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Information card for entry 4000969
Preview
| Coordinates | 4000969.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H18 F4 N2 O4 |
|---|---|
| Calculated formula | C30 H18 F4 N2 O4 |
| SMILES | Fc1cc(CCN2C(=O)c3ccc4c5c3c(C2=O)ccc5C(=O)N(C4=O)CCc2cc(F)cc(c2)F)cc(c1)F |
| Title of publication | Low-Temperature-Processible, Transparent, and Air-Operable n-Channel Fluorinated Phenylethylated Naphthalenetetracarboxylic Diimide Semiconductors Applied to Flexible Transistors |
| Authors of publication | Jung, Byung Jun; Sun, Jia; Lee, Taegweon; Sarjeant, Amy; Katz, Howard E. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2009 |
| Journal volume | 21 |
| Journal issue | 1 |
| Pages of publication | 94 |
| a | 6.622 ± 0.0001 Å |
| b | 22.2242 ± 0.0004 Å |
| c | 7.8567 ± 0.0002 Å |
| α | 90° |
| β | 92.006 ± 0.002° |
| γ | 90° |
| Cell volume | 1155.55 ± 0.04 Å3 |
| Cell temperature | 110 K |
| Ambient diffraction temperature | 110 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 all reflections | 0.0559 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.1053 |
| Weighted residual factors for all reflections included in the refinement | 0.1156 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301811 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 4/00/ Each referenced PubChem compound corresponds to the full crystal structure. |
4000969.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4000969.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000969.cif |
| 38851 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4000969 via cif-deposit CGI script. |
4000969.cif |
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Users of the data should acknowledge the original authors of the
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