Information card for entry 4515686

Structure parameters

• Formula: C57 H53 Au Cl F18 N3 O4 P Sb
• Calculated formula: C57 H53 Au Cl F18 N3 O4 P Sb
• SMILES: [Au](Cl)[P]1(OC([C@H](OC)[C@@H](OC)C(O1)(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)(c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1n(n[n+](c1c1c(cc(cc1C)C)C)C(C)C)c1c(cc(cc1C)C)C.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: TADDOL-Derived Cationic Phosphonites: Toward an Effective Enantioselective Synthesis of [6]Helicenes via Au-Catalyzed Alkyne Hydroarylation
• Authors of publication: Nicholls, Leo D. M.; Marx, Maximilian; Hartung, Thierry; González-Fernández, Elisa; Golz, Christopher; Alcarazo, Manuel
• Journal of publication: ACS Catalysis
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 7
• Pages of publication: 6079
• a: 11.625 ± 0.0008 Å
• b: 21.7951 ± 0.0018 Å
• c: 24.924 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6314.9 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 9
• 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: 0.0684
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No