Information card for entry 2223455
| Chemical name |
4,4'-Bipyridinium 1,4-phenylenediacetate |
| Formula |
C20 H18 N2 O4 |
| Calculated formula |
C20 H18 N2 O4 |
| SMILES |
C(=O)(Cc1ccc(CC(=O)[O-])cc1)[O-].c1cc(c2cc[nH+]cc2)cc[nH+]1 |
| Title of publication |
4,4'-Bipyridinium 1,4-phenylenediacetate |
| Authors of publication |
Jia, Maomao; Liu, Xianlin; Miao, Jing; Xiong, Wei; Chen, Zilu |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2009 |
| Journal volume |
65 |
| Journal issue |
10 |
| Pages of publication |
o2490 |
| a |
4.579 ± 0.003 Å |
| b |
6.95 ± 0.005 Å |
| c |
13.859 ± 0.01 Å |
| α |
99.618 ± 0.009° |
| β |
93.672 ± 0.009° |
| γ |
97.373 ± 0.008° |
| Cell volume |
429.6 ± 0.5 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 |
0.0812 |
| Residual factor for significantly intense reflections |
0.0583 |
| Weighted residual factors for significantly intense reflections |
0.1712 |
| Weighted residual factors for all reflections included in the refinement |
0.1929 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.072 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2223455.html
