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Information card for entry 7207502
Preview
| Coordinates | 7207502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H6 Cl2 N2 O2 |
|---|---|
| Calculated formula | C18 H6 Cl2 N2 O2 |
| SMILES | c1c(Cl)ccc2c1C(=O)c1c2nc2C(=O)c3cc(ccc3c2n1)Cl |
| Title of publication | Preparation, physical properties and n-type FET characteristics of substituted diindenopyrazinediones and bis(dicyanomethylene) derivatives |
| Authors of publication | Nishida, Jun-ichi; Deno, Hironori; Ichimura, Satoru; Nakagawa, Tomohiro; Yamashita, Yoshiro |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 10 |
| Pages of publication | 4483 |
| a | 6.732 ± 0.01 Å |
| b | 7.648 ± 0.013 Å |
| c | 13.372 ± 0.019 Å |
| α | 90° |
| β | 94.23 ± 0.06° |
| γ | 90° |
| Cell volume | 686.6 ± 1.8 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 | 0.0572 |
| Weighted residual factors for all reflections included in the refinement | 0.1448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207502.cif |
| 180406 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/75. |
7207502.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207502.cif |
| 37709 | 2012-03-04 | ../uploads/cif-deposit/cod/cif Adding structures of 7207502, 7207503 via cif-deposit CGI script. |
7207502.cif |
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Users of the data should acknowledge the original authors of the
structural data.