Information card for entry 4134183

Structure parameters

• Formula: C38 H25 Au Cl2 O3 P2
• Calculated formula: C38 H25 Au Cl2 O3 P2
• SMILES: [P]([Au]Cl)(c1ccccc1)(c1ccccc1)c1ccccc1c1c2O[P@@](=O)(Oc3c(c2c2ccccc2c1)c1c(cc3)cccc1)Cl
• Title of publication: Tethered Counterion-Directed Catalysis: Merging the Chiral Ion-Pairing and Bifunctional Ligand Strategies in Enantioselective Gold(I) Catalysis.
• Authors of publication: Zhang, Zhenhao; Smal, Vitalii; Retailleau, Pascal; Voituriez, Arnaud; Frison, Gilles; Marinetti, Angela; Guinchard, Xavier
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 8
• Pages of publication: 3797 - 3805
• a: 11.26267 ± 0.00018 Å
• b: 19.0781 ± 0.0004 Å
• c: 31.7278 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6817.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No