Information card for entry 1518357

Structure parameters

• Formula: C19 H21 N O2 S
• Calculated formula: C19 H21 N O2 S
• SMILES: S(=O)(=O)(N1C=C[C@H](c2ccccc2)[C@@H](C1)C)c1ccc(cc1)C.S(=O)(=O)(N1C=C[C@@H](c2ccccc2)[C@H](C1)C)c1ccc(cc1)C
• Title of publication: [Cp*Ru]-catalyzed selective coupling/hydrogenation
• Authors of publication: Labed, I.; Labed, A.; Sun, Y.; Jiang, F.; Achard, M.; Dérien, S.; Kabouche, Z.; Bruneau, C.
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 3
• Pages of publication: 1650
• a: 9.952 ± 0.002 Å
• b: 15.043 ± 0.004 Å
• c: 11.1 ± 0.003 Å
• α: 90°
• β: 90.067 ± 0.009°
• γ: 90°
• Cell volume: 1661.8 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No