Information card for entry 4121841

Structure parameters

• Formula: C26 H40 Au F3 I P
• Calculated formula: C26 H40 Au F3 I P
• SMILES: C(F)(F)(F)[Au](c1ccc(cc1)C)([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: 11.4612 ± 0.0006 Å
• b: 14.5201 ± 0.0008 Å
• c: 18.0799 ± 0.001 Å
• α: 83.48 ± 0.001°
• β: 76.161 ± 0.001°
• γ: 71.195 ± 0.001°
• Cell volume: 2763.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0175
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0394
• Weighted residual factors for all reflections included in the refinement: 0.0402
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No