Information card for entry 7128171

Structure parameters

• Formula: C27 H23 N O4
• Calculated formula: C27 H23 N O4
• SMILES: C1(=O)C(=C[C@@]([C@H](C(=O)c2c(cccc2)NC(=O)C)c2ccccc2)(c2ccccc2)O1)C.C1(=O)C(=C[C@]([C@@H](C(=O)c2c(cccc2)NC(=O)C)c2ccccc2)(c2ccccc2)O1)C
• Title of publication: Catalytic asymmetric coupling of vinylogous species <i>via</i> deconjugated butenolide addition to vinylogous imines <i>in situ</i> generated from arylsulfonyl indoles.
• Authors of publication: Yuan, Shu-Pei; Zhang, Xia-Yan; Jia, Yun-Qing; Wang, Zhen-Hua; Zhao, Jian-Qiang; You, Yong; Zhou, Ming-Qiang; Yuan, Wei-Cheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 40
• Pages of publication: 4938 - 4941
• a: 10.2533 ± 0.001 Å
• b: 10.7469 ± 0.001 Å
• c: 11.736 ± 0.0009 Å
• α: 93.016 ± 0.007°
• β: 99.314 ± 0.007°
• γ: 116.142 ± 0.01°
• Cell volume: 1134.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0874
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1223
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No