Information card for entry 4035678

Structure parameters

• Formula: C27 H28 N2 O5 S2
• Calculated formula: C27 H28 N2 O5 S2
• SMILES: S(=O)(=O)(N(S(=O)(=O)c1ccc(cc1)C)c1cn(c2c1cccc2)C(=O)C(C)(C)C)c1ccc(cc1)C
• Title of publication: Copper-Catalyzed Indole-Selective C-N Coupling Reaction of Indolyl(2-alkoxy-phenyl)iodonium Imides: Effect of Substituent on Iodoarene as Dummy Ligand.
• Authors of publication: Watanabe, Kazuhiro; Moriyama, Katsuhiko
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2018
• Journal volume: 83
• Journal issue: 23
• Pages of publication: 14827 - 14833
• a: 9.475 ± 0.002 Å
• b: 10.144 ± 0.002 Å
• c: 13.66 ± 0.003 Å
• α: 98.118 ± 0.003°
• β: 91.348 ± 0.003°
• γ: 100.871 ± 0.003°
• Cell volume: 1274.7 ± 0.5 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.0892
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1223
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No