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Information card for entry 7207295
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Coordinates | 7207295.cif |
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Original paper (by DOI) | HTML |
Chemical name | (Z)-1, 2-bis(dibenzo[b,d]thiophen-2-yl)ethene |
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Formula | C26 H16 S2 |
Calculated formula | C26 H16 S2 |
SMILES | c12ccccc1c1c(ccc(c1)/C=C/c1ccc3c(c4c(cccc4)s3)c1)s2 |
Title of publication | Synthesis, experimental and theoretical characterization, and field-effect transistor properties of a new class of dibenzothiophene derivatives: From linear to cyclic architectures |
Authors of publication | Qiao, Yali; Wei, Zhongming; Risko, Chad; Li, Hong; Brédas, Jean-Luc; Xu, Wei; Zhu, Daoben |
Journal of publication | Journal of Materials Chemistry |
Year of publication | 2012 |
Journal volume | 22 |
Journal issue | 4 |
Pages of publication | 1313 |
a | 18.924 ± 0.004 Å |
b | 6.2925 ± 0.0013 Å |
c | 7.9164 ± 0.0016 Å |
α | 90° |
β | 99.48 ± 0.03° |
γ | 90° |
Cell volume | 929.8 ± 0.3 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 13 |
Hermann-Mauguin space group symbol | P 1 2/c 1 |
Hall space group symbol | -P 2yc |
Residual factor for all reflections | 0.0879 |
Residual factor for significantly intense reflections | 0.0706 |
Weighted residual factors for significantly intense reflections | 0.1345 |
Weighted residual factors for all reflections included in the refinement | 0.1423 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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