Information card for entry 4111905

Structure parameters

• Formula: C35 H33 N O3 S2
• Calculated formula: C35 H33 N O3 S2
• SMILES: S(=O)(=O)(NC(c1ccccc1)(c1ccccc1)[C@@H](C)c1ccccc1S(=O)c1ccc(cc1)C)c1ccc(cc1)C
• Title of publication: Highly Stereoselective Benzylation of N-Sulfinylketimines
• Authors of publication: José Luis García Ruano; José Alemán; Alejandro Parra
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• Journal volume: 127
• Pages of publication: 13048 - 13054
• a: 8.2042 ± 0.0003 Å
• b: 15.1998 ± 0.0006 Å
• c: 23.334 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2909.8 ± 0.19 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: 0.059
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No