Information card for entry 4102337

Structure parameters

• Formula: C18 H29 Au F3 P
• Calculated formula: C18 H29 Au F3 P
• SMILES: [Au](c1c(F)cc(F)cc1F)[P](C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Gold(I)-Mediated C-H Activation of Arenes
• Authors of publication: Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5580 - 5581
• a: 8.5787 ± 0.0006 Å
• b: 18.4977 ± 0.0013 Å
• c: 12.5721 ± 0.0009 Å
• α: 90°
• β: 90.313 ± 0.003°
• γ: 90°
• Cell volume: 1995 ± 0.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• 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: 0.0277
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No