Information card for entry 4031059

Structure parameters

• Formula: C19 H25 N3 O6
• Calculated formula: C19 H25 N3 O6
• SMILES: O1C(O[C@H]2O[C@@H]([C@H](OCc3ccccc3)[C@@H]12)[C@H](N=N#N)CC(=O)OCC)(C)C
• Title of publication: One-Pot Synthesis of Glycosyl-β-azido Ester via Diazotransfer Reaction Toward Access of Glycosyl-β-triazolyl Ester.
• Authors of publication: Mishra, Amrita; Tiwari, Vinod K.
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2015
• Journal volume: 80
• Journal issue: 10
• Pages of publication: 4869 - 4881
• a: 5.283 ± 0.0012 Å
• b: 10.535 ± 0.003 Å
• c: 18.544 ± 0.004 Å
• α: 84.255 ± 0.018°
• β: 85.865 ± 0.017°
• γ: 89.552 ± 0.019°
• Cell volume: 1024.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1572
• Residual factor for significantly intense reflections: 0.0813
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No