Information card for entry 8106450
| Formula |
C21 H25 N O3 |
| Calculated formula |
C21 H25 N O3 |
| Title of publication |
Crystal structure of 4-(3,4-dimethyl-phenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid ethyl ester, C21H25NO3 |
| Authors of publication |
Meng, Jing; Dai, Yifei; Sui, Feng |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2017 |
| Journal volume |
232 |
| Journal issue |
1 |
| Pages of publication |
111 - 112 |
| a |
7.336 ± 0.004 Å |
| b |
10.825 ± 0.004 Å |
| c |
12.322 ± 0.003 Å |
| α |
70.94 ± 0.018° |
| β |
75.965 ± 0.019° |
| γ |
82.483 ± 0.019° |
| Cell volume |
895.8 ± 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 |
0.1044 |
| Residual factor for significantly intense reflections |
0.0736 |
| Weighted residual factors for significantly intense reflections |
0.1667 |
| Weighted residual factors for all reflections included in the refinement |
0.1827 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.066 |
| 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/8106450.html
