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Information card for entry 1506867
Preview
| Coordinates | 1506867.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C26 H32 Br2 |
|---|---|
| Calculated formula | C26 H32 Br2 |
| SMILES | c1(c2c(ccc(c2)Br)c2c1cc(cc2)Br)=C(CCCCCC)CCCCCC |
| Title of publication | Alkylidene Fluorene Liquid Crystalline Semiconducting Polymers for Organic Field Effect Transistor Devices |
| Authors of publication | Heeney, Martin; Bailey, Clare; Giles, Mark; Shkunov, Maxim; Sparrowe, David; Tierney, Steve; Zhang, Weimin; McCulloch, Iain |
| Journal of publication | Macromolecules |
| Year of publication | 2004 |
| Journal volume | 37 |
| Journal issue | 14 |
| Pages of publication | 5250 |
| a | 22.4112 ± 0.0003 Å |
| b | 4.59 Å |
| c | 24.6403 ± 0.0003 Å |
| α | 90° |
| β | 113.19 ± 0.001° |
| γ | 90° |
| Cell volume | 2329.89 ± 0.05 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| Residual factor for all reflections | 0.0345 |
| Residual factor for significantly intense reflections | 0.0272 |
| Weighted residual factors for significantly intense reflections | 0.0663 |
| Weighted residual factors for all reflections included in the refinement | 0.0699 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1506867.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. |
1506867.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506867.cif |
| 51505 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1506867 via cif-deposit CGI script. |
1506867.cif |
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Users of the data should acknowledge the original authors of the
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