Information card for entry 4133282

Structure parameters

• Formula: C17 H15 N O4 S
• Calculated formula: C17 H15 N O4 S
• SMILES: S1(=O)(=O)N2[C@](c3ccccc13)(C(=O)OCC)Cc1ccccc21
• Title of publication: Copper(II)-Catalyzed Asymmetric Photoredox Reactions: Enantioselective Alkylation of Imines Driven by Visible Light.
• Authors of publication: Li, Yanjun; Zhou, Kexu; Wen, Zhaorui; Cao, Shi; Shen, Xiang; Lei, Meng; Gong, Lei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 46
• Pages of publication: 15850 - 15858
• a: 8.3958 ± 0.0004 Å
• b: 9.7344 ± 0.0005 Å
• c: 18.4678 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1509.34 ± 0.13 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: 0.0464
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No