Information card for entry 8104749
| Formula |
C14 H15 F2 N O2 |
| Calculated formula |
C14 H15 F2 N O2 |
| Title of publication |
Crystal structure of 4-(2,2-difluoroethyl)-2,4,6-trimethylisoquinoline-1,3(2H,4H)-dione, C14H15F2NO2 |
| Authors of publication |
Li, Huixing; Han, Xinlong; Cao, Bin |
| Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication |
2021 |
| Journal volume |
236 |
| Journal issue |
3 |
| Pages of publication |
499 - 501 |
| a |
11.5474 ± 0.001 Å |
| b |
11.0737 ± 0.0007 Å |
| c |
11.4311 ± 0.001 Å |
| α |
90° |
| β |
114.979 ± 0.011° |
| γ |
90° |
| Cell volume |
1325 ± 0.2 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| 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 |
0.099 |
| Residual factor for significantly intense reflections |
0.0738 |
| Weighted residual factors for significantly intense reflections |
0.1862 |
| Weighted residual factors for all reflections included in the refinement |
0.2034 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.084 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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