Information card for entry 8105539
| Formula |
C26 H27 N O4 |
| Calculated formula |
C26 H27 N O4 |
| Title of publication |
Crystal structure of methyl 4-(3-phenoxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C26H27NO4 |
| Authors of publication |
Gou, Wei; Chen, Gang; Chen, Wei-Yong; Li, Wen-Jun; Feng, Jing |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2018 |
| Journal volume |
234 |
| Journal issue |
1 |
| Pages of publication |
53 - 54 |
| a |
12.034 ± 0.004 Å |
| b |
15.247 ± 0.005 Å |
| c |
12.991 ± 0.004 Å |
| α |
90° |
| β |
115.379 ± 0.006° |
| γ |
90° |
| Cell volume |
2153.6 ± 1.2 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/c 1 |
| Hall space group symbol |
-P 2ybc |
| Residual factor for all reflections |
0.1143 |
| Residual factor for significantly intense reflections |
0.0531 |
| Weighted residual factors for significantly intense reflections |
0.1236 |
| Weighted residual factors for all reflections included in the refinement |
0.1447 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.969 |
| 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/8105539.html
