Information card for entry 8106499
| Formula |
C22 H27 N O4 |
| Calculated formula |
C22 H27 N O4 |
| Title of publication |
Crystal structure of 4-(3-Methoxy-phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester, C22H27NO4 |
| Authors of publication |
Li, Jiangtao |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2017 |
| Journal volume |
232 |
| Journal issue |
2 |
| Pages of publication |
251 - 252 |
| a |
7.468 ± 0.003 Å |
| b |
9.442 ± 0.003 Å |
| c |
14.134 ± 0.005 Å |
| α |
82.725 ± 0.005° |
| β |
84.077 ± 0.005° |
| γ |
72.585 ± 0.005° |
| Cell volume |
941 ± 0.6 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0815 |
| Residual factor for significantly intense reflections |
0.0727 |
| Weighted residual factors for significantly intense reflections |
0.1749 |
| Weighted residual factors for all reflections included in the refinement |
0.1796 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.072 |
| 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/8106499.html
