Information card for entry 4132456

Structure parameters

• Formula: C36 H49 Au Cl F6 N P Sb
• Calculated formula: C36 H49 Au Cl F6 N P Sb
• SMILES: [Au]1([P](c2ccccc2[N]1(C)C)(C12CC3CC(CC(C3)C1)C2)C12CC3CC(C1)CC(C2)C3)(Cl)c1ccc(CC)cc1.[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: 9.8814 ± 0.0003 Å
• b: 11.6523 ± 0.0004 Å
• c: 16.7557 ± 0.0005 Å
• α: 108.751 ± 0.001°
• β: 103.739 ± 0.001°
• γ: 94.839 ± 0.001°
• Cell volume: 1747.31 ± 0.1 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: 0.0286
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0626
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No