Information card for entry 7122716

Structure parameters

• Formula: C18 H15 Cl N2 O5
• Calculated formula: C18 H15 Cl N2 O5
• Title of publication: Facile Synthesis of Chiral [2,3]-Fused Hydrobenzofuran via Asymmetric Cu(I)-Catalyzed Dearomative 1,3-Dipolar Cycloaddition
• Authors of publication: Liang, Lei; Niu, Hongying; Wang, Dong-Chao; Yang, Xinhe; Qu, Gui-Rong; Guo, Hai-Ming
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 11.0671 ± 0.0002 Å
• b: 11.0671 ± 0.0002 Å
• c: 11.8214 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1253.91 ± 0.04 ų
• Cell temperature: 120 ± 0.1 K
• Ambient diffraction temperature: 120 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 145
• Hermann-Mauguin space group symbol: P 32
• Hall space group symbol: P 32
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No