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Information card for entry 2020789
Preview
| Coordinates | 2020789.cif |
|---|---|
| Structure factors | 2020789.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (<i>Z</i>)-2-(2-Phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one |
|---|---|
| Formula | C18 H12 N2 O |
| Calculated formula | C18 H12 N2 O |
| SMILES | O=C1c2c3c(cccc3ccc2)/C1=N/Nc1ccccc1 |
| Title of publication | Optical properties of (<i>Z</i>)-2-(2-phenylhydrazinylidene)acenaphthen-1(2<i>H</i>)-one: a potential electron donor in organic solar cells |
| Authors of publication | Su, Yan-Xiao; Zhang, Chao-Zhi; Song, Ming-Xia |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2017 |
| Journal volume | 73 |
| Journal issue | 6 |
| Pages of publication | 458 - 463 |
| a | 13.304 ± 0.0011 Å |
| b | 5.1796 ± 0.0004 Å |
| c | 19.6396 ± 0.0018 Å |
| α | 90° |
| β | 95.143 ± 0.001° |
| γ | 90° |
| Cell volume | 1347.9 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 | 0.1373 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0937 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301801 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/02 Each referenced PubChem compound corresponds to the full crystal structure. |
2020789.cif 2020789.hkl |
| 199080 | 2017-07-25 | cif/ hkl/ Adding structures of 2020789 via cif-deposit CGI script. |
2020789.cif 2020789.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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.
Users of the data should acknowledge the original authors of the
structural data.