Information card for entry 7152792

Structure parameters

• Formula: C20 H24 N2 O6 S2
• Calculated formula: C20 H24 N2 O6 S2
• SMILES: S(=O)(=O)(N1C[C@@H]2N(S(=O)(=O)c3ccc(cc3)C)C[C@@H](O)[C@H]1[C@@H]2O)c1ccc(cc1)C
• 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: 10.043 ± 0.003 Å
• b: 8.99 ± 0.002 Å
• c: 25.768 ± 0.006 Å
• α: 90°
• β: 96.651 ± 0.005°
• γ: 90°
• Cell volume: 2310.8 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.1121
• Residual factor for significantly intense reflections: 0.0846
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2399
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No