Information card for entry 7127070

Structure parameters

• Formula: C19 H15 Br Cl N O4
• Calculated formula: C19 H15 Br Cl N O4
• Title of publication: Copper-catalyzed (4+1) and (3+2) cyclizations of iodonium ylides with alkynes.
• Authors of publication: Liang, Hao; He, Xiaobo; Zhang, Yaqi; Chen, Bin; Ouyang, Jia-Sheng; Li, Yongsu; Pan, Bendu; Subba Reddy, Chitreddy V.; Chan, Wesley Ting Kwok; Qiu, Liqin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 77
• Pages of publication: 11429 - 11432
• a: 12.4479 ± 0.0006 Å
• b: 10.9895 ± 0.0005 Å
• c: 14.072 ± 0.0007 Å
• α: 90°
• β: 104.748 ± 0.0017°
• γ: 90°
• Cell volume: 1861.57 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No