Information card for entry 4129897

Structure parameters

• Formula: C24 H28 Br2 O2 Te
• Calculated formula: C24 H28 Br2 O2 Te
• SMILES: [Te]1(C(=CC=C1c1ccc(cc1)OC(C)(C)C)c1ccc(cc1)OC(C)(C)C)(Br)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: 34.193 ± 0.003 Å
• b: 10.0162 ± 0.0008 Å
• c: 6.9968 ± 0.0006 Å
• α: 90°
• β: 100.07 ± 0.003°
• γ: 90°
• Cell volume: 2359.4 ± 0.3 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.033
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0439
• Weighted residual factors for all reflections included in the refinement: 0.0471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No