Information card for entry 4026659

Structure parameters

• Formula: C19 H19 Cl2 N O2 S
• Calculated formula: C19 H19 Cl2 N O2 S
• Title of publication: Synthesis of Multisubstituted Enamides via Pd-Catalyzed Chloroallylation of Ynamides
• Authors of publication: Zenghui Lu; Wei Kong; Zheliang Yuan; Xueyan Zhao; Gangguo Zhu
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2011
• Journal volume: 76
• Pages of publication: 8524 - 8529
• a: 7.0335 ± 0.0005 Å
• b: 35.053 ± 0.002 Å
• c: 8.2257 ± 0.0006 Å
• α: 90°
• β: 106.305 ± 0.005°
• γ: 90°
• Cell volume: 1946.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.1072
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No