Information card for entry 1515525

Structure parameters

• Formula: C29 H32 Au O2 P
• Calculated formula: C29 H32 Au O2 P
• SMILES: c1(ccccc1)[P](c1ccccc1)(c1ccccc1)[Au]C#CCC(CC=C)(COC)COC
• Title of publication: Tracking gold acetylides in gold(i)-catalyzed cycloisomerization reactions of enynes
• Authors of publication: Simonneau, Antoine; Jaroschik, Florian; Lesage, Denis; Karanik, Magdalena; Guillot, Régis; Malacria, Max; Tabet, Jean-Claude; Goddard, Jean-Philippe; Fensterbank, Louis; Gandon, Vincent; Gimbert, Yves
• Journal of publication: Chemical Science
• Year of publication: 2011
• Journal volume: 2
• Journal issue: 12
• Pages of publication: 2417
• a: 16.9075 ± 0.0012 Å
• b: 9.8602 ± 0.0007 Å
• c: 17.2281 ± 0.0012 Å
• α: 90°
• β: 113.997 ± 0.002°
• γ: 90°
• Cell volume: 2623.9 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• 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: 0.0851
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.2057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No