Information card for entry 7154735

Structure parameters

• Formula: C17 H23 N O9
• Calculated formula: C17 H23 N O9
• SMILES: O([C@H]1O[C@@H]([C@H](OC(=O)C)[C@H](OC(=O)C)[C@H]1NC(=O)C)COC(=O)C)CC#C
• Title of publication: Divergent and convergent synthesis of GalNAc-conjugated dendrimers using dual orthogonal ligations.
• Authors of publication: Thomas, Baptiste; Pifferi, Carlo; Daskhan, Gour Chand; Fiore, Michele; Berthet, Nathalie; Renaudet, Olivier
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 47
• Pages of publication: 11529 - 11538
• a: 9.123 ± 0.0018 Å
• b: 14.399 ± 0.003 Å
• c: 15.26 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2004.6 ± 0.7 ų
• Cell temperature: 297 K
• Ambient diffraction temperature: 297 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: 0.0789
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cukα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No