Information card for entry 4106740

Structure parameters

• Common name: IPrAuCH2CH2tBu
• Formula: C33 H49 Au N2
• Calculated formula: C33 H49 Au N2
• SMILES: [Au](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)CCC(C)(C)C
• Title of publication: Two Metals Are Better Than One in the Gold Catalyzed Oxidative Heteroarylation of Alkenes
• Authors of publication: Ekaterina Tkatchouk; Neal P. Mankad; Diego Benitez; William A. Goddard; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 14293 - 14300
• a: 9.8072 ± 0.0004 Å
• b: 10.5644 ± 0.0004 Å
• c: 15.4385 ± 0.0007 Å
• α: 92.008 ± 0.002°
• β: 94.622 ± 0.002°
• γ: 95.187 ± 0.002°
• Cell volume: 1586.37 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0135
• Residual factor for significantly intense reflections: 0.0128
• Weighted residual factors for significantly intense reflections: 0.0315
• Weighted residual factors for all reflections included in the refinement: 0.0319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No