Information card for entry 2238400
Chemical name |
5-[1-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-oxopropyl]-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione |
Formula |
C15 H18 N4 O7 |
Calculated formula |
C15 H18 N4 O7 |
SMILES |
CN1C(=O)C(C(=O)N(C1=O)C)C(C1C(=O)N(C)C(=O)N(C1=O)C)C(=O)C |
Title of publication |
5-[1-(1,3-Dimethyl-2,4,6-trioxohexahydropyrimidin-5-yl)-2-oxopropyl]-1,3-dimethylpyrimidine-2,4,6(1<i>H</i>,3<i>H</i>,5<i>H</i>)-trione |
Authors of publication |
Sweidan, Kamal; Steimann, Manfred |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2013 |
Journal volume |
69 |
Journal issue |
8 |
Pages of publication |
o1334 |
a |
9.253 ± 0.002 Å |
b |
13.179 ± 0.003 Å |
c |
13.36 ± 0.003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1629.2 ± 0.6 Å3 |
Cell temperature |
213 ± 2 K |
Ambient diffraction temperature |
213 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0949 |
Residual factor for significantly intense reflections |
0.0434 |
Weighted residual factors for significantly intense reflections |
0.0831 |
Weighted residual factors for all reflections included in the refinement |
0.0988 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.069 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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The link is:
https://www.crystallography.net/2238400.html