Information card for entry 1529866

Structure parameters

• Formula: C24 H23 N O3 S
• Calculated formula: C24 H23 N O3 S
• SMILES: S(=O)(=O)(N1c2ccccc2[C@H](O)[C@@H](C1)C(=C)c1ccccc1)c1ccc(cc1)C.S(=O)(=O)(N1c2ccccc2[C@@H](O)[C@H](C1)C(=C)c1ccccc1)c1ccc(cc1)C
• Title of publication: Cationic Pd(II)-Catalyzed Cyclization of N-Tosyl-aniline Tethered Allenyl Aldehydes with Arylboronic Acids: Diastereo- and Enantioselective Synthesis of Tetrahydroquinoline Derivatives.
• Authors of publication: Zhang, Xiaojuan; Han, Xiuling; Lu, Xiyan
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 15
• Pages of publication: 3910 - 3913
• a: 9.2832 ± 0.0019 Å
• b: 10.302 ± 0.002 Å
• c: 12.39 ± 0.002 Å
• α: 76.387 ± 0.004°
• β: 83.994 ± 0.005°
• γ: 64.267 ± 0.004°
• Cell volume: 1037.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0793
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1285
• Weighted residual factors for all reflections included in the refinement: 0.148
• 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