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Information card for entry 4506590
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| Coordinates | 4506590.cif |
|---|---|
| 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 |
|---|---|
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179601 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/65. |
4506590.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4506590.cif |
| 71424 | 2013-01-19 | cif/ Correcting misattributed bibliographies in the CIFs deposited yesterday by me. |
4506590.cif |
| 71384 | 2013-01-18 | cif/ Adding structures of 4506590 via cif-deposit CGI script. |
4506590.cif |
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Users of the data should acknowledge the original authors of the
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