Information card for entry 2229660
Chemical name |
2-Dicyclohexylamino-3-phenyl-5,6-dihydro-8<i>H</i>- thiopyrano[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one |
Formula |
C27 H33 N3 O S2 |
Calculated formula |
C27 H33 N3 O S2 |
SMILES |
s1c2nc(n(c3ccccc3)c(=O)c2c2c1CSCC2)N(C1CCCCC1)C1CCCCC1 |
Title of publication |
2-Dicyclohexylamino-3-phenyl-5,6-dihydro-8<i>H</i>-thiopyrano[4',3':4,5]thieno[2,3-<i>d</i>]pyrimidin-4(3<i>H</i>)-one |
Authors of publication |
Liang, Xizhen; Zhou, Yueming |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
4 |
Pages of publication |
o888 |
a |
10.7118 ± 0.001 Å |
b |
22.601 ± 0.002 Å |
c |
10.924 ± 0.001 Å |
α |
90° |
β |
109.939 ± 0.001° |
γ |
90° |
Cell volume |
2486.1 ± 0.4 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
5 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0527 |
Residual factor for significantly intense reflections |
0.0391 |
Weighted residual factors for significantly intense reflections |
0.0891 |
Weighted residual factors for all reflections included in the refinement |
0.0973 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.996 |
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/2229660.html