Information card for entry 2216397
Chemical name |
4,4',5,5'-Tetraphenyl-2,2'-dithiodi-1,3-oxazole |
Formula |
C30 H20 N2 O2 S2 |
Calculated formula |
C30 H20 N2 O2 S2 |
SMILES |
c1ccc(cc1)c1oc(nc1c1ccccc1)SSc1nc(c(o1)c1ccccc1)c1ccccc1 |
Title of publication |
4,4',5,5'-Tetraphenyl-2,2'-dithiodi-1,3-oxazole |
Authors of publication |
Jikun Li; Guofang He |
Journal of publication |
Acta Crystallographica Section E |
Year of publication |
2007 |
Journal volume |
63 |
Journal issue |
12 |
Pages of publication |
o4783 - o4783 |
a |
30.6054 ± 0.00012 Å |
b |
10.1073 ± 0.0004 Å |
c |
8.1631 ± 0.0003 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
2525.16 ± 0.14 Å3 |
Cell temperature |
298 ± 2 K |
Ambient diffraction temperature |
298 ± 2 K |
Number of distinct elements |
5 |
Space group number |
60 |
Hermann-Mauguin space group symbol |
P b c n |
Hall space group symbol |
-P 2n 2ab |
Residual factor for all reflections |
0.1583 |
Residual factor for significantly intense reflections |
0.0525 |
Weighted residual factors for significantly intense reflections |
0.0876 |
Weighted residual factors for all reflections included in the refinement |
0.1079 |
Goodness-of-fit parameter for all reflections included in the refinement |
1 |
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/2216397.html