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Information card for entry 4508773
Preview
| Coordinates | 4508773.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H14 N2 O2 |
|---|---|
| Calculated formula | C20 H14 N2 O2 |
| SMILES | C(=C\c1ccc2cccc(c2n1)O)/c1ccc2cccnc2c1O |
| Title of publication | Synthesis, Crystal Structure, and Prediction of Hole Mobilities of 2,7‘-Ethylenebis(8-hydroxyquinoline) |
| Authors of publication | Zeng, He-Ping; OuYang, Xin-Hua; Wang, Ting-Ting; Yuan, Guo-Zan; Zhang, Guang-Hui; Zhang, Xin-min |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2006 |
| Journal volume | 6 |
| Journal issue | 7 |
| Pages of publication | 1697 |
| a | 7.473 ± 0.001 Å |
| b | 8.3233 ± 0.0011 Å |
| c | 13.1239 ± 0.0017 Å |
| α | 102.054 ± 0.002° |
| β | 95.03 ± 0.002° |
| γ | 109.753 ± 0.002° |
| Cell volume | 740.15 ± 0.17 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0656 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1122 |
| Weighted residual factors for all reflections included in the refinement | 0.1308 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.022 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301842 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure. |
4508773.cif |
| 179623 | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/87. |
4508773.cif |
| 96921 | 2014-01-29 | cif/ Adding structures of 4508773 via cif-deposit CGI script. |
4508773.cif |
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Users of the data should acknowledge the original authors of the
structural data.