Information card for entry 4025153

Structure parameters

• Formula: C37 H41 N O6 S
• Calculated formula: C37 H40.5 N O6 S
• SMILES: CO[C@@H]1O[C@@H]([C@@H](O)[C@H](S(=O)(=O)c2ccc(cc2)C)[C@H]1N1CCCC1)COC(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 8.766 Å
• b: 12.419 Å
• c: 16.03 Å
• α: 92.17°
• β: 92.89°
• γ: 90.28°
• Cell volume: 1741.59 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.333
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No