Information card for entry 7223943

Structure parameters

• Formula: C10 H11 N5 O5
• Calculated formula: C10 H11 N5 O5
• SMILES: O=C1NC(=O)N([C@H]2O[C@@]3(CO[C@H]2[C@@H]3N=N#N)CO)C=C1
• Title of publication: Synthesis of 3′-azido/-amino-xylobicyclonucleosides
• Authors of publication: Kumar, Manish; Kumar, Rajesh; rana, neha; Prasad, Ashok K.
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 6.5121 ± 0.0016 Å
• b: 6.8206 ± 0.0014 Å
• c: 13.045 ± 0.004 Å
• α: 90°
• β: 93.72 ± 0.03°
• γ: 90°
• Cell volume: 578.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0867
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1776
• Weighted residual factors for all reflections included in the refinement: 0.2016
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No