Information card for entry 7229018

Structure parameters

• Chemical name: azido acetate
• Formula: C22 H24 Cl3 N3 O5
• Calculated formula: C22 H24 Cl3 N3 O5
• SMILES: ClC(Cl)Cl.O([C@@H]1[C@H](OC[C@@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N=N#N)C(=O)C
• Title of publication: Conversion of glycals into vicinal-1,2-diazides and 1,2-(or 2,1)-azidoacetates using hypervalent iodine reagents and Me3SiN3. Application in the synthesis of N-glycopeptides, pseudo-trisaccharides and an iminosugar
• Authors of publication: Chennaiah, Ande; Bhowmick, Srijita; Vankar, Yashwant D.
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 66
• Pages of publication: 41755
• a: 9.8335 ± 0.0004 Å
• b: 14.0885 ± 0.0006 Å
• c: 17.7805 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2463.3 ± 0.19 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• 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: 0.0866
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.1616
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No