Information card for entry 4027478

Structure parameters

• Formula: C19 H25 N O9
• Calculated formula: C19 H25 N O9
• Title of publication: Synthesis and Scalable Conversion of l-Iduronamides to Heparin-Related Di- and Tetrasaccharides
• Authors of publication: Steen U. Hansen; Gavin J. Miller; Marek Baráth; Karl R. Broberg; Egle Avizienyte; Madeleine Helliwell; James Raftery; Gordon C. Jayson; John M. Gardiner
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 7823 - 7843
• a: 21.575 ± 0.014 Å
• b: 8.693 ± 0.005 Å
• c: 10.727 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2012 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.113
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1576
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No