Information card for entry 4031062

Structure parameters

• Formula: C28 H33 N3 O7
• Calculated formula: C28 H33 N3 O7
• SMILES: O1[C@@H]([C@H](OCc2ccccc2)[C@H]2OC(O[C@@H]12)(C)C)[C@H](n1nnc(c1)[C@@H](c1ccccc1)O)CC(=O)OCC
• 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: 10.7814 ± 0.001 Å
• b: 10.1234 ± 0.0008 Å
• c: 26.655 ± 0.003 Å
• α: 90°
• β: 90.485 ± 0.01°
• γ: 90°
• Cell volume: 2909.1 ± 0.5 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: 0.2651
• Residual factor for significantly intense reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.2027
• Weighted residual factors for all reflections included in the refinement: 0.2498
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No