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Information card for entry 8000207
Preview
| Coordinates | 8000207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H27 O S2 |
|---|---|
| Calculated formula | C23 H27 O S2 |
| Title of publication | Structure‒Photoluminescence Correlation for Two Crystalline Polymorphs of a Thiophene‒Phenylene Co-Oligomer with Bulky Terminal Substituents |
| Authors of publication | Nicolini, Tommaso; Famulari, Antonino; Gatti, Teresa; Martí-Rujas, Javier; Villafiorita-Monteleone, Francesca; Canesi, Eleonora V.; Meinardi, Francesco; Botta, Chiara; Parisini, Emilio; Meille, Stefano Valdo; Bertarelli, Chiara |
| Journal of publication | The Journal of Physical Chemistry Letters |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 13 |
| Pages of publication | 2171 |
| a | 10.0773 ± 0.0016 Å |
| b | 12.626 ± 0.002 Å |
| c | 17.705 ± 0.004 Å |
| α | 82.176 ± 0.014° |
| β | 77.112 ± 0.012° |
| γ | 76.89 ± 0.013° |
| Cell volume | 2130 ± 0.7 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1575 |
| Residual factor for significantly intense reflections | 0.089 |
| Weighted residual factors for significantly intense reflections | 0.2615 |
| Weighted residual factors for all reflections included in the refinement | 0.318 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.07 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211175 (current) | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8000207.cif |
| 176728 | 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 8. |
8000207.cif |
| 119227 | 2014-07-05 | cif/ Updating files of 8000206, 8000207 Original log message: Adding full bibliography for 8000206--8000207.cif. |
8000207.cif |
| 116457 | 2014-06-12 | cif/ Adding structures of 8000207 via cif-deposit CGI script. |
8000207.cif |
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