Information card for entry 4105909

Structure parameters

• Common name: AG04-169
• Chemical name: toste31
• Formula: C68 H54 Au Cl N O2 P
• Calculated formula: C68 H54 Au Cl N O2 P
• SMILES: c12c(c3CCCCc3cc1c1cc3cccc4ccc5cccc1c5c34)c1c(c(cc3c1CCCC3)c1cc3cccc4ccc5cccc1c5c34)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: 8.5886 ± 0.0003 Å
• b: 18.2238 ± 0.0006 Å
• c: 16.121 ± 0.0005 Å
• α: 90°
• β: 95.129 ± 0.002°
• γ: 90°
• Cell volume: 2513.11 ± 0.14 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: 0.0226
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No