Information card for entry 4506178
| Formula |
C18 H14 F N O3 S |
| Calculated formula |
C18 H14 F N O3 S |
| SMILES |
S(=O)(=O)(Nc1c(Oc2ccccc2)cccc1)c1ccccc1F |
| Title of publication |
Polymorphism of Aromatic Sulfonamides with Fluorine Groups |
| Authors of publication |
Terada, Sho; Katagiri, Kosuke; Masu, Hyuma; Danjo, Hiroshi; Sei, Yoshihisa; Kawahata, Masatoshi; Tominaga, Masahide; Yamaguchi, Kentaro; Azumaya, Isao |
| Journal of publication |
Crystal Growth & Design |
| Year of publication |
2012 |
| Journal volume |
12 |
| Journal issue |
6 |
| Pages of publication |
2908 |
| a |
9.4455 ± 0.0019 Å |
| b |
12.131 ± 0.002 Å |
| c |
13.454 ± 0.003 Å |
| α |
90° |
| β |
90.798 ± 0.002° |
| γ |
90° |
| Cell volume |
1541.5 ± 0.5 Å3 |
| Cell temperature |
120 K |
| Ambient diffraction temperature |
120 K |
| Number of distinct elements |
6 |
| 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 |
0.0396 |
| Residual factor for significantly intense reflections |
0.034 |
| Weighted residual factors for significantly intense reflections |
0.0859 |
| Weighted residual factors for all reflections included in the refinement |
0.0903 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.042 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/4506178.html
