Information card for entry 8105532
| Formula |
C23 H29 N O3 |
| Calculated formula |
C23 H29 N O3 |
| Title of publication |
Crystal structure of methyl 4-(4-isopropylphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylate, C23H29NO3 |
| Authors of publication |
Li, Da; Zhou, Yan; Zhao, Li; Zhang, Hua |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2018 |
| Journal volume |
234 |
| Journal issue |
1 |
| Pages of publication |
35 - 36 |
| a |
9.531 ± 0.005 Å |
| b |
19.245 ± 0.011 Å |
| c |
11.902 ± 0.007 Å |
| α |
90° |
| β |
107.003 ± 0.01° |
| γ |
90° |
| Cell volume |
2088 ± 2 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296.15 K |
| Number of distinct elements |
4 |
| 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 |
0.0959 |
| Residual factor for significantly intense reflections |
0.0525 |
| Weighted residual factors for significantly intense reflections |
0.1341 |
| Weighted residual factors for all reflections included in the refinement |
0.1512 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.017 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/8105532.html
