Information card for entry 7155596

Structure parameters

• Common name: methyl 5-chloro-3-oxo-2-(4-oxopentan-2-yl)-2,3-dihydrobenzofuran-2-carboxylate
• Chemical name: methyl 5-chloro-3-oxo-2-(4-oxopentan-2-yl)-2,3-dihydrobenzofuran-2-carboxylate
• Formula: C15 H15 Cl O5
• Calculated formula: C15 H15 Cl O5
• Title of publication: Asymmetric conjugate additions of 2-substituted benzofuran-3(2H)-ones to α,β-unsaturated ketones catalyzed by chiral copper complexes
• Authors of publication: Wang, Haojiang; Wang, Yifeng; Zhang, Cheng; Jiang, Yidong; Chu, Mingming; Li, Zhaobo; Du, Xiaohua; Xu, Danqian
• Journal of publication: Org. Biomol. Chem.
• Year of publication: 2017
• a: 15.8422 ± 0.0017 Å
• b: 15.8422 ± 0.0017 Å
• c: 11.1926 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2432.7 ± 0.5 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0719
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1541
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No