Information card for entry 7133108

Structure parameters

• Formula: C35 H27 Cl2 N O2
• Calculated formula: C35 H27 Cl2 N O2
• SMILES: c1cccc(C(=O)c2ccc(cc2)C(=C(\C(=O)Nc2ccccc2)c2ccccc2)\c2ccccc2)c1.C(Cl)Cl
• 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: 12.4215 ± 0.0008 Å
• b: 27.311 ± 0.002 Å
• c: 9.588 ± 0.0007 Å
• α: 90°
• β: 112.62 ± 0.003°
• γ: 90°
• Cell volume: 3002.5 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.1771
• Residual factor for significantly intense reflections: 0.1096
• Weighted residual factors for significantly intense reflections: 0.2108
• Weighted residual factors for all reflections included in the refinement: 0.2381
• Goodness-of-fit parameter for all reflections included in the refinement: 1.36
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No