Information card for entry 1560022

Structure parameters

• Formula: C34 H29 F3 N O3 P S
• Calculated formula: C34 H29 F3 N O3 P S
• SMILES: [P+]1(c2c(C(c3ccccc3)c3c1cc(N(C)C)cc3)cccc2)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
• 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: 8.9602 ± 0.0005 Å
• b: 11.4072 ± 0.0006 Å
• c: 28.9126 ± 0.0015 Å
• α: 90°
• β: 93.074 ± 0.002°
• γ: 90°
• Cell volume: 2950.9 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.34
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No