Information card for entry 7241433

Structure parameters

• Formula: C16 H11 F3 O2
• Calculated formula: C16 H11 F3 O2
• Title of publication: Diastereoselective synthesis of CF3-dihydrobenzofurans by [4+1] annulation of in situ-generated CF3-o-quinone methides and sulfur ylides
• Authors of publication: Jha, Babli K.; Prudhviraj, Jaggaraju; Mainkar, Prathama S.; Punna, Nagender; Chandrasekhar, Srivari
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 63
• Pages of publication: 38588 - 38591
• a: 8.056 ± 0.007 Å
• b: 9.746 ± 0.009 Å
• c: 10.356 ± 0.01 Å
• α: 116.09 ± 0.017°
• β: 91.31 ± 0.017°
• γ: 108.693 ± 0.016°
• Cell volume: 678.8 ± 1.1 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0722
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1353
• Weighted residual factors for all reflections included in the refinement: 0.1524
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No