Information card for entry 7229692
| Formula |
C21.5 H18 F3 N5 O3.5 S2 |
| Calculated formula |
C21.5 H18 F3 N5 O3.5 S2 |
| Title of publication |
Cocrystal structure design for CH5134731 based on isomorphism |
| Authors of publication |
Tanida, S.; Takata, N.; Takano, R.; Sakon, A.; Ueto, T.; Shiraki, K.; Kadota, K.; Tozuka, Y.; Ishigai, M. |
| Journal of publication |
CrystEngComm |
| Year of publication |
2018 |
| Journal volume |
20 |
| Journal issue |
3 |
| Pages of publication |
362 |
| a |
11.2642 ± 0.0002 Å |
| b |
20.5587 ± 0.0004 Å |
| c |
10.11845 ± 0.00018 Å |
| α |
90° |
| β |
91.9094 ± 0.0007° |
| γ |
90° |
| Cell volume |
2341.9 ± 0.07 Å3 |
| Cell temperature |
93 K |
| Ambient diffraction temperature |
93 K |
| Number of distinct elements |
6 |
| 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 |
0.0467 |
| Residual factor for significantly intense reflections |
0.0415 |
| Weighted residual factors for significantly intense reflections |
0.1034 |
| Weighted residual factors for all reflections included in the refinement |
0.1075 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.084 |
| Diffraction radiation wavelength |
1.54187 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7229692.html
