Information card for entry 4021922

Structure parameters

• Formula: C48 H55 N O9 S
• Calculated formula: C48 H55 N O9 S
• SMILES: S(=O)(N[C@@H]([C@@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)[C@@](O)(C(=O)OC)c1ccccc1)C(C)(C)C
• Title of publication: Stereoselective One-Pot Synthesis of Constrained N,O-Orthogonally Protected C-Glycosyl Norstatines [C(1')-Aminoglycosyl-1,3-dioxolan-4-ones]
• Authors of publication: Andrea Guerrini; Greta Varchi; Arturo Battaglia
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6785 - 6795
• a: 10.6031 ± 0.0007 Å
• b: 11.5144 ± 0.0008 Å
• c: 18.735 ± 0.0013 Å
• α: 90°
• β: 98.822 ± 0.001°
• γ: 90°
• Cell volume: 2260.3 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0393
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1018
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No