Information card for entry 2230743
Chemical name |
Diethyl 4-[5-(biphenyl-4-yl)-1<i>H</i>-pyrazol-4-yl]-2,6-dimethyl- 1,4-dihydropyridine-3,5-dicarboxylate ethanol monosolvate |
Formula |
C30 H35 N3 O5 |
Calculated formula |
C30 H35 N3 O5 |
SMILES |
O=C(OCC)C1=C(NC(=C(C1c1c([nH]nc1)c1ccc(c2ccccc2)cc1)C(=O)OCC)C)C.OCC |
Title of publication |
Diethyl 4-[5-(biphenyl-4-yl)-1<i>H</i>-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate ethanol monosolvate |
Authors of publication |
Fun, Hoong-Kun; Hemamalini, Madhukar; Vijesh, A. M.; Isloor, Arun M.; Arulmoli, T. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
7 |
Pages of publication |
o1768 - o1769 |
a |
34.884 ± 0.002 Å |
b |
10.2322 ± 0.0007 Å |
c |
7.8449 ± 0.0006 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2800.2 ± 0.3 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
4 |
Space group number |
33 |
Hermann-Mauguin space group symbol |
P n a 21 |
Hall space group symbol |
P 2c -2n |
Residual factor for all reflections |
0.0592 |
Residual factor for significantly intense reflections |
0.0448 |
Weighted residual factors for significantly intense reflections |
0.1173 |
Weighted residual factors for all reflections included in the refinement |
0.1274 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.042 |
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/2230743.html