Information card for entry 4031061

Structure parameters

• Formula: C18 H23 N3 O6
• Calculated formula: C18 H23 N3 O6
• SMILES: O1[C@H]([C@@H](N=N#N)CC(=O)OC)[C@H](OCc2ccccc2)[C@H]2OC(O[C@@H]12)(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: 5.4242 ± 0.0013 Å
• b: 15.518 ± 0.005 Å
• c: 23.693 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1994.3 ± 0.9 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: 0.2514
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No