Information card for entry 4026464

Structure parameters

• Formula: C9 H13 N3 O5
• Calculated formula: C9 H13 N3 O5
• SMILES: O[C@H]1[C@@H]2OCc3n(nnc3)[C@H]2O[C@@H](CO)[C@H]1O
• Title of publication: Ceric Ammonium Nitrate-Catalyzed Azidation of 1,2-Anhydro Sugars: Application in the Synthesis of Structurally Diverse Sugar-Derived Morpholine 1,2,3-Triazoles and 1,4-Oxazin-2-ones
• Authors of publication: Y. Suman Reddy; A. P. John Pal; Preeti Gupta; Alafia A. Ansari; Yashwant D. Vankar
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 5972 - 5984
• a: 6.545 ± 0.003 Å
• b: 8.428 ± 0.004 Å
• c: 9.345 ± 0.004 Å
• α: 90°
• β: 94.64 ± 0.007°
• γ: 90°
• Cell volume: 513.8 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.0673
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1901
• Goodness-of-fit parameter for all reflections included in the refinement: 1.202
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No