Information card for entry 7153929

Structure parameters

• Formula: C24 H25 N O6 S
• Calculated formula: C24 H25 N O6 S
• SMILES: S(=O)(=O)(c1ccccc1)[C@](N(=O)=O)(CCCC)CCC(=O)Oc1cccc2ccccc12
• Title of publication: Enantioselective synthesis of γ-tetrasubstituted nitrosulfonyl carboxylates and amides vial-tert-leucine-derived-squaramide catalyzed conjugate addition of nitrosulfones to acrylates and acrylamides.
• Authors of publication: Bera, Kalisankar; Namboothiri, Irishi N. N.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2014
• Journal volume: 12
• Journal issue: 33
• Pages of publication: 6425 - 6431
• a: 10.6 ± 0.004 Å
• b: 12.434 ± 0.005 Å
• c: 16.898 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2227.2 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0419
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No