Information card for entry 2008355
Chemical name |
9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione |
Formula |
C21 H15 N O2 S |
Calculated formula |
C21 H15 N O2 S |
SMILES |
O=C1C(=CC(=O)c2nc3ccccc3c(c12)C)Sc1ccc(cc1)C |
Title of publication |
2-Ethylthio-9-methyl-1,4-dihydroacridine-1,4-dione and 9-methyl-2-(4-tolylthio)-1,4-dihydroacridine-1,4-dione |
Authors of publication |
Baker, L.-J.; Clark, George R.; Copp, Brent R.; Hansen, Richard P.; Squire, Christopher J. |
Journal of publication |
Acta Crystallographica Section C |
Year of publication |
1999 |
Journal volume |
55 |
Journal issue |
4 |
Pages of publication |
634 - 636 |
a |
9.2792 ± 0.0002 Å |
b |
8.7627 ± 0.0002 Å |
c |
20.1726 ± 0.0005 Å |
α |
90° |
β |
98.445 ± 0.001° |
γ |
90° |
Cell volume |
1622.47 ± 0.07 Å3 |
Cell temperature |
203 ± 2 K |
Ambient diffraction temperature |
203 ± 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 |
0.043 |
Residual factor for significantly intense reflections |
0.035 |
Weighted residual factors for all reflections included in the refinement |
0.094 |
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 |
No |
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The link is:
https://www.crystallography.net/2008355.html