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.541
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No