Information card for entry 1574057

Structure parameters

• Formula: C43 H34 N2 O4
• Calculated formula: C43 H34 N2 O4
• SMILES: O(c1c(/C=C/2c3c(N(C)C2=O)cccc3)cccc1)C1=C[C@@H]2COc3ccccc3[C@@H]2[C@@]2([C@@H]1c1ccccc1)c1c(N(C)C2=O)cccc1.O(c1c(/C=C/2c3c(N(C)C2=O)cccc3)cccc1)C1=C[C@H]2COc3ccccc3[C@H]2[C@]2([C@H]1c1ccccc1)c1c(N(C)C2=O)cccc1
• Title of publication: Palladium-catalysed asymmetric cascade transformations of 4-alken-2-ynyl carbonates to construct complex frameworks.
• Authors of publication: He, Ze-Liang; Li, Li; Chen, Zhi-Chao; Du, Wei; Chen, Ying-Chun
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 7
• Pages of publication: 3124 - 3129
• a: 21.731 ± 0.004 Å
• b: 9.151 ± 0.0015 Å
• c: 34.748 ± 0.007 Å
• α: 90°
• β: 107.204 ± 0.009°
• γ: 90°
• Cell volume: 6601 ± 2 ų
• Cell temperature: 304 ± 2 K
• Ambient diffraction temperature: 304 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1959
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.1892
• Weighted residual factors for all reflections included in the refinement: 0.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No