Information card for entry 7245993

Structure parameters

• Formula: C22 H18 O2
• Calculated formula: C22 H18 O2
• Title of publication: DTBP-mediated cross-dehydrogenative coupling of 3-aryl benzofuran-2(3H)-ones with toluenes/phenols for all-carbon quaternary centers
• Authors of publication: Tong, Zhou; Peng, Xinju; Tang, Zhi; Yang, Weijun; Deng, Wei; Yin, Shuang-Feng; Kambe, Nobuaki; Qiu, Renhua
• Journal of publication: RSC Advances
• Year of publication: 2022
• Journal volume: 12
• Journal issue: 54
• Pages of publication: 35215 - 35220
• a: 16.6597 ± 0.0009 Å
• b: 9.1073 ± 0.0004 Å
• c: 10.5974 ± 0.0006 Å
• α: 90°
• β: 94.571 ± 0.005°
• γ: 90°
• Cell volume: 1602.78 ± 0.14 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No