Information card for entry 4129664

Structure parameters

• Formula: C22 H24 N2 O2 S
• Calculated formula: C22 H24 N2 O2 S
• SMILES: C([C@@H](c1ccc(cc1)C)NS(=O)(=O)C)N(c1ccccc1)c1ccccc1
• Title of publication: Synergistic Catalysis of Ionic Brønsted Acid and Photosensitizer for a Redox Neutral Asymmetric α-Coupling of N-Arylaminomethanes with Aldimines.
• Authors of publication: Uraguchi, Daisuke; Kinoshita, Natsuko; Kizu, Tomohito; Ooi, Takashi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 43
• Pages of publication: 13768 - 13771
• a: 11.364 ± 0.003 Å
• b: 7.4049 ± 0.0019 Å
• c: 12.903 ± 0.004 Å
• α: 90°
• β: 111.522 ± 0.004°
• γ: 90°
• Cell volume: 1010.1 ± 0.5 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.0412
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0775
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No