Information card for entry 7157296

Structure parameters

• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• Title of publication: Direct oxidative coupling of N-acyl pyrroles with alkenes by ruthenium(ii)-catalyzed regioselective C2-alkenylation.
• Authors of publication: Chen, Weiqiang; Li, Hui-Jing; Li, Qin-Ying; Wu, Yan-Chao
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 3
• Pages of publication: 500 - 513
• a: 10.2856 ± 0.0005 Å
• b: 13.4694 ± 0.0006 Å
• c: 11.2174 ± 0.0005 Å
• α: 90°
• β: 90.662 ± 0.004°
• γ: 90°
• Cell volume: 1553.96 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0478
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No