Information card for entry 4118035

Structure parameters

• Formula: C38 H44 Au O P
• Calculated formula: C38 H44 Au O P
• SMILES: [Au]([P](C(C)(C)C)(C(C)(C)C)c1c(cccc1)c1ccccc1)C(=C)C1CC(CO1)(c1ccccc1)c1ccccc1
• Title of publication: Mechanistic Analysis of Gold(I)-Catalyzed Intramolecular Allene Hydroalkoxylation Reveals an Off-Cycle Bis(gold) Vinyl Species and Reversible C-O Bond Formation
• Authors of publication: Timothy J. Brown; Dieter Weber; Michel R. Gagné; Ross A. Widenhoefer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9134 - 9137
• a: 10.4836 ± 0.001 Å
• b: 12.017 ± 0.0012 Å
• c: 13.9089 ± 0.0013 Å
• α: 78.881 ± 0.004°
• β: 78.768 ± 0.004°
• γ: 67.199 ± 0.005°
• Cell volume: 1571 ± 0.3 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No