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Information card for entry 4022903
Preview
| Coordinates | 4022903.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C24 H20 N2 O4 S4 |
|---|---|
| Calculated formula | C24 H20 N2 O4 S4 |
| SMILES | s1cccc1/C=N/c1sc(/N=C/c2sc(cc2)c2sccc2)c(c1C(=O)OCC)C(=O)OCC |
| Title of publication | Photophysical, Crystallographic, and Electrochemical Characterization of Symmetric and Unsymmetric Self-Assembled Conjugated Thiopheno Azomethines |
| Authors of publication | Sergio Andrés Pérez Guarín; Marie Bourgeaux; Stéphane Dufresne; W. G. Skene |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2007 |
| Journal volume | 72 |
| Pages of publication | 2631 - 2643 |
| a | 25.36 ± 0.014 Å |
| b | 10.164 ± 0.006 Å |
| c | 9.526 ± 0.005 Å |
| α | 90° |
| β | 91.66 ± 0.03° |
| γ | 90° |
| Cell volume | 2454 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.3798 |
| Residual factor for significantly intense reflections | 0.2229 |
| Weighted residual factors for significantly intense reflections | 0.4734 |
| Weighted residual factors for all reflections included in the refinement | 0.5617 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4022903.cif |
| 178408 | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/29. |
4022903.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4022903.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4022903.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. |
4022903.cif |
| 430 | 2008-07-18 | Adding CIFs from the J-Org-Chem-2002-2003-2007/ deposition. |
4022903.cif |
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Users of the data should acknowledge the original authors of the
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