Information card for entry 1505298
Common name |
beta(T2-T2) |
Chemical name |
3,3'-bi(thieno[3,2-b]thiophene) |
Formula |
C12 H6 S4 |
Calculated formula |
C12 H6 S4 |
SMILES |
s1ccc2scc(c12)c1csc2c1scc2 |
Title of publication |
Planar beta-linked oligothiophenes based on thieno[3,2-b]thiophene and dithieno[3,2-b:2',3'-d]thiophene fused units. |
Authors of publication |
San Miguel, Lidaris; Porter, 3rd, William W; Matzger, Adam J. |
Journal of publication |
Organic letters |
Year of publication |
2007 |
Journal volume |
9 |
Journal issue |
6 |
Pages of publication |
1005 - 1008 |
a |
20.566 ± 0.004 Å |
b |
8.9517 ± 0.0019 Å |
c |
12.707 ± 0.003 Å |
α |
90° |
β |
105.591 ± 0.014° |
γ |
90° |
Cell volume |
2253.3 ± 0.9 Å3 |
Cell temperature |
295 K |
Ambient diffraction temperature |
295 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 |
0.0503 |
Residual factor for significantly intense reflections |
0.0386 |
Weighted residual factors for significantly intense reflections |
0.1151 |
Weighted residual factors for all reflections included in the refinement |
0.1339 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.182 |
Diffraction radiation wavelength |
1.5418 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/1505298.html