Information card for entry 7152791

Structure parameters

• Formula: C38 H42 N2 O10 S2
• Calculated formula: C38 H42 N2 O10 S2
• SMILES: S(=O)(=O)(N1[C@H]([C@@H](OC(=O)c2ccccc2)[C@H](O)[C@H](OC(=O)c2ccccc2)C1)CNS(=O)(=O)c1ccc(cc1)C)c1ccc(cc1)C.O1CCCC1
• Title of publication: Protecting group directed diversity during Mitsunobu cyclization of a carbohydrate derived diamino triol. Synthesis of novel bridged bicyclic and six-membered iminocyclitols.
• Authors of publication: Ganesan, Muthupandian; Salunke, Rahul Vilas; Singh, Nem; Ramesh, Namakkal G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 599 - 611
• a: 6.046 ± 0.002 Å
• b: 12.665 ± 0.004 Å
• c: 12.845 ± 0.004 Å
• α: 76.57 ± 0.008°
• β: 81.084 ± 0.007°
• γ: 83.652 ± 0.007°
• Cell volume: 942.3 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1519
• Residual factor for significantly intense reflections: 0.0973
• Weighted residual factors for significantly intense reflections: 0.198
• Weighted residual factors for all reflections included in the refinement: 0.2299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No