Information card for entry 4130036

Structure parameters

• Formula: C18 H17 I O4
• Calculated formula: C18 H17 I O4
• SMILES: [I]1(OC(=O)c2c1cccc2)OC1(CCC1)c1ccc(OC)cc1
• Title of publication: Visible-Light-Induced Alkoxyl Radical Generation Enables Selective C(sp(3))-C(sp(3)) Bond Cleavage and Functionalizations.
• Authors of publication: Jia, Kunfang; Zhang, Fuyuan; Huang, Hanchu; Chen, Yiyun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 5
• Pages of publication: 1514 - 1517
• a: 9.27 ± 0.005 Å
• b: 7.881 ± 0.004 Å
• c: 22.818 ± 0.012 Å
• α: 90°
• β: 99.868 ± 0.012°
• γ: 90°
• Cell volume: 1642.3 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0808
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No