Information card for entry 4109758

Structure parameters

• Formula: C27 H26 F7 N O2
• Calculated formula: C27 H26 F7 N O2
• Title of publication: Two Methods for Direct ortho-Arylation of Benzoic Acids
• Authors of publication: Hendrich A. Chiong; Quynh-Nhu Pham; Olafs Daugulis
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2007
• Journal volume: 129
• Pages of publication: 9879 - 9884
• a: 9.748 ± 0.002 Å
• b: 12.943 ± 0.002 Å
• c: 20.949 ± 0.003 Å
• α: 105.117 ± 0.002°
• β: 94.607 ± 0.003°
• γ: 94.565 ± 0.003°
• Cell volume: 2529.5 ± 0.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1606
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1471
• Weighted residual factors for all reflections included in the refinement: 0.1978
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No