Information card for entry 1558537

Structure parameters

• Formula: C18 H16 Br2 O2 Te
• Calculated formula: C18 H16 Br2 O2 Te
• SMILES: [Te]1(Br)(Br)C(=CC=C1c1ccccc1OC)c1ccccc1OC
• Title of publication: Tellurophene-containing π-conjugated polymers with unique heteroatom‒heteroatom interactions by post-element-transformation of an organotitanium polymer
• Authors of publication: Nishiyama, Hiroki; Zheng, Feng; Inagi, Shinsuke; Fueno, Hiroyuki; Tanaka, Kazuyoshi; Tomita, Ikuyoshi
• Journal of publication: Polymer Chemistry
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 29
• Pages of publication: 4693 - 4698
• a: 9.6046 ± 0.0009 Å
• b: 10.539 ± 0.001 Å
• c: 19.635 ± 0.002 Å
• α: 99.405 ± 0.003°
• β: 103.196 ± 0.003°
• γ: 102.209 ± 0.004°
• Cell volume: 1843.9 ± 0.3 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1255
• Weighted residual factors for all reflections included in the refinement: 0.3573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.887
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No