Information card for entry 4105910

Structure parameters

• Common name: AG05-28
• Chemical name: toste32
• Formula: C84 H57 Au Cl F12 N O2 P
• Calculated formula: C84 H57 Au Cl F12 N O2 P
• SMILES: c12c(c3CCCCc3cc1c1cc3cccc4c(cc5cccc1c5c34)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1c(c(cc3c1CCCC3)c1cc3cc[c]c4c(cc5cccc1c5c34)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O[P@@](N([C@@H](C)c1ccccc1)[C@@H](C)c1ccccc1)(O2)[Au]Cl
• Title of publication: Phosphoramidite Gold(I)-Catalyzed Diastereo- and Enantioselective Synthesis of 3,4-Substituted Pyrrolidines
• Authors of publication: Ana Z. González; Diego Benitez; Ekaterina Tkatchouk; 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: 5500 - 5507
• a: 8.3457 ± 0.0005 Å
• b: 20.6561 ± 0.0012 Å
• c: 44.304 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7637.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.133
• Residual factor for significantly intense reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.2939
• Weighted residual factors for all reflections included in the refinement: 0.3096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No