Information card for entry 4130272

Structure parameters

• Formula: C24 H22 N2 O4 S
• Calculated formula: C24 H22 N2 O4 S
• SMILES: S(=O)(=O)(N1CCC2(N(OC)C(=O)c3cccc1c23)c1ccccc1)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: 12.9837 ± 0.0006 Å
• b: 9.529 ± 0.0004 Å
• c: 17.8751 ± 0.0008 Å
• α: 90°
• β: 108.758 ± 0.002°
• γ: 90°
• Cell volume: 2094.07 ± 0.16 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No