Information card for entry 2237192
Chemical name |
9-(3-Fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10- decahydroacridine-1,8-dione |
Formula |
C23 H26 F N O2 |
Calculated formula |
C23 H26 F N O2 |
SMILES |
Fc1cccc(C2C3=C(CC(CC3=O)(C)C)NC3=C2C(=O)CC(C3)(C)C)c1 |
Title of publication |
9-(3-Fluorophenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione |
Authors of publication |
Kant, Rajni; Gupta, Vivek K.; Kapoor, Kamini; Patil, D. R.; Jagadale, S. D.; Deshmukh, Madhukar B. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2013 |
Journal volume |
69 |
Journal issue |
1 |
Pages of publication |
o101 |
a |
11.0505 ± 0.0003 Å |
b |
12.8264 ± 0.0003 Å |
c |
13.8548 ± 0.0003 Å |
α |
90° |
β |
100.215 ± 0.002° |
γ |
90° |
Cell volume |
1932.63 ± 0.08 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 |
0.0606 |
Residual factor for significantly intense reflections |
0.0443 |
Weighted residual factors for significantly intense reflections |
0.1075 |
Weighted residual factors for all reflections included in the refinement |
0.1175 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.03 |
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/2237192.html