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Information card for entry 1502772
Preview
| Coordinates | 1502772.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C26 H20 N2 O S2 |
|---|---|
| Calculated formula | C26 H20 N2 O S2 |
| SMILES | s1c(C)ccc1c1c2nsnc2c(cc1)c1ccc(OCc2ccc(cc2)C=C)cc1 |
| Title of publication | Benzothiadiazole-Containing Pendant Polymers Prepared by RAFT and Their Electro-Optical Properties |
| Authors of publication | Häussler, Matthias; Lok, Y. Phei; Chen, Ming; Jasieniak, Jacek; Adhikari, Raju; King, Simon P.; Haque, Saif A.; Forsyth, Craig M.; Winzenberg, Kevin; Watkins, Scott E.; Rizzardo, Ezio; Wilson, Gerard J. |
| Journal of publication | Macromolecules |
| Year of publication | 2010 |
| Journal volume | 43 |
| Journal issue | 17 |
| Pages of publication | 7101 |
| a | 17.0896 ± 0.0004 Å |
| b | 7.5023 ± 0.0001 Å |
| c | 16.288 ± 0.0003 Å |
| α | 90° |
| β | 100.417 ± 0.001° |
| γ | 90° |
| Cell volume | 2053.89 ± 0.07 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1042 |
| Residual factor for significantly intense reflections | 0.0564 |
| Weighted residual factors for significantly intense reflections | 0.1281 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71073 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. |
1502772.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. |
1502772.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1502772.cif |
| 36734 | 2012-03-01 | ../uploads/cif-deposit/cod/cif Adding structures of 1502772 via cif-deposit CGI script. |
1502772.cif |
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Users of the data should acknowledge the original authors of the
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