Information card for entry 7123785

Structure parameters

• Formula: C23 H20 O3
• Calculated formula: C23 H20 O3
• Title of publication: B(C6F5)3-Catalyzed Formal [4+1]-Annulation of ortho-Quinone Methides with Diazoacetates: Access to 2,3-Dihydrobenzofurans
• Authors of publication: Xu, Guangyang; Tang, Sheng-Biao; Shao, Ying; Sun, Jiangtao
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 22.15 ± 0.002 Å
• b: 6.9258 ± 0.0009 Å
• c: 24.121 ± 0.003 Å
• α: 90°
• β: 107.162 ± 0.004°
• γ: 90°
• Cell volume: 3535.6 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0652
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1305
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No