Information card for entry 4129895

Structure parameters

• Formula: C16 H2 Br2 F10 Te
• Calculated formula: C16 H2 Br2 F10 Te
• SMILES: C1=C(c2c(F)c(c(c(c2F)F)F)F)[Te](Br)(C(=C1)c1c(c(c(c(c1F)F)F)F)F)Br
• Title of publication: A Mechanistic Study of Halogen Addition and Photoelimination from π-Conjugated Tellurophenes.
• Authors of publication: Carrera, Elisa I.; Lanterna, Anabel E.; Lough, Alan J.; Scaiano, Juan C.; Seferos, Dwight S.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 8
• Pages of publication: 2678 - 2689
• a: 18.1548 ± 0.0011 Å
• b: 10.5369 ± 0.0007 Å
• c: 9.3957 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1797.35 ± 0.19 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0422
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No