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Information card for entry 7205188
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Coordinates | 7205188.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | 1,4-bis(2-(1-(2-amino-2-oxoethyl)-pyridinium-4-yl)vinyl)benzene dichloride |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7205188.html
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Users of the data should acknowledge the original authors of the
structural data.