Information card for entry 4029753
Formula |
C18 H10 S2 |
Calculated formula |
C18 H10 S2 |
SMILES |
s1c2c(c3c4c5ccccc5sc4ccc13)cccc2 |
Title of publication |
The efficient synthesis of dibenzo[d,d']benzo[1,2-b:4,3-b']dithiophene and cyclopenta[1,2-b:4,3-b']bis(benzo[d]thiophen)-6-one. |
Authors of publication |
Wang, Zhihua; Zhu, Sheng; Shi, Jianwu; Wang, Hua |
Journal of publication |
Beilstein journal of organic chemistry |
Year of publication |
2009 |
Journal volume |
5 |
Pages of publication |
55 |
a |
3.9971 ± 0.0016 Å |
b |
10.334 ± 0.004 Å |
c |
31.473 ± 0.013 Å |
α |
90° |
β |
90° |
γ |
90° |
Cell volume |
1300 ± 0.9 Å3 |
Cell temperature |
296 ± 2 K |
Ambient diffraction temperature |
296 ± 2 K |
Number of distinct elements |
3 |
Space group number |
19 |
Hermann-Mauguin space group symbol |
P 21 21 21 |
Hall space group symbol |
P 2ac 2ab |
Residual factor for all reflections |
0.0395 |
Residual factor for significantly intense reflections |
0.0335 |
Weighted residual factors for significantly intense reflections |
0.076 |
Weighted residual factors for all reflections included in the refinement |
0.0846 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.042 |
Diffraction radiation wavelength |
0.71073 Å |
Diffraction radiation type |
MoKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/4029753.html