Information card for entry 4131541

Structure parameters

• Formula: C13 H13 Au Cl2 F N
• Calculated formula: C13 Au Cl2 F N
• SMILES: [Au](Cl)(Cl)([n]1c(cccc1C)C)c1ccc(F)cc1
• Title of publication: Oxidative 1,2-Difunctionalization of Ethylene via Gold-Catalyzed Oxyarylation.
• Authors of publication: Harper, Matthew J.; Emmett, Edward J.; Bower, John F.; Russell, Christopher A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• Journal volume: 139
• Journal issue: 36
• Pages of publication: 12386 - 12389
• a: 14.7841 ± 0.0003 Å
• b: 14.3018 ± 0.0002 Å
• c: 15.1278 ± 0.0003 Å
• α: 90°
• β: 117.45 ± 0.0008°
• γ: 90°
• Cell volume: 2838.5 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.0509
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No