Information card for entry 1560021

Structure parameters

• Chemical name: C33H25F3NO3PS
• Formula: C33 H25 F3 N O3 P S
• Calculated formula: C33 H25 F3 N O3 P S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.P(c1c(cccc1)c1c2ccccc2[n+](c2c1cccc2)C)(c1ccccc1)c1ccccc1
• Title of publication: Ligand-enforced intimacy between a gold cation and a carbenium ion: impact on stability and reactivity
• Authors of publication: Litle, Elishua D.; Wilkins, Lewis C.; Gabbaï, François P.
• Journal of publication: Chemical Science
• Year of publication: 2021
• Journal volume: 12
• Journal issue: 11
• Pages of publication: 3929 - 3936
• a: 8.0035 ± 0.0007 Å
• b: 27.389 ± 0.002 Å
• c: 12.6664 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2776.6 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.097
• Weighted residual factors for all reflections included in the refinement: 0.1003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No