Information card for entry 7041855

Structure parameters

• Formula: C29 H39 F3 N2 O3 S Te
• Calculated formula: C29 H39 F3 N2 O3 S Te
• SMILES: [Te](c1n(c2c(cccc2C(C)C)C(C)C)cc[n+]1c1c(cccc1C(C)C)C(C)C)C.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: N-Heterocyclic carbene stabilized parent sulfenyl, selenenyl, and tellurenyl cations (XH(+), X = S, Se, Te).
• Authors of publication: Liu, Liu Leo; Zhu, Diya; Cao, Levy L.; Stephan, Douglas W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 3095 - 3099
• a: 16.234 ± 0.002 Å
• b: 17.579 ± 0.003 Å
• c: 21.88 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6244.1 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No