Information card for entry 4129820

Structure parameters

• Common name: KH-1250
• Chemical name: toste123
• Formula: C30 H24 Au Cl4 O2 P
• Calculated formula: C30 H24 Au Cl4 O2 P
• SMILES: c12cccc3cccc(c13)c1c(c(cc(c1)OC)OC)[P+]2(c1ccccc1)c1ccccc1.[Cl-][Au](Cl)(Cl)Cl
• Title of publication: Phosphonium Formation by Facile Carbon-Phosphorus Reductive Elimination from Gold(III).
• Authors of publication: Kawai, Hiroyuki; Wolf, William J.; DiPasquale, Antonio G.; Winston, Matthew S.; Toste, F. Dean
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 2
• Pages of publication: 587 - 593
• a: 8.423 ± 0.0003 Å
• b: 27.385 ± 0.0008 Å
• c: 12.2756 ± 0.0004 Å
• α: 90°
• β: 91.736 ± 0.002°
• γ: 90°
• Cell volume: 2830.24 ± 0.16 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: 0.0233
• Residual factor for significantly intense reflections: 0.0204
• Weighted residual factors for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.0389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No