Information card for entry 4126897

Structure parameters

• Chemical name: cw002
• Formula: C41 H44 Au F6 N3 O5 S2
• Calculated formula: C41 H44 Au F6 N3 O5 S2
• SMILES: c12ccccc1c1ccccc1[Au]2(=C1N(c2c(C(C)C)cccc2C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)[OH2].C(F)(F)(F)S(=O)(=O)N=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: 11.5119 ± 0.0007 Å
• b: 12.4187 ± 0.0011 Å
• c: 17.4473 ± 0.001 Å
• α: 77.671 ± 0.004°
• β: 72.125 ± 0.003°
• γ: 74.609 ± 0.002°
• Cell volume: 2264.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0692
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1768
• Weighted residual factors for all reflections included in the refinement: 0.1822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No