Information card for entry 1553146

Structure parameters

• Formula: C25 H23 Au I N3 O
• Calculated formula: C25 H22 Au I N3 O
• Title of publication: Selectfluor promoted NHC‒oxazoline gold(i) complex catalyzed cycloaddition/oxidation reaction of enynones with alkenes
• Authors of publication: Xu, Qin; Gu, Peng; Wang, Feijun; Shi, Min
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 11
• Pages of publication: 1475
• a: 32.577 ± 0.006 Å
• b: 10.964 ± 0.002 Å
• c: 15.077 ± 0.003 Å
• α: 90°
• β: 101.267 ± 0.006°
• γ: 90°
• Cell volume: 5281.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No