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