Information card for entry 4342902

Structure parameters

• Formula: C20 H16 Cl3 F3 O5 S Te
• Calculated formula: C20 H16 Cl3 F3 O5 S Te
• SMILES: [Te]1(OS(=O)(C(F)(F)F)=O)(C(=CC=C1c1ccccc1)c1ccccc1)OC(=O)C.ClC(Cl)Cl
• Title of publication: Te(II)/Te(IV) Mediated C-N Bond Formation on 2,5-Diphenyltellurophene and a Reassignment of the Product from the Reaction of PhI(OAc)2 with 2 TMS-OTf.
• Authors of publication: Aprile, Antonino; Iversen, Kalon J.; Wilson, David J. D.; Dutton, Jason L.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 4934 - 4939
• a: 10.84 ± 0.002 Å
• b: 11.056 ± 0.002 Å
• c: 12.188 ± 0.002 Å
• α: 71.11 ± 0.03°
• β: 75.36 ± 0.03°
• γ: 62.77 ± 0.03°
• Cell volume: 1219.3 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No