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Information card for entry 7206058
Preview
| Coordinates | 7206058.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C39 H30 N2 S |
|---|---|
| Calculated formula | C39 H30 N2 S |
| SMILES | s1c(c2n(c3c(n2)c2c(c4c3cccc4)cccc2)c2ccc(cc2)C(C)(C)C)ccc1c1c2c(ccc1)cccc2 |
| Title of publication | Synthesis and characterization of phenanthroimidazole derivatives for applications in organic electroluminescent devices |
| Authors of publication | Zhang, Ying; Lai, Shiu-Lun; Tong, Qing-Xiao; Chan, Mei-Yee; Ng, Tsz-Wai; Wen, Zhi-Chun; Zhang, Guo-Qiang; Lee, Shuit-Tong; Kwong, Hoi-Lun; Lee, Chun-Sing |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2011 |
| Journal volume | 21 |
| Journal issue | 22 |
| Pages of publication | 8206 |
| a | 9.4051 ± 0.0008 Å |
| b | 11.1593 ± 0.001 Å |
| c | 14.825 ± 0.0013 Å |
| α | 106.358 ± 0.001° |
| β | 97.975 ± 0.001° |
| γ | 101.611 ± 0.001° |
| Cell volume | 1430.5 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0497 |
| Residual factor for significantly intense reflections | 0.0427 |
| Weighted residual factors for significantly intense reflections | 0.1212 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7206058.cif |
| 180391 | 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 7/20/60. |
7206058.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7206058.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7206058.cif |
| 21408 | 2011-06-22 | ../uploads/cif-deposit/cod/cif Adding structures of 7206058 via cif-deposit CGI script. |
7206058.cif |
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Users of the data should acknowledge the original authors of the
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