Information card for entry 4126898

Structure parameters

• Common name: cmh_az_0115
• Formula: C33 H42 Au F6 N3 O6 S2
• Calculated formula: C33 H42 Au F6 N3 O6 S2
• SMILES: C1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=[Au]C(C(=O)OCC)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• Title of publication: Migratory Insertion of Carbenes into Au(III)‒C Bonds
• Authors of publication: Zhukhovitskiy, Aleksandr V.; Kobylianskii, Ilia J.; Wu, Chung-Yeh; Toste, F. Dean
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 10.6265 ± 0.0011 Å
• b: 21.339 ± 0.002 Å
• c: 17.8939 ± 0.0019 Å
• α: 90°
• β: 107.27°
• γ: 90°
• Cell volume: 3874.7 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1554
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No