Information card for entry 7214065
| Formula |
C10 H10 F3 N O2 S |
| Calculated formula |
C10 H10 F3 N O2 S |
| Title of publication |
Syntheses of, and structural studies on, benzo-fused 1,2,4-thiadiazines |
| Authors of publication |
Clark, Ewan R.; Hayward, John J.; Leontowicz, Bryce J.; Eisler, Dana J.; Rawson, Jeremy M. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2014 |
| Journal volume |
16 |
| Journal issue |
9 |
| Pages of publication |
1755 |
| a |
4.3006 ± 0.0012 Å |
| b |
12.286 ± 0.004 Å |
| c |
21.406 ± 0.006 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
1131 ± 0.6 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
19 |
| Hermann-Mauguin space group symbol |
P 21 21 21 |
| Hall space group symbol |
P 2ac 2ab |
| Residual factor for all reflections |
0.0422 |
| Residual factor for significantly intense reflections |
0.0371 |
| Weighted residual factors for significantly intense reflections |
0.0862 |
| Weighted residual factors for all reflections included in the refinement |
0.0892 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.052 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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