Information card for entry 8105656
| Formula |
C19 H23 N O3 S |
| Calculated formula |
C19 H23 N O3 S |
| Title of publication |
Crystal structure of methyl 2,7,7-trimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H23NO3S |
| Authors of publication |
Lu, Xiao-Qing; Zhang, Huan-Hu; Yang, Rui; Zhu, Si-Yuan; Wang, Fu-Sheng |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2019 |
| Journal volume |
234 |
| Journal issue |
3 |
| Pages of publication |
393 - 394 |
| a |
9.0403 ± 0.0015 Å |
| b |
18.213 ± 0.003 Å |
| c |
11.1889 ± 0.0019 Å |
| α |
90° |
| β |
107.964 ± 0.002° |
| γ |
90° |
| Cell volume |
1752.5 ± 0.5 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296.15 K |
| Number of distinct elements |
5 |
| 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 |
0.0645 |
| Residual factor for significantly intense reflections |
0.0498 |
| Weighted residual factors for significantly intense reflections |
0.1407 |
| Weighted residual factors for all reflections included in the refinement |
0.1536 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/8105656.html
