Information card for entry 2207316
Chemical name |
4-(4-Chlorophenyl)-1,7,7-trimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione |
Formula |
C18 H20 Cl N O2 |
Calculated formula |
C18 H20 Cl N O2 |
SMILES |
Clc1ccc(C2CC(=O)N(C3=C2C(=O)CC(C3)(C)C)C)cc1 |
Title of publication |
4-(4-Chlorophenyl)-1,7,7-trimethyl-1,2,3,4,5,6,7,8-octahydroquinoline-2,5-dione |
Authors of publication |
Shujiang Tu; Xiaotong Zhu; Jinpeng Zhang; Jianing Xu; Qian Wang |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2005 |
Journal volume |
61 |
Journal issue |
11 |
Pages of publication |
o3536 - o3537 |
a |
17.492 ± 0.003 Å |
b |
9.805 ± 0.002 Å |
c |
9.634 ± 0.002 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1652.3 ± 0.6 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
5 |
Space group number |
29 |
Hermann-Mauguin space group symbol |
P c a 21 |
Hall space group symbol |
P 2c -2ac |
Residual factor for all reflections |
0.0992 |
Residual factor for significantly intense reflections |
0.0591 |
Weighted residual factors for significantly intense reflections |
0.1491 |
Weighted residual factors for all reflections included in the refinement |
0.1785 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.016 |
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/2207316.html