Information card for entry 7133107

Structure parameters

• Formula: C33 H25 N O
• Calculated formula: C33 H25 N O
• SMILES: c1ccccc1/C(=C(c1ccccc1)\C(=O)Nc1ccccc1)c1ccc(cc1)c1ccccc1
• 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: 5.82 ± 0.003 Å
• b: 9.093 ± 0.004 Å
• c: 23.432 ± 0.012 Å
• α: 79.032 ± 0.012°
• β: 87.963 ± 0.016°
• γ: 78.447 ± 0.012°
• Cell volume: 1192.7 ± 1 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: 0.1645
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2176
• Weighted residual factors for all reflections included in the refinement: 0.2434
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No