Information card for entry 4025152

Structure parameters

• Formula: C21 H24 O6 S
• Calculated formula: C21 H24 O6 S
• SMILES: S(=O)(=O)([C@@H]1[C@@H]2OC[C@@H](O[C@@H]2OC)[C@H]1OCc1ccccc1)c1ccc(cc1)C
• Title of publication: An Experimental and Theoretical Study on the Remarkable Influence of Protecting Groups on the Selectivity of Addition of Amines to Vinyl Sulfone-Modified Hex-2-enopyranosides
• Authors of publication: Rahul Bhattacharya; Manoj K. Kesharwani; Chinmoy Manna; Bishwajit Ganguly; Cheravakattu G. Suresh; Tanmaya Pathak
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 303 - 314
• a: 8.7034 ± 0.0003 Å
• b: 10.0673 ± 0.0004 Å
• c: 23.1719 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2030.32 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0865
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1219
• Weighted residual factors for all reflections included in the refinement: 0.1436
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No