Information card for entry 4130273

Structure parameters

• Formula: C23 H21 N O3 S
• Calculated formula: C23 H21 N O3 S
• SMILES: S(=O)(=O)(N1CC=C(c2ccccc2)c2c1cc(cc2)CO)c1ccc(cc1)C
• Title of publication: Utility of Ligand Effect in Homogenous Gold Catalysis: Enabling Regiodivergent π-Bond-Activated Cyclization.
• Authors of publication: Ding, Dong; Mou, Tao; Feng, Minghao; Jiang, Xuefeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 16
• Pages of publication: 5218 - 5221
• a: 13.2698 ± 0.0006 Å
• b: 7.9678 ± 0.0003 Å
• c: 18.6432 ± 0.0008 Å
• α: 90°
• β: 102.755 ± 0.001°
• γ: 90°
• Cell volume: 1922.52 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1694
• Weighted residual factors for all reflections included in the refinement: 0.1896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No