Information card for entry 4121835

Structure parameters

• Formula: C25 H36 Au F5 I P
• Calculated formula: C25 H36 Au F5 I P
• SMILES: c1c(cc(cc1F)F)[Au](C(F)(F)F)([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)I
• Title of publication: Photoinitiated Oxidative Addition of CF3I to Gold(I) and Facile Aryl-CF3 Reductive Elimination.
• Authors of publication: Winston, Matthew S.; Wolf, William J.; Toste, F. Dean
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 21
• Pages of publication: 7777 - 7782
• a: 9.6496 ± 0.0004 Å
• b: 15.8469 ± 0.0007 Å
• c: 17.6621 ± 0.0007 Å
• α: 90°
• β: 101.402 ± 0.001°
• γ: 90°
• Cell volume: 2647.52 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0177
• Residual factor for significantly intense reflections: 0.0175
• Weighted residual factors for significantly intense reflections: 0.0424
• Weighted residual factors for all reflections included in the refinement: 0.0425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.172
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No