Information card for entry 2237332
Chemical name |
1,3-Bis[(<i>tert</i>-butylsulfanyl)methyl]-2,4,6-trimethylbenzene |
Formula |
C19 H32 S2 |
Calculated formula |
C19 H32 S2 |
Title of publication |
1,3-Bis[(<i>tert</i>-butylsulfanyl)methyl]-2,4,6-trimethylbenzene |
Authors of publication |
Paz-Morales, Evelyn; Basauri-Molina, Manuel; Germán-Acacio, Juan Manuel; Reyes-Martínez, Reyna; Morales-Morales, David |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2013 |
Journal volume |
69 |
Journal issue |
2 |
Pages of publication |
o306 |
a |
14.87 ± 0.004 Å |
b |
14.233 ± 0.003 Å |
c |
9.245 ± 0.002 Å |
α |
90° |
β |
103.693 ± 0.004° |
γ |
90° |
Cell volume |
1901 ± 0.8 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
3 |
Space group number |
15 |
Hermann-Mauguin space group symbol |
C 1 2/c 1 |
Hall space group symbol |
-C 2yc |
Residual factor for all reflections |
0.1014 |
Residual factor for significantly intense reflections |
0.0552 |
Weighted residual factors for significantly intense reflections |
0.1267 |
Weighted residual factors for all reflections included in the refinement |
0.1425 |
Goodness-of-fit parameter for all reflections included in the refinement |
0.927 |
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/2237332.html