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Information card for entry 7205932
Preview
| Coordinates | 7205932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C47 H29 Cl3 |
|---|---|
| Calculated formula | C47 H29 Cl3 |
| SMILES | C(Cl)(Cl)Cl.C(=C(c1ccccc1)/c1c2ccc3c4c2c(cc1)ccc4ccc3)(c1ccccc1)/c1c2ccc3c4c2c(cc1)ccc4ccc3 |
| Title of publication | Pyrene-substituted ethenes: aggregation-enhanced excimer emission and highly efficient electroluminescence |
| Authors of publication | Zhao, Zujin; Chen, Shuming; Lam, Jacky W. Y.; Wang, Zhiming; Lu, Ping; Mahtab, Faisal; Sung, Herman H. Y.; Williams, Ian D.; Ma, Yuguang; Kwok, Hoi Sing; Tang, Ben Zhong |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2011 |
| Journal volume | 21 |
| Journal issue | 20 |
| Pages of publication | 7210 |
| a | 8.7695 ± 0.0006 Å |
| b | 13.3414 ± 0.0011 Å |
| c | 15.9829 ± 0.0011 Å |
| α | 77.119 ± 0.008° |
| β | 89.166 ± 0.006° |
| γ | 71.187 ± 0.006° |
| Cell volume | 1722.2 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0875 |
| Residual factor for significantly intense reflections | 0.0747 |
| Weighted residual factors for significantly intense reflections | 0.197 |
| Weighted residual factors for all reflections included in the refinement | 0.2066 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
7205932.cif |
| 180390 | 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 7/20/59. |
7205932.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205932.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205932.cif |
| 21234 | 2011-06-21 | ../uploads/cif-deposit/cod/cif Adding structures of 7205931, 7205932 via cif-deposit CGI script. |
7205932.cif |
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