Information card for entry 7129756

Structure parameters

• Formula: C14 H12 O2
• Calculated formula: C14 H12 O2
• Title of publication: Visible-light-driven C(sp2)–H arylation of phenols with arylbromides enabled by electron donor–acceptor excitation
• Authors of publication: Zhu, Da-Liang; Jiang, Shan; Young, David James; Wu, Qi; Li, Hai-Yan; Li, Hong-Xi
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 6.8356 ± 0.0003 Å
• b: 22.7724 ± 0.0011 Å
• c: 7.0408 ± 0.0003 Å
• α: 90°
• β: 101.861 ± 0.005°
• γ: 90°
• Cell volume: 1072.59 ± 0.09 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0814
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.166
• Weighted residual factors for all reflections included in the refinement: 0.1879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No