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Information card for entry 4510953
Preview
| Coordinates | 4510953.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H2 I2 O2 S2 |
|---|---|
| Calculated formula | C10 H2 I2 O2 S2 |
| SMILES | c1(cc2c(C(=O)c3cc(I)sc3C2=O)s1)I |
| Title of publication | Novel semiconducting quinone for air-stable n-type organic field-effect transistors. |
| Authors of publication | Mamada, Masashi; Kumaki, Daisuke; Nishida, Jun-ichi; Tokito, Shizuo; Yamashita, Yoshiro |
| Journal of publication | ACS applied materials & interfaces |
| Year of publication | 2010 |
| Journal volume | 2 |
| Journal issue | 5 |
| Pages of publication | 1303 - 1307 |
| a | 4.1677 ± 0.0003 Å |
| b | 6.6755 ± 0.0004 Å |
| c | 21.1858 ± 0.0015 Å |
| α | 90° |
| β | 90.169 ± 0.002° |
| γ | 90° |
| Cell volume | 589.42 ± 0.07 Å3 |
| Cell temperature | 93.1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0465 |
| Weighted residual factors for all reflections included in the refinement | 0.1112 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.243 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4510953.cif |
| 114443 | 2014-05-24 | cif/ Adding structures of 4510952, 4510953 via cif-deposit CGI script. |
4510953.cif |
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Users of the data should acknowledge the original authors of the
structural data.