Information card for entry 4517583

Structure parameters

• Formula: C16 H18 N2 O2 S
• Calculated formula: C16 H18 N2 O2 S
• Title of publication: Influence of Carbene and Phosphine Ligands on the Catalytic Activity of Gold Complexes in the Hydroamination and Hydrohydrazination of Alkynes
• Authors of publication: Yazdani, Sima; Junor, Glen P.; Peltier, Jesse L.; Gembicky, Milan; Jazzar, Rodolphe; Grotjahn, Douglas B.; Bertrand, Guy
• Journal of publication: ACS Catalysis
• Year of publication: 2020
• Pages of publication: 5190
• a: 5.2585 ± 0.0018 Å
• b: 15.779 ± 0.003 Å
• c: 18.526 ± 0.004 Å
• α: 90°
• β: 95.843 ± 0.014°
• γ: 90°
• Cell volume: 1529.2 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.068
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0837
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No