Information card for entry 4336941

Structure parameters

• Formula: C16 H12 Cl2 Te
• Calculated formula: C16 H12 Cl2 Te
• SMILES: [Te]1(Cl)(Cl)C(=CC=C1c1ccccc1)c1ccccc1
• Title of publication: Thermal and Photoreductive Elimination from the Tellurium Center of π-Conjugated Tellurophenes
• Authors of publication: Elisa I. Carrera; Theresa M. McCormick; Marius J. Kapp; Alan J. Lough; Dwight S. Seferos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 13779 - 13790
• a: 7.4877 ± 0.0003 Å
• b: 21.0835 ± 0.0009 Å
• c: 9.3737 ± 0.0004 Å
• α: 90°
• β: 92.086 ± 0.002°
• γ: 90°
• Cell volume: 1478.82 ± 0.11 ų
• Cell temperature: 147 ± 2 K
• Ambient diffraction temperature: 147 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0246
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0613
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No