Information card for entry 2221340
Chemical name |
Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate |
Formula |
C19 H23 N O4 |
Calculated formula |
C19 H23 N O4 |
SMILES |
N1C(=C(C(C(=C1C)C(=O)OCC)c1ccccc1)C(=O)OCC)C |
Title of publication |
Diethyl 2,6-dimethyl-4-phenyl-1,4-dihydropyridine-3,5-dicarboxylate |
Authors of publication |
Bai, Ming-Sheng; Chen, Yan-Yun; Niu, Dong-Ling; Peng, Li |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
4 |
Pages of publication |
o799 |
a |
9.7502 ± 0.0012 Å |
b |
7.3854 ± 0.0009 Å |
c |
24.326 ± 0.002 Å |
α |
90° |
β |
92.567 ± 0.001° |
γ |
90° |
Cell volume |
1749.9 ± 0.3 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0794 |
Residual factor for significantly intense reflections |
0.0451 |
Weighted residual factors for significantly intense reflections |
0.1052 |
Weighted residual factors for all reflections included in the refinement |
0.1305 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.011 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2221340.html