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