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Information card for entry 7054571
Preview
| Coordinates | 7054571.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H34 O4 S4 |
|---|---|
| Calculated formula | C24 H34 O4 S4 |
| SMILES | c1(c2c(c(s1)SCCCCCC)OCCO2)c1c2c(c(s1)SCCCCCC)OCCO2 |
| Title of publication | Bis-EDOT end capped by n-hexyl or n-hexylsulfanyl groups: the effect of the substituents on the stability of the oxidized states |
| Authors of publication | Turbiez, Mathieu; Faye, Djibril; Leriche, Philippe; Frère, Pierre |
| Journal of publication | New J. Chem. |
| Year of publication | 2015 |
| Journal volume | 39 |
| Journal issue | 3 |
| Pages of publication | 1678 |
| a | 4.919 ± 0.002 Å |
| b | 7.285 ± 0.001 Å |
| c | 18.574 ± 0.002 Å |
| α | 84.19 ± 0.01° |
| β | 86.42 ± 0.01° |
| γ | 84.08 ± 0.02° |
| Cell volume | 657.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0838 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.1763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| 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 |
|---|---|---|---|
| 180099 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/45. |
7054571.cif |
| 133463 | 2015-03-06 | cif/ Updating files of 7054571 Original log message: Adding full bibliography for 7054571.cif. |
7054571.cif |
| 127967 | 2014-11-28 | cif/ Adding structures of 7054571 via cif-deposit CGI script. |
7054571.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
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Users of the data should acknowledge the original authors of the
structural data.