Information card for entry 4025445

Structure parameters

• Common name: 2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl_azide
• Chemical name: 2,3,4,6-tetra-<i>O</i>-acetyl-<i>β</i>-D-glucopyranosyl azide
• Formula: C14 H19 N3 O9
• Calculated formula: C14 H19 N3 O9
• SMILES: O(C(=O)C)[C@@H]1[C@H](O[C@@H](N=N#N)[C@H](OC(=O)C)[C@H]1OC(=O)C)COC(=O)C
• Title of publication: Ex Post Glycoconjugation of Phthalocyanines
• Authors of publication: Herwig Josef Berthold; Stephan Franke; Joachim Thiem; Theo Schotten; Hoffmann, Frank
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3859 - 3862
• a: 7.3509 ± 0.0004 Å
• b: 14.7643 ± 0.0007 Å
• c: 15.9289 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1728.78 ± 0.15 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.042
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0953
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No