Information card for entry 4088516

Structure parameters

• Formula: C29 H22 Au Cl4 P
• Calculated formula: C29 H22 Au Cl4 P
• SMILES: [Au](Cl)[P](C1=CC2c3ccccc3C1c1ccccc21)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
• Title of publication: Triaryl-Like MONO-, BIS-, and TRISKITPHOS Phosphines: Synthesis, Solution NMR Studies, and a Comparison in Gold-Catalyzed Carbon‒Heteroatom Bond Forming 5-exo-dig and 6-endo-dig Cyclizations
• Authors of publication: Doherty, Simon; Knight, Julian G.; Perry, Daniel O.; Ward, Nicholas A. B.; Bittner, Dror M.; McFarlane, William; Wills, Corinne; Probert, Michael R.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 9
• Pages of publication: 1265
• a: 11.2812 ± 0.0003 Å
• b: 15.2705 ± 0.0003 Å
• c: 16.0309 ± 0.0003 Å
• α: 90°
• β: 99.43 ± 0.002°
• γ: 90°
• Cell volume: 2724.32 ± 0.1 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0302
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No