Information card for entry 1515768

Structure parameters

• Common name: rkl-100180-E10
• Chemical name: toste03
• Formula: C44 H52 Au N2 O3 P
• Calculated formula: C44 H52 Au N2 O3 P
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Au]CC1CC(CN1C(=O)NC(C)(C)C)(c1ccccc1)c1ccccc1.COCCOC
• Title of publication: Alkylgold complexes by the intramolecular aminoauration of unactivated alkenes.
• Authors of publication: Lalonde, Rebecca L.; Brenzovich, Jr, William E; Benitez, Diego; Tkatchouk, Ekaterina; Kelley, Kotaro; Goddard, 3rd, William A; Toste, F. Dean
• Journal of publication: Chemical science (Royal Society of Chemistry : 2010)
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 2
• Pages of publication: 226
• a: 8.8343 ± 0.0011 Å
• b: 27.11 ± 0.004 Å
• c: 17.039 ± 0.002 Å
• α: 90°
• β: 92.118 ± 0.002°
• γ: 90°
• Cell volume: 4078 ± 0.9 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0844
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No