Information card for entry 4029963

Structure parameters

• Formula: C22 H12 Cl N O4
• Calculated formula: C22 H12 Cl N O4
• Title of publication: Palladium-catalyzed intermolecular oxyvinylcyclization of alkenes with alkynes: an approach to 3-methylene γ-lactones and tetrahydrofurans.
• Authors of publication: Zhang, Zhenming; Ouyang, Lu; Wu, Wanqing; Li, Jianxiao; Zhang, Zhicai; Jiang, Huanfeng
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2014
• Journal volume: 79
• Journal issue: 22
• Pages of publication: 10734 - 10742
• a: 11.645 ± 0.002 Å
• b: 7.142 ± 0.0014 Å
• c: 21.215 ± 0.004 Å
• α: 90°
• β: 99.78 ± 0.03°
• γ: 90°
• Cell volume: 1738.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1797
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.2727
• Weighted residual factors for all reflections included in the refinement: 0.3441
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No