Information card for entry 1506697

Structure parameters

• Formula: C20 H15 Au F6 N O4 P S2
• Calculated formula: C20 H15 Au F6 N O4 P S2
• SMILES: [Au]([P](c1ccccc1)(c1ccccc1)c1ccccc1)N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• Title of publication: Phosphine gold(I) bis-(trifluoromethanesulfonyl)imidate complexes as new highly efficient and air-stable catalysts for the cycloisomerization of enynes.
• Authors of publication: Mézailles, Nicolas; Ricard, Louis; Gagosz, Fabien
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 19
• Pages of publication: 4133 - 4136
• a: 13.413 ± 0.001 Å
• b: 8.473 ± 0.001 Å
• c: 22.024 ± 0.001 Å
• α: 90°
• β: 106.357 ± 0.001°
• γ: 90°
• Cell volume: 2401.7 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0354
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0742
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No