Information card for entry 2203880
Chemical name |
6-ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline |
Formula |
C14 H21 N O |
Calculated formula |
C14 H21 N O |
SMILES |
N1C(C)(C)CC(C)c2cc(OCC)ccc12 |
Title of publication |
6-Ethoxy-1,2,3,4-tetrahydro-2,2,4-trimethylquinoline |
Authors of publication |
Rybakov, Victor B.; Alekseev, Nikolai V.; Sheludyakov, Vladimir D.; Ivanov, Yury A.; Frolov, Alexei Yu.; Aslanov, Leonid A. |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2004 |
Journal volume |
60 |
Journal issue |
7 |
Pages of publication |
o1145 - o1146 |
a |
13.196 ± 0.004 Å |
b |
8.865 ± 0.006 Å |
c |
11.33 ± 0.011 Å |
α |
90° |
β |
90.77 ± 0.06° |
γ |
90° |
Cell volume |
1325.3 ± 1.6 Å3 |
Cell temperature |
293 ± 2 K |
Ambient diffraction temperature |
293 ± 2 K |
Number of distinct elements |
4 |
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 |
0.0809 |
Residual factor for significantly intense reflections |
0.053 |
Weighted residual factors for significantly intense reflections |
0.1254 |
Weighted residual factors for all reflections included in the refinement |
0.1425 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.994 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2203880.html