Information card for entry 1560018

Structure parameters

• Formula: C35 H35 N2 O P
• Calculated formula: C35 H35 N2 O P
• SMILES: P(c1ccccc1C(O)(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1)(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: 8.9009 ± 0.0006 Å
• b: 10.4501 ± 0.0007 Å
• c: 17.0815 ± 0.0011 Å
• α: 104.343 ± 0.002°
• β: 91.133 ± 0.002°
• γ: 112.507 ± 0.002°
• Cell volume: 1410.37 ± 0.16 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110.03 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No