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Information card for entry 4506590
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4506590.cif |
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Original paper (by DOI) | HTML |
Chemical name | 2,3,2',3',2''',3''',2'''',3'''',2'''''',3'''''',2''''''',3'''''''-Hexa(ethylenedioxy)-3'',4'''''-(2-ethylhexyl)- 2,2':5',2'':5'',2''':5''',2'''':5'''',2''''':5''''',2'''''':5'''''',2''''''':5'''''''-octithiophene |
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Formula | C36 H46 O4 S4 |
Calculated formula | C36 H46 O4 S4 |
Title of publication | Long-chain 3,4-ethylenedioxythiophene/thiophene oligomers and semiconducting thin films prepared by their electropolymerization. |
Authors of publication | de Silva, K. M. Nalin; Hwang, Euiyong; Serem, Wilson K.; Fronczek, Frank R.; Garno, Jayne C.; Nesterov, Evgueni E. |
Journal of publication | ACS applied materials & interfaces |
Year of publication | 2012 |
Journal volume | 4 |
Journal issue | 10 |
Pages of publication | 5430 - 5441 |
a | 22.433 ± 0.003 Å |
b | 4.9502 ± 0.0005 Å |
c | 16.387 ± 0.002 Å |
α | 90° |
β | 111.351 ± 0.004° |
γ | 90° |
Cell volume | 1694.8 ± 0.4 Å3 |
Cell temperature | 90 K |
Ambient diffraction temperature | 90 K |
Number of distinct elements | 4 |
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 | 0.091 |
Residual factor for significantly intense reflections | 0.056 |
Weighted residual factors for significantly intense reflections | 0.145 |
Weighted residual factors for all reflections included in the refinement | 0.164 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4506590.html
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Users of the data should acknowledge the original authors of the
structural data.