Information card for entry 4033888

Structure parameters

• Formula: C16 H17 N O2 S
• Calculated formula: C16 H17 N O2 S
• SMILES: S(=O)(=O)(N(/C=C\c1ccc(cc1)c1ccccc1)C)C
• Title of publication: Synthesis of <i>Z</i>-Enamides through Heterogeneous Gold-Catalyzed Stereoselective Hydrogenation of Ynamides.
• Authors of publication: Lin, Long; Zeng, Xiaojun; Xu, Bo
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2019
• Journal volume: 84
• Journal issue: 17
• Pages of publication: 11240 - 11246
• a: 5.4543 ± 0.0001 Å
• b: 7.6941 ± 0.0002 Å
• c: 34.3867 ± 0.0008 Å
• α: 90°
• β: 90.327 ± 0.001°
• γ: 90°
• Cell volume: 1443.05 ± 0.06 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No