Information card for entry 1515769

Structure parameters

• Common name: KK-140
• Chemical name: toste15
• Formula: C39 H39 Au N2 O P
• Calculated formula: C39 H39 Au N2 O P
• SMILES: C(C1CCC(CN1C(=O)NCC)(c1ccccc1)c1ccccc1)[Au][P](c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 9.2568 ± 0.0019 Å
• b: 12.331 ± 0.003 Å
• c: 15.174 ± 0.003 Å
• α: 95.195 ± 0.003°
• β: 105.262 ± 0.003°
• γ: 101.577 ± 0.003°
• Cell volume: 1618 ± 0.6 ų
• Cell temperature: 139 ± 2 K
• Ambient diffraction temperature: 139 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No