Information card for entry 4132459

Structure parameters

• Formula: C38 H47 Au Cl F6 N P Sb
• Calculated formula: C38 H47 Au Cl F6 N P Sb
• SMILES: [Au]1(Cl)([P](c2c([N]1(C)C)cccc2)(C12CC3CC(CC(C2)C3)C1)C12CC3CC(C2)CC(C1)C3)c1ccc2c(c1)cccc2.[Sb](F)(F)(F)(F)([F-])F
• Title of publication: Organometallic Gold(III) Reagents for Cysteine Arylation.
• Authors of publication: Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 23
• Pages of publication: 7065 - 7069
• a: 10.0473 ± 0.0012 Å
• b: 11.3493 ± 0.0014 Å
• c: 17.4404 ± 0.0018 Å
• α: 100.731 ± 0.004°
• β: 103.7 ± 0.004°
• γ: 99.465 ± 0.004°
• Cell volume: 1852.5 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0734
• Weighted residual factors for all reflections included in the refinement: 0.0762
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No