Information card for entry 4106628

Structure parameters

• Common name: YMW-IV-179
• Chemical name: toste39
• Formula: C58 H54 Au2 Cl2 F6 N6 O3
• Calculated formula: C58 H54 Au2 Cl2 F6 N6 O3
• SMILES: C(Nc1c(c2ccccc2cc1c1ccc(cc1)C(F)(F)F)c1c(c(cc2c1cccc2)c1ccc(cc1)C(F)(F)F)NC(Nc1ccccn1)=[Au]Cl)(Nc1ccccn1)=[Au]Cl.C1CCCO1.C1CCCO1.C1CCCO1
• Title of publication: Chiral (Acyclic Diaminocarbene)Gold(I)-Catalyzed Dynamic Kinetic Asymmetric Transformation of Propargyl Esters
• Authors of publication: Yi-Ming Wang; Christian N. Kuzniewski; Vivek Rauniyar; Christina Hoong; F. Dean Toste
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12972 - 12975
• a: 11.3458 ± 0.0003 Å
• b: 25.4178 ± 0.0008 Å
• c: 20.5328 ± 0.0006 Å
• α: 90°
• β: 101.16 ± 0.001°
• γ: 90°
• Cell volume: 5809.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0289
• Weighted residual factors for significantly intense reflections: 0.0777
• Weighted residual factors for all reflections included in the refinement: 0.0791
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No