Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1515630
Preview
| Coordinates | 1515630.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H21 Cl3 |
|---|---|
| Calculated formula | C30 H21 Cl3 |
| SMILES | ClC(=C\c1cc(/C=C(/c2ccccc2)Cl)cc(c1)/C=C(/c1ccccc1)Cl)/c1ccccc1 |
| Title of publication | A new polymerisation route to conjugated polymers: regio- and stereoselective synthesis of linear and hyperbranched poly(arylene chlorovinylene)s by decarbonylative polyaddition of aroyl chlorides and alkynes |
| Authors of publication | Liu, Jianzhao; Deng, Chunmei; Tseng, Nai-Wen; Chan, Carrie Y. K.; Yue, Yanan; Ng, Jason C. Y.; Lam, Jacky W. Y.; Wang, Jian; Hong, Yuning; Sung, Herman H. Y.; Williams, Ian D.; Tang, Ben Zhong |
| Journal of publication | Chemical Science |
| Year of publication | 2011 |
| Journal volume | 2 |
| Journal issue | 9 |
| Pages of publication | 1850 |
| a | 24.8014 ± 0.0016 Å |
| b | 24.8014 ± 0.0016 Å |
| c | 6.835 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3641 ± 0.6 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor for all reflections | 0.0357 |
| Residual factor for significantly intense reflections | 0.0344 |
| Weighted residual factors for significantly intense reflections | 0.0828 |
| Weighted residual factors for all reflections included in the refinement | 0.0834 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1515630.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. |
1515630.cif |
| 111889 | 2014-04-28 | cif/ Adding structures of 1515629, 1515630 via cif-deposit CGI script. |
1515630.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.