Information card for entry 7232466

Structure parameters

• Formula: C15 H12 O2
• Calculated formula: C15 H12 O2
• Title of publication: Recyclable nickel-catalyzed C‒H/O‒H dual functionalization of phenols with mandelic acids for the synthesis of 3-aryl benzofuran-2(3H)-ones under solvent-free conditions
• Authors of publication: Tang, Zhi; Tong, Zhou; Xu, Zhihui; Au, Chak-Tong; Qiu, Renhua; Yin, Shuang-Feng
• Journal of publication: Green Chemistry
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 8
• Pages of publication: 2015
• a: 9.6376 ± 0.0009 Å
• b: 8.3094 ± 0.0008 Å
• c: 14.8885 ± 0.0014 Å
• α: 90°
• β: 92.042 ± 0.001°
• γ: 90°
• Cell volume: 1191.6 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0481
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No