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Information card for entry 1504393
Preview
| Coordinates | 1504393.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C56 H34 S2 |
|---|---|
| Calculated formula | C56 H34 S2 |
| SMILES | s1c(ccc1c1sc(cc1)c1c(c(c(c(c1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)C#Cc1ccc2ccc3cccc4ccc1c2c34 |
| Title of publication | Unsymmetrical Dendrimers as Highly Efficient Light-Emitting Materials: Synthesis, Photophysics, and Electroluminescence |
| Authors of publication | Zhang, Hengjun; Xu, Xinjun; Qiu, Wenfeng; Qi, Ting; Gao, Xike; Liu, Ying; Lu, Kun; Du, Chunyan; Yu, Gui; Liu, Yunqi |
| Journal of publication | Journal of Physical Chemistry C |
| Year of publication | 2008 |
| Journal volume | 112 |
| Journal issue | 34 |
| Pages of publication | 13258 |
| a | 11.3233 ± 0.0015 Å |
| b | 12.086 ± 0.0017 Å |
| c | 15.497 ± 0.002 Å |
| α | 79.217 ± 0.006° |
| β | 77.259 ± 0.006° |
| γ | 75.312 ± 0.006° |
| Cell volume | 1981.6 ± 0.5 Å3 |
| Cell temperature | 113 ± 2 K |
| Ambient diffraction temperature | 113 ± 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 | 0.0534 |
| Residual factor for significantly intense reflections | 0.0405 |
| Weighted residual factors for significantly intense reflections | 0.0962 |
| Weighted residual factors for all reflections included in the refinement | 0.103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1504393.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1504393.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1504393.cif |
| 42009 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 1504392, 1504393 via cif-deposit CGI script. |
1504393.cif |
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