Information card for entry 2211659
| Common name |
5-(2-Methoxycarbonyl-1-methyl-vinylcarbamoyl) -2,6-dimethyl-4-(3-nitro-phenyl)-1,4- dihydropyridine-3-carboxylic acid methyl ester water solvate |
| Chemical name |
Methyl 5-[N-(2-methoxycarbonyl-1-methylvinyl)carbamoyl]-2,6-dimethyl- 4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate monohydrate |
| Formula |
C21 H25 N3 O8 |
| Calculated formula |
C21 H25 N3 O8 |
| Title of publication |
Methyl 5-[<i>N</i>-(2-methoxycarbonyl-1-methylvinyl)carbamoyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate monohydrate |
| Authors of publication |
Sun, Feng-Xia; Yu, Yi-Feng; Wang, Shuai; Xing, Cui-Juan |
| Journal of publication |
Acta Crystallographica Section E |
| Year of publication |
2006 |
| Journal volume |
62 |
| Journal issue |
12 |
| Pages of publication |
o5379 - o5380 |
| a |
7.872 ± 0.005 Å |
| b |
11.8 ± 0.007 Å |
| c |
12.277 ± 0.007 Å |
| α |
90.238 ± 0.01° |
| β |
91.757 ± 0.01° |
| γ |
108.391 ± 0.009° |
| Cell volume |
1081.5 ± 1.1 Å3 |
| Cell temperature |
294 ± 2 K |
| Ambient diffraction temperature |
294 ± 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 |
0.0922 |
| Residual factor for significantly intense reflections |
0.0482 |
| Weighted residual factors for significantly intense reflections |
0.1138 |
| Weighted residual factors for all reflections included in the refinement |
0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.037 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2211659.html
