Information card for entry 2015647
Common name |
n |
Chemical name |
1-(4,6-diethoxypyrimidin-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-<i>d</i>]pyrimidin-4(1<i>H</i>)-one |
Formula |
C15 H15 N5 O3 S |
Calculated formula |
C15 H15 N5 O3 S |
Title of publication |
1-(4,6-Diethoxypyrimidin-2-yl)-2-thioxo-2,3-dihydropyrido[2,3-<i>d</i>]pyrimidin-4(1<i>H</i>)-one |
Authors of publication |
Xue, Si-Jia; Wang, Qing-Dong; Li, Jing-Zhi |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
11 |
Pages of publication |
o666 - o668 |
a |
9.0543 ± 0.001 Å |
b |
17.884 ± 0.002 Å |
c |
10.3365 ± 0.0012 Å |
α |
90° |
β |
102.84 ± 0.002° |
γ |
90° |
Cell volume |
1631.9 ± 0.3 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.105 |
Residual factor for significantly intense reflections |
0.0508 |
Weighted residual factors for significantly intense reflections |
0.0679 |
Weighted residual factors for all reflections included in the refinement |
0.0811 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.876 |
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/2015647.html