Information card for entry 7160377

Structure parameters

• Formula: C13 H14 O5
• Calculated formula: C13 H14 O5
• Title of publication: Visible-light-mediated radical difunctionalization of alkenes with aromatic aldehydes.
• Authors of publication: Xu, Zhenhua; Geng, Tao; Du, Jun; Zuo, Youpeng; Hu, Xiaoxiao; Liu, Lin; Shi, Zhiqiang; Huang, Huawen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 11
• Pages of publication: 2625 - 2629
• a: 13.7949 ± 0.0008 Å
• b: 6.9944 ± 0.0003 Å
• c: 14.1314 ± 0.0008 Å
• α: 90°
• β: 117.585 ± 0.007°
• γ: 90°
• Cell volume: 1208.5 ± 0.14 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0893
• Residual factor for significantly intense reflections: 0.0801
• Weighted residual factors for significantly intense reflections: 0.2056
• Weighted residual factors for all reflections included in the refinement: 0.2216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No