Information card for entry 1558464

Structure parameters

• Formula: C16 H14 F O2
• Calculated formula: C16 H14 F O2
• Title of publication: Deoxygenative α-Alkylation and α-Arylation of 1,2-Dicarbonyls
• Authors of publication: Jin, Shengfei; Dang, Hang T.; Haug, Graham C.; Nguyen, Viet D.; Arman, Hadi; Larionov, Oleg V.
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 5.6436 ± 0.0001 Å
• b: 36.318 ± 0.0005 Å
• c: 6.6768 ± 0.0001 Å
• α: 90°
• β: 107.69 ± 0.002°
• γ: 90°
• Cell volume: 1303.79 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• 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: 0.0621
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No