Information card for entry 2221688
Chemical name |
Diethyl 4-(4,5-dihydrofuran-2-yl)-3,5-dimethyl-1-phenyl-1,4-\ dihydropyrazine-2,6-dicarboxylate |
Formula |
C22 H26 N2 O5 |
Calculated formula |
C22 H26 N2 O5 |
SMILES |
CCOC(=O)c1c(C)n(C2=CCCO2)c(c(n1c1ccccc1)C(=O)OCC)C |
Title of publication |
Diethyl 4-(4,5-dihydrofuran-2-yl)-3,5-dimethyl-1-phenyl-1,4-dihydropyrazine-2,6-dicarboxylate |
Authors of publication |
He, Jing-Yu; Tan, Zhi-Lin; Yan, Hong |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2009 |
Journal volume |
65 |
Journal issue |
5 |
Pages of publication |
o1129 |
a |
10.069 ± 0.002 Å |
b |
10.242 ± 0.002 Å |
c |
12.519 ± 0.003 Å |
α |
72.37 ± 0.03° |
β |
77.59 ± 0.03° |
γ |
63.76 ± 0.03° |
Cell volume |
1098.6 ± 0.5 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 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 |
0.1405 |
Residual factor for significantly intense reflections |
0.0591 |
Weighted residual factors for significantly intense reflections |
0.1532 |
Weighted residual factors for all reflections included in the refinement |
0.1824 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.84 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
Yes |
Has Fobs |
Yes |
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https://www.crystallography.net/2221688.html