Information card for entry 7133109

Structure parameters

• Formula: C29 H23 N O3
• Calculated formula: C29 H23 N O3
• SMILES: c1ccccc1C(=C(\c1ccccc1)c1ccc(cc1)C(=O)OC)\C(=O)Nc1ccccc1
• Title of publication: Expedient access to polysubstituted acrylamides <i>via</i> strain-release-driven dual phosphine and palladium catalysis.
• Authors of publication: Yao, Yu-Xiang; Zhang, Jing; Min, Xuehong; Qin, Lan; Wei, Yi; Gao, Yang; Hu, Xiao-Qiang
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 51
• Pages of publication: 6532 - 6535
• a: 11.302 ± 0.013 Å
• b: 22.17 ± 0.03 Å
• c: 9.91 ± 0.011 Å
• α: 90°
• β: 107.88 ± 0.03°
• γ: 90°
• Cell volume: 2363 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1835
• Residual factor for significantly intense reflections: 0.0734
• Weighted residual factors for significantly intense reflections: 0.1792
• Weighted residual factors for all reflections included in the refinement: 0.2335
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No