Information card for entry 2209064
Chemical name |
9-(2-Chlorophenyl)-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridine- 1,8-dione |
Formula |
C23 H26 Cl N O2 |
Calculated formula |
C23 H26 Cl N O2 |
SMILES |
Clc1c(C2C3=C(NC4=C2C(=O)CC(C4)(C)C)CC(CC3=O)(C)C)cccc1 |
Title of publication |
9-(2-Chlorophenyl)-1,2,3,4,5,6,7,8,9,10-decahydro-3,3,6,6-tetramethylacridine-1,8-dione |
Authors of publication |
Liang-Ce Rong; Xiao-Yue Li; Chang-Sheng Yao; Hai-Ying Wang; Da-Qing Shi |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2006 |
Journal volume |
62 |
Journal issue |
6 |
Pages of publication |
o2380 - o2381 |
a |
17.004 ± 0.006 Å |
b |
11.429 ± 0.004 Å |
c |
21.741 ± 0.01 Å |
α |
90° |
β |
111.858 ± 0.015° |
γ |
90° |
Cell volume |
3921 ± 3 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
5 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.1733 |
Residual factor for significantly intense reflections |
0.0779 |
Weighted residual factors for significantly intense reflections |
0.1839 |
Weighted residual factors for all reflections included in the refinement |
0.2689 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.071 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2209064.html