Information card for entry 7157535

Structure parameters

• Formula: C44 H46 Cl N3 O14
• Calculated formula: C44 H45.9996 Cl N3 O14
• Title of publication: Comparison of disaccharide donors for heparan sulfate synthesis: uronic acids vs. their pyranose equivalents.
• Authors of publication: Sheppard, Daniel J.; Cameron, Scott A.; Tyler, Peter C.; Schwörer, Ralf
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 25
• Pages of publication: 4728 - 4733
• a: 8.1104 ± 0.0002 Å
• b: 19.5548 ± 0.0006 Å
• c: 27.2321 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4318.9 ± 0.3 ų
• Cell temperature: 164 ± 2 K
• Ambient diffraction temperature: 164 ± 2 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: 0.0813
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1705
• Weighted residual factors for all reflections included in the refinement: 0.1892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No