Information card for entry 8105592
| Formula |
C18 H20 Br N O3 S |
| Calculated formula |
C18 H20 Br N O3 S |
| Title of publication |
Crystal structure of methyl 4-(4-bromothiophen-2-yl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C18H20BrNO3S |
| Authors of publication |
Tang, Bo |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2019 |
| Journal volume |
234 |
| Journal issue |
2 |
| Pages of publication |
209 - 210 |
| a |
11.558 ± 0.005 Å |
| b |
13.098 ± 0.005 Å |
| c |
12.25 ± 0.005 Å |
| α |
90° |
| β |
106.923 ± 0.017° |
| γ |
90° |
| Cell volume |
1774.2 ± 1.3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
296.15 K |
| Number of distinct elements |
6 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.1144 |
| Residual factor for significantly intense reflections |
0.0528 |
| Weighted residual factors for significantly intense reflections |
0.1224 |
| Weighted residual factors for all reflections included in the refinement |
0.1526 |
| 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 |
No |
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https://www.crystallography.net/8105592.html
