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Information card for entry 1505124
Preview
| Coordinates | 1505124.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C70 H100 F10 O4 |
|---|---|
| Calculated formula | C70 H100 F10 O4 |
| SMILES | CCCCCCCCCCCCOc1c(OCCCCCCCCCCCC)c(C#Cc2c(F)c(F)c(c(c2F)F)F)c(c(c1C#Cc1c(F)c(F)c(c(c1F)F)F)OCCCCCCCCCCCC)OCCCCCCCCCCCC |
| Title of publication | Alternating Arene−Perfluoroarene Poly(phenylene ethynylenes) |
| Authors of publication | Woody, Kathy B.; Bullock, Joseph E.; Parkin, Sean R.; Watson, Mark D. |
| Journal of publication | Macromolecules |
| Year of publication | 2007 |
| Journal volume | 40 |
| Journal issue | 13 |
| Pages of publication | 4470 |
| a | 7.476 ± 0.0001 Å |
| b | 10.075 ± 0.0001 Å |
| c | 21.871 ± 0.0003 Å |
| α | 92.96 ± 0.0005° |
| β | 96.22 ± 0.0005° |
| γ | 94.345 ± 0.0005° |
| Cell volume | 1629.96 ± 0.04 Å3 |
| Cell temperature | 90 ± 2 K |
| Ambient diffraction temperature | 90 ± 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 | 0.0608 |
| Residual factor for significantly intense reflections | 0.0429 |
| Weighted residual factors for significantly intense reflections | 0.1205 |
| Weighted residual factors for all reflections included in the refinement | 0.1329 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| 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. |
1505124.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. |
1505124.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505124.cif |
| 45364 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505124, 1505125 via cif-deposit CGI script. |
1505124.cif |
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Users of the data should acknowledge the original authors of the
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