Information card for entry 7155525

Structure parameters

• Formula: C26 H30 N2 O4
• Calculated formula: C26 H30 N2 O4
• SMILES: CC(C)(C)OC(=O)N(c1ccccc1)C#CC(=C)N(c1ccccc1)C(=O)OC(C)(C)C
• Title of publication: Pd/Cu-Catalyzed tandem head-to-tail dimerization/cycloisomerization of terminal ynamides for the synthesis of 5-vinyloxazolones.
• Authors of publication: Tang, Luning; Huang, Hai; Xi, Yang; He, Guangke; Zhu, Hongjun
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2017
• Journal volume: 15
• Journal issue: 14
• Pages of publication: 2923 - 2930
• a: 10.797 ± 0.013 Å
• b: 11.711 ± 0.015 Å
• c: 12.514 ± 0.015 Å
• α: 113.344 ± 0.017°
• β: 96.823 ± 0.019°
• γ: 113.413 ± 0.019°
• Cell volume: 1259 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0995
• Weighted residual factors for significantly intense reflections: 0.2702
• Weighted residual factors for all reflections included in the refinement: 0.2767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No