Information card for entry 1547558

Structure parameters

• Formula: C17 H17 N O3 S
• Calculated formula: C17 H17 N O3 S
• SMILES: S(=O)(=O)(NC(=C\C(=O)C)/c1ccccc1)c1ccc(cc1)C
• Title of publication: Gold(I)/Gold(III)-Catalyzed Selective Synthesis of N-Sulfonyl Enaminone Isomers from Sulfonamides and Ynones via Two Distinct Reaction Pathways.
• Authors of publication: Lee, Dabon; Kim, Sang Min; Hirao, Hajime; Hong, Soon Hyeok
• Journal of publication: Organic letters
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 18
• Pages of publication: 4734 - 4737
• a: 9.8615 ± 0.0008 Å
• b: 12.1461 ± 0.001 Å
• c: 14.1071 ± 0.0012 Å
• α: 90°
• β: 107.15 ± 0.003°
• γ: 90°
• Cell volume: 1614.6 ± 0.2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223.15 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: 0.1047
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No