Information card for entry 2005947
| Chemical name |
ethyl methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridinium-3,5-dicarboxylate nitrate |
| Formula |
C18 H19 N3 O9 |
| Calculated formula |
C20 H25 N3 O12 |
| Title of publication |
3-Ethoxycarbonyl-5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridinium Nitrate, Dineopentyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate and Dihexyl 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate |
| Authors of publication |
Rowan, K. R.; Holt, E. M. |
| Journal of publication |
Acta Crystallographica Section C |
| Year of publication |
1997 |
| Journal volume |
53 |
| Journal issue |
2 |
| Pages of publication |
257 - 261 |
| a |
9.034 ± 0.001 Å |
| b |
10.228 ± 0.001 Å |
| c |
12.392 ± 0.002 Å |
| α |
78.71 ± 0.01° |
| β |
71.05 ± 0.01° |
| γ |
69.4 ± 0.01° |
| Cell volume |
1009.4 ± 0.2 Å3 |
| Cell temperature |
298 K |
| Ambient diffraction temperature |
298 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 significantly intense reflections |
0.0579 |
| Weighted residual factors for significantly intense reflections |
0.1494 |
| Goodness-of-fit parameter for significantly intense reflections |
0.898 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/2005947.html
