Information card for entry 4511662

Structure parameters

• Formula: C42 H45 N O13
• Calculated formula: C42 H45 N O13
• Title of publication: Acyclic tethers mimicking subunits of polysaccharide ligands: selectin antagonists.
• Authors of publication: Calosso, Mickael; Tambutet, Guillaume; Charpentier, Daniel; St-Pierre, Gabrielle; Vaillancourt, Marc; Bencheqroun, Mohammed; Gratton, Jean-Philippe; Prévost, Michel; Guindon, Yvan
• Journal of publication: ACS medicinal chemistry letters
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 9
• Pages of publication: 1054 - 1059
• a: 15.5024 ± 0.0016 Å
• b: 6.2258 ± 0.0008 Å
• c: 20.953 ± 0.002 Å
• α: 90°
• β: 101.598 ± 0.005°
• γ: 90°
• Cell volume: 1981 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1133
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.1808
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No