Information card for entry 2231717
Chemical name |
3-(3-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran |
Formula |
C18 H17 F O2 S |
Calculated formula |
C18 H17 F O2 S |
SMILES |
S(=O)(c1c2c(c(c(cc2oc1C)C)C)C)c1cccc(F)c1 |
Title of publication |
3-(3-Fluorophenylsulfinyl)-2,4,5,6-tetramethyl-1-benzofuran |
Authors of publication |
Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2011 |
Journal volume |
67 |
Journal issue |
9 |
Pages of publication |
o2327 |
a |
8.1631 ± 0.0013 Å |
b |
9.2105 ± 0.0014 Å |
c |
10.9837 ± 0.0018 Å |
α |
93.089 ± 0.009° |
β |
104.812 ± 0.009° |
γ |
103.368 ± 0.009° |
Cell volume |
771.1 ± 0.2 Å3 |
Cell temperature |
173 ± 2 K |
Ambient diffraction temperature |
173 ± 2 K |
Number of distinct elements |
5 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0667 |
Residual factor for significantly intense reflections |
0.0458 |
Weighted residual factors for significantly intense reflections |
0.1184 |
Weighted residual factors for all reflections included in the refinement |
0.1313 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.059 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
Yes |
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https://www.crystallography.net/2231717.html