Information card for entry 4514817

Structure parameters

• Formula: C30 H25 Au N O2 P
• Calculated formula: C30 H25 Au N O2 P
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)C1N(C(=O)OC=1c1ccccc1)CC=C
• Title of publication: Gold and Palladium Mediated Bimetallic Catalysis: Mechanistic Investigation through the Isolation of the Organogold(I) Intermediates
• Authors of publication: Verlee, Arno; Heugebaert, Thomas; van der Meer, Tom; Kerchev, Pavel; Van Hecke, Kristof; Van Breusegem, Frank; Stevens, Christian V.
• Journal of publication: ACS Catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 9
• Pages of publication: 7862
• a: 12.35599 ± 0.00018 Å
• b: 11.5441 ± 0.00018 Å
• c: 17.5685 ± 0.0003 Å
• α: 90°
• β: 98.0363 ± 0.0014°
• γ: 90°
• Cell volume: 2481.34 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0354
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No