Information card for entry 4127328

Structure parameters

• Formula: C14 H16 Au Br2 F3 N2 O3
• Calculated formula: C14 H16 Au Br2 F3 N2 O3
• SMILES: [Au]1(Br)(Br)[n]2ccccc2C(=O)N1[C@H](COC(=O)C(F)(F)F)C(C)(C)C
• Title of publication: Mechanism of Au(III)-Mediated Alkoxycyclization of a 1,6-Enyne.
• Authors of publication: Reiersølmoen, Ann Christin; Csókás, Dániel; Pápai, Imre; Fiksdahl, Anne; Erdélyi, Máté
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• a: 7.585 ± 0.003 Å
• b: 8.843 ± 0.003 Å
• c: 28.858 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1935.6 ± 1.2 ų
• Cell temperature: 101 ± 2 K
• Ambient diffraction temperature: 101.11 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No