Information card for entry 2233669
Chemical name |
Diisobutyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate |
Formula |
C25 H35 N O6 |
Calculated formula |
C25 H35 N O6 |
SMILES |
CCOc1cc(ccc1O)C1C(=C(C)NC(=C1C(=O)OCC(C)C)C)C(=O)OCC(C)C |
Title of publication |
Diisobutyl 4-(3-ethoxy-4-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate |
Authors of publication |
Fun, Hoong-Kun; Hemamalini, Madhukar; Reddy, B. Palakshi; Vijayakumar, V.; Sarveswari, S. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2012 |
Journal volume |
68 |
Journal issue |
2 |
Pages of publication |
o287 - o288 |
a |
12.7346 ± 0.0002 Å |
b |
13.118 ± 0.0002 Å |
c |
15.7404 ± 0.0002 Å |
α |
71.766 ± 0.001° |
β |
89.813 ± 0.001° |
γ |
76.15 ± 0.001° |
Cell volume |
2417.5 ± 0.06 Å3 |
Cell temperature |
100 ± 1 K |
Ambient diffraction temperature |
100 ± 1 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 |
0.0688 |
Residual factor for significantly intense reflections |
0.0468 |
Weighted residual factors for significantly intense reflections |
0.1121 |
Weighted residual factors for all reflections included in the refinement |
0.1246 |
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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