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Information card for entry 4002968
Preview
Coordinates | 4002968.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H10 Se4 |
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Calculated formula | C12 H10 Se4 |
SMILES | c12c(c(c[se]1)[Se]C)cc1c(c2)c(c[se]1)[Se]C |
Title of publication | Selenium-Substituted β-Methylthiobenzo[1,2-b:4,5-b′]dithiophenes: Synthesis, Packing Structure, and Transport Properties |
Authors of publication | Takenaka, Hiroyuki; Ogaki, Takuya; Wang, Chengyuan; Kawabata, Kohsuke; Takimiya, Kazuo |
Journal of publication | Chemistry of Materials |
Year of publication | 2019 |
Journal volume | 31 |
Journal issue | 17 |
Pages of publication | 6696 |
a | 8.60863 ± 0.00016 Å |
b | 14.2697 ± 0.0003 Å |
c | 5.32468 ± 0.0001 Å |
α | 90° |
β | 100.651 ± 0.0007° |
γ | 90° |
Cell volume | 642.83 ± 0.02 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0347 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0767 |
Weighted residual factors for all reflections included in the refinement | 0.0779 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.097 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4002968.html
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