Information card for entry 7123786

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: 18.0338 ± 0.0016 Å
• b: 5.8228 ± 0.0006 Å
• c: 17.2022 ± 0.0017 Å
• α: 90°
• β: 99.63 ± 0.003°
• γ: 90°
• Cell volume: 1780.9 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• 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: 0.0557
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No