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Information card for entry 7106519
Preview
| Coordinates | 7106519.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C26 H16 O2 S2 |
|---|---|
| Calculated formula | C26 H16 O2 S2 |
| SMILES | s1c2c3c4c5c(ccc4)c(OC)c(OC)c4c5c(ccc4)c3c3sccc3c2cc1 |
| Title of publication | Asymmetric pyrene derivatives for organic field-effect transistors |
| Authors of publication | Lukas Zophel; Dirk Beckmann; Volker Enkelmann; Dennis Chercka; Ralph Rieger; Klaus Mullen |
| Journal of publication | Chem.Commun. |
| Year of publication | 2011 |
| Journal volume | 47 |
| Pages of publication | 6960 |
| a | 46.72 ± 0.001 Å |
| b | 4.2924 ± 0.0001 Å |
| c | 18.906 ± 0.0007 Å |
| α | 90° |
| β | 101.003 ± 0.0015° |
| γ | 90° |
| Cell volume | 3721.74 ± 0.18 Å3 |
| Cell temperature | 120 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0631 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for all reflections | 0.0491 |
| Weighted residual factors for significantly intense reflections | 0.0464 |
| Weighted residual factors for all reflections included in the refinement | 0.0464 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0965 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301853 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
7106519.cif |
| 202017 | 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. |
7106519.cif |
| 180169 | 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 7/10/65. |
7106519.cif |
| 106664 | 2014-03-15 | cif/ (saulius@koala.ibt.lt) Adding DOIs to the rest of the Chem. Comm. files. Some of these files have author names differing from PubMed in diacritics (either diacritics are omitted or we have encoding problems); or they have a year difference of 1. However, since first pages always match and author names are variants of each other, I assume that DOIs are assigned correctly. |
7106519.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7106519.cif |
| 20818 | 2011-06-14 | ../uploads/cif-deposit/cod/cif Adding structures of 7106519, 7106520, 7106521 via cif-deposit CGI script. |
7106519.cif |
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Users of the data should acknowledge the original authors of the
structural data.