Information card for entry 7125877

Structure parameters

• Formula: C21 H16 Cl N3 O4
• Calculated formula: C21 H16 Cl N3 O4
• Title of publication: Asymmetric dearomatization of 2-nitrobenzofurans by organocatalyzed one-step Michael addition to access 3,3'-disubstituted oxindoles.
• Authors of publication: Ge, Zhen-Zhen; Yang, Lei; You, Yong; Wang, Zhen-Hua; Xie, Ke-Xin; Zhou, Ming-Qiang; Zhao, Jian-Qiang; Yuan, Wei-Cheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 17
• Pages of publication: 2586 - 2589
• a: 9.314 ± 0.0004 Å
• b: 21.8053 ± 0.0013 Å
• c: 9.5831 ± 0.0005 Å
• α: 90°
• β: 94.306 ± 0.004°
• γ: 90°
• Cell volume: 1940.78 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.1204
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No