Information card for entry 4506182
| Formula |
C18 H14 F N O3 S |
| Calculated formula |
C18 H14 F N O3 S |
| SMILES |
S(=O)(=O)(c1ccc(F)cc1)Nc1c(Oc2ccccc2)cccc1 |
| 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 |
8.25 ± 0.003 Å |
| b |
9.528 ± 0.003 Å |
| c |
11.468 ± 0.004 Å |
| α |
102.597 ± 0.004° |
| β |
107.235 ± 0.004° |
| γ |
104.579 ± 0.003° |
| Cell volume |
790.4 ± 0.5 Å3 |
| Cell temperature |
120 K |
| Ambient diffraction temperature |
120 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0837 |
| Residual factor for significantly intense reflections |
0.0542 |
| Weighted residual factors for significantly intense reflections |
0.1275 |
| Weighted residual factors for all reflections included in the refinement |
0.1433 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.041 |
| 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/4506182.html
