Information card for entry 7125139

Structure parameters

• Formula: C31 H20 O4
• Calculated formula: C31 H20 O4
• Title of publication: Organocatalytic asymmetric formal arylation of benzofuran-2(3H)-ones with cooperative visible light photocatalysis.
• Authors of publication: Liu, Yang; Li, Jiangtao; Ye, Xinyi; Zhao, Xiaowei; Jiang, Zhiyong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 97
• Pages of publication: 13955 - 13958
• a: 11.1942 ± 0.0008 Å
• b: 6.6554 ± 0.0005 Å
• c: 16.7572 ± 0.0013 Å
• α: 90°
• β: 108.366 ± 0.008°
• γ: 90°
• Cell volume: 1184.85 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No