Information card for entry 8107551
Formula |
C14 H4 O2 S4 |
Calculated formula |
C14 H4 O2 S4 |
Title of publication |
Crystal structure of dithieno[2,3-d:2′,3′-d′]benzo[1,2-b:4,5-b′]dithiophene-5,10-dione, C14H4O2S4 |
Authors of publication |
Jia, Yan; Yu, Pengling; Li, Shihui; Zhao, Yumei; Zheng, Xiaoxin |
Journal of publication |
Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication |
2023 |
Journal volume |
238 |
Journal issue |
4 |
Pages of publication |
751 - 752 |
a |
3.8518 ± 0.0001 Å |
b |
8.9728 ± 0.0002 Å |
c |
18.0073 ± 0.0004 Å |
α |
90° |
β |
93.554 ± 0.001° |
γ |
90° |
Cell volume |
621.16 ± 0.03 Å3 |
Cell temperature |
301 ± 2 K |
Ambient diffraction temperature |
301 ± 2 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/n 1 |
Hall space group symbol |
-P 2yn |
Residual factor for all reflections |
0.0485 |
Residual factor for significantly intense reflections |
0.0411 |
Weighted residual factors for significantly intense reflections |
0.1007 |
Weighted residual factors for all reflections included in the refinement |
0.1091 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.083 |
Diffraction radiation wavelength |
1.54178 Å |
Diffraction radiation type |
CuKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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https://www.crystallography.net/8107551.html