Information card for entry 4130802

Structure parameters

• Formula: C19 H27 Au I P
• Calculated formula: C19 H27 Au I P
• SMILES: [Au]1(I)([P](c2c3c1cccc3ccc2)(C(C)C)C(C)C)CCC
• Title of publication: β-Hydride Elimination at Low-Coordinate Gold(III) Centers.
• Authors of publication: Rekhroukh, Feriel; Estevez, Laura; Mallet-Ladeira, Sonia; Miqueu, Karinne; Amgoune, Abderrahmane; Bourissou, Didier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 36
• Pages of publication: 11920 - 11929
• a: 8.5059 ± 0.0003 Å
• b: 10.5556 ± 0.0003 Å
• c: 11.4816 ± 0.0004 Å
• α: 90°
• β: 93.9911 ± 0.0016°
• γ: 90°
• Cell volume: 1028.37 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.1165
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No