Information card for entry 7128658

Structure parameters

• Formula: C23 H25 N O4
• Calculated formula: C23 H25 N O4
• SMILES: O(CC)C(=O)[C@@H](/N=C/c1ccccc1C)[C@H](c1ccccc1)C(=C)C(=O)OC
• Title of publication: Copper/Lewis base cooperatively catalyzed asymmetric allylic alkylation of Morita-Baylis-Hillman carbonates with azomethine ylides.
• Authors of publication: Hu, Yimin; Yan, Zhengyang; Shi, Wangyu; Liao, Jianning; Liu, Min; Pan, Ting; Wang, Wei; Wu, Yongjun; Hao, Xianghong; Guo, Hongchao
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 65
• Pages of publication: 8059 - 8062
• a: 5.8434 ± 0.0002 Å
• b: 9.9102 ± 0.0003 Å
• c: 17.9362 ± 0.0005 Å
• α: 82.413 ± 0.001°
• β: 86.455 ± 0.001°
• γ: 89.466 ± 0.001°
• Cell volume: 1027.61 ± 0.06 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No