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Information card for entry 7150955
Preview
| Coordinates | 7150955.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C12 H6 Br3 P S3 |
|---|---|
| Calculated formula | C12 H6 Br3 P S3 |
| SMILES | c1(ccc(s1)Br)P(c1ccc(s1)Br)c1ccc(s1)Br |
| Title of publication | 3D-conjugated systems based on oligothiophenes and phosphorus nodes |
| Authors of publication | Leriche, Philippe; Aillerie, David; Roquet, Sophie; Allain, Magali; Cravino, Antonio; Frère, Pierre; Roncali, Jean |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2008 |
| Journal volume | 6 |
| Journal issue | 17 |
| Pages of publication | 3202 - 3207 |
| a | 9.563 ± 0.001 Å |
| b | 9.483 ± 0.001 Å |
| c | 18.527 ± 0.003 Å |
| α | 90° |
| β | 101.93 ± 0.01° |
| γ | 90° |
| Cell volume | 1643.8 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for all reflections included in the refinement | 0.096 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.061 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202017 (current) | 2017-10-14 | cif/ Marking COD entries in range 7 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
7150955.cif |
| 180295 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/09. |
7150955.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7150955.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7150955.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7150955.cif |
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Users of the data should acknowledge the original authors of the
structural data.