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Information card for entry 1558890
Preview
| Coordinates | 1558890.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C34 H29 N3 O4 |
|---|---|
| Calculated formula | C34 H29 N3 O4 |
| SMILES | O=C1N(C(=O)c2ccc3c4ccc5C(=O)N(C(=O)c6cc7[nH]c8cc1c2c3c8c7c4c56)C(CC)CC)C(CC)CC |
| Title of publication | Acid dyeing for green solvent processing of solvent resistant semiconducting organic thin films |
| Authors of publication | Harding, Cayley R.; Cann, Jonathan; Laventure, Audrey; Sadeghianlemraski, Mozhgan; Abd-Ellah, Marwa; Rao, Keerthan R.; Gelfand, Benjamin Sidney; Aziz, Hany; Kaake, Loren; Risko, Chad; Welch, Gregory C. |
| Journal of publication | Materials Horizons |
| Year of publication | 2020 |
| Journal volume | 7 |
| Journal issue | 11 |
| Pages of publication | 2959 - 2969 |
| a | 18.2166 ± 0.0007 Å |
| b | 18.5973 ± 0.001 Å |
| c | 7.8095 ± 0.0002 Å |
| α | 90° |
| β | 97.881 ± 0.002° |
| γ | 90° |
| Cell volume | 2620.71 ± 0.19 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 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 | 0.0639 |
| Residual factor for significantly intense reflections | 0.0581 |
| Weighted residual factors for significantly intense reflections | 0.1587 |
| Weighted residual factors for all reflections included in the refinement | 0.1639 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1558890.cif |
| 258996 | 2020-11-06 | cif/ Updating files of 1558890 Original log message: Adding full bibliography for 1558890.cif. |
1558890.cif |
| 255510 | 2020-08-21 | cif/ Adding structures of 1558890 via cif-deposit CGI script. |
1558890.cif |
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Users of the data should acknowledge the original authors of the
structural data.