Information card for entry 4037273

Structure parameters

• Formula: C28 H26 N2 O3 S2
• Calculated formula: C28 H26 N2 O3 S2
• SMILES: c1(ccccc1)S(c1ccccc1)(=N/C(=C/c1ccccc1)N(C)S(=O)(=O)c1ccc(cc1)C)=O
• Title of publication: Transition-Metal-Catalyzed Hydrosulfoximination and Oxidation Reaction for the Synthesis of Sulfoximine Derivatives.
• Authors of publication: Chen, Zhiyuan; Huang, Jiapian; Wang, Zhijie
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2016
• Journal volume: 81
• Journal issue: 19
• Pages of publication: 9308 - 9314
• a: 20.849 ± 0.002 Å
• b: 6.117 ± 0.0006 Å
• c: 20.0741 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2560.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0686
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1239
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No