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Information card for entry 4507441
Preview
| Coordinates | 4507441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 3,10-DPhDNTT |
|---|---|
| Chemical name | 3,10-DPhDNTT |
| Formula | C34 H20 S2 |
| Calculated formula | C34 H20 S2 |
| SMILES | c12c(c3c(c4c(s3)cc3c(c4)cc(cc3)c3ccccc3)s1)cc1cc(ccc1c2)c1ccccc1 |
| Title of publication | Diphenyl Derivatives of Dinaphtho[2,3-b:2',3'-f]thieno[3,2-b]thiophene: Organic Semiconductors for Thermally Stable Thin-Film Transistors. |
| Authors of publication | Kang, Myeong Jin; Miyazaki, Eigo; Osaka, Itaru; Takimiya, Kazuo; Nakao, Akiko |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2013 |
| Journal volume | 5 |
| Journal issue | 7 |
| Pages of publication | 2331 - 2336 |
| a | 6.9888 ± 0.0003 Å |
| b | 46.665 ± 0.009 Å |
| c | 7.18 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2341.6 ± 0.5 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0698 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.1608 |
| Weighted residual factors for all reflections included in the refinement | 0.1651 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.338 |
| Diffraction radiation wavelength | 1 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4507441.cif |
| 179610 | 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 4/50/74. |
4507441.cif |
| 85509 | 2013-05-07 | cif/ Adding structures of 4507440, 4507441 via cif-deposit CGI script. |
4507441.cif |
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Users of the data should acknowledge the original authors of the
structural data.