Information card for entry 7128170

Structure parameters

• Formula: C27 H22 Br N O2
• Calculated formula: C27 H22 Br N O2
• 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: 9.5547 ± 0.0002 Å
• b: 10.0105 ± 0.0003 Å
• c: 24.6215 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2354.98 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0554
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.0954
• Weighted residual factors for all reflections included in the refinement: 0.1053
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No