Information card for entry 7223942

Structure parameters

• Formula: C18 H23 N3 O8 S
• Calculated formula: C18 H23 N3 O8 S
• SMILES: S(=O)(=O)(OC[C@@]1(O[C@@H]2OC(O[C@@H]2[C@H]1N=N#N)(C)C)COC(=O)C)c1ccc(C)cc1
• 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: 9.9041 ± 0.001 Å
• b: 10.0867 ± 0.0009 Å
• c: 10.6948 ± 0.0009 Å
• α: 90°
• β: 94.617 ± 0.008°
• γ: 90°
• Cell volume: 1064.94 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1647
• Goodness-of-fit parameter for all reflections included in the refinement: 0.839
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No