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Information card for entry 7205188
Preview
| Coordinates | 7205188.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 1,4-bis(2-(1-(2-amino-2-oxoethyl)-pyridinium-4-yl)vinyl)benzene dichloride |
|---|---|
| Chemical name | 1,4-bis(2-[1-(2-amino-2-oxoethyl)-pyridinium-4-yl]vinyl)benzene dichloride |
| Formula | C24 H34 Cl2 N4 O7 |
| Calculated formula | C24 H34 Cl2 N4 O7 |
| SMILES | c1cc(cc[n+]1CC(=O)N)/C=C/c1ccc(/C=C/c2cc[n+](cc2)CC(=O)N)cc1.O.[Cl-].O.O.O.O.[Cl-] |
| Title of publication | Luminescence induced by strong cation–anion π–π interactions in crystals of viologen analogues |
| Authors of publication | Gutov, Oleksii V.; Rusanov, Eduard B.; Kudryavtsev, Alexey A.; Garasevych, Sergey G.; Slobodyanyuk, Olexandr V.; Yashchuk, Valerii M.; Chernega, Alexander N. |
| Journal of publication | CrystEngComm |
| Year of publication | 2011 |
| Journal volume | 13 |
| Journal issue | 5 |
| Pages of publication | 1373 |
| a | 19.0114 ± 0.0011 Å |
| b | 4.9005 ± 0.0004 Å |
| c | 31.062 ± 0.002 Å |
| α | 90° |
| β | 103.635 ± 0.005° |
| γ | 90° |
| Cell volume | 2812.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.1039 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1211 |
| Weighted residual factors for all reflections included in the refinement | 0.1467 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7205188.cif |
| 180382 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/51. |
7205188.cif |
| 171654 | 2015-12-20 | cod/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_common tag values in multiple entries in ranges 7, 8. |
7205188.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7205188.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7205188.cif |
| 14569 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7205188, 7205189, 7205190, 7205191, 7205192, 7205193 via cif-deposit CGI script. |
7205188.cif |
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