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Information card for entry 7103122
Preview
| Coordinates | 7103122.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C26 H23 O4 P S2 |
|---|---|
| Calculated formula | C26 H23 O4 P S2 |
| SMILES | p1(c(c2CCCCc2c1c1scc2OCCOc12)c1scc2OCCOc12)c1ccccc1 |
| Title of publication | Synthesis, electronic properties and electropolymerisation of EDOT-capped sigma3-phospholes. |
| Authors of publication | Lemau de Talancé, Vincent; Hissler, Muriel; Zhang, Ling-Zhi; Kárpáti, Tamás; Nyulászi, László; Caras-Quintero, Dolores; Bäuerle, Peter; Réau, Régis |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2008 |
| Journal issue | 19 |
| Pages of publication | 2200 - 2202 |
| a | 11.081 ± 0.002 Å |
| b | 14.186 ± 0.002 Å |
| c | 15.345 ± 0.003 Å |
| α | 90° |
| β | 104.749 ± 0.007° |
| γ | 90° |
| Cell volume | 2332.7 ± 0.7 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 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 | 0.068 |
| Residual factor for significantly intense reflections | 0.0507 |
| Weighted residual factors for significantly intense reflections | 0.1416 |
| Weighted residual factors for all reflections included in the refinement | 0.157 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71069 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. |
7103122.cif |
| 180133 | 2016-03-26 | cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/31. |
7103122.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7103122.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7103122.cif |
| 31985 | 2012-01-04 | cif/ Canging data item '_diffrn_standards_decay_% none' to '_diffrn_standards_decay_% 0'. |
7103122.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
7103122.cif |
| 903 | 2009-11-23 | cif/ Setting svn:keywords property on those CIFs that did not have them. |
7103122.cif |
| 686 | 2009-04-27 | Depositing 857 CIFs from Chem-Comm-2008. |
7103122.cif |
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Users of the data should acknowledge the original authors of the
structural data.