Information card for entry 2240886
Chemical name |
3,9,9-Trimethyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-4-ium chloride |
Formula |
C15 H22 Cl N |
Calculated formula |
C15 H22 Cl N |
SMILES |
[Cl-].[NH2+]1c2c(C([C@H]3[C@H]1[C@@H](C)CC3)(C)C)cccc2 |
Title of publication |
Crystal structure of 3,9,9-trimethyl-2,3,3a,4,9,9a-hexahydro-1<i>H</i>-cyclopenta[<i>b</i>]quinolin-4-ium chloride |
Authors of publication |
Sridhar, G.; Bilal, I. Mohammed; Easwaramoorthy, D.; Rani, S. Kutti; Solomon, K. Anand |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2015 |
Journal volume |
71 |
Journal issue |
7 |
Pages of publication |
o525 - o526 |
a |
7.0291 ± 0.0005 Å |
b |
10.3313 ± 0.0008 Å |
c |
18.9425 ± 0.0014 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1375.6 ± 0.18 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
4 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0438 |
Residual factor for significantly intense reflections |
0.0388 |
Weighted residual factors for significantly intense reflections |
0.1162 |
Weighted residual factors for all reflections included in the refinement |
0.123 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.945 |
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/2240886.html