Information card for entry 4105908

Structure parameters

• Common name: Hg-pyrenyl-phosphoramid-AuCl
• Chemical name: toste29
• Formula: C69 H56 Au Cl3 N O2 P
• Calculated formula: C69 H56 Au Cl3 N O2 P
• SMILES: c12c(cc3CCCCc3c1c1c3CCCCc3cc(c1O[P](N([C@H](C)c1ccccc1)[C@H](C)c1ccccc1)(O2)[Au]Cl)c1ccc2ccc3cccc4ccc1c2c34)c1ccc2ccc3cccc4ccc1c2c34.C(Cl)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: 13.2972 ± 0.0007 Å
• b: 13.2921 ± 0.0007 Å
• c: 17.5488 ± 0.0009 Å
• α: 90°
• β: 102.863 ± 0.003°
• γ: 90°
• Cell volume: 3023.9 ± 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: 0.0437
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No