Information card for entry 7245082
Formula |
C12 H8 O S2 |
Calculated formula |
C12 H8 O S2 |
Title of publication |
An isotropic three-dimensional organic semiconductor 2-(thiopyran-4-ylidene)-1,3-benzodithiole (TP-BT): asymmetric molecular design to suppress access resistance |
Authors of publication |
Nishimoto, Hiroshi; Kadoya, Tomofumi; Miyake, Rikyu; Oda, Takeshi; Nishida, Jun-ichi; Kubo, Kazuya; Tajima, Hiroyuki; Kawase, Takeshi; Yamada, Jun-ichi |
Journal of publication |
CrystEngComm |
Year of publication |
2022 |
a |
5.9198 ± 0.0016 Å |
b |
7.67 ± 0.002 Å |
c |
22.977 ± 0.006 Å |
α |
90° |
β |
96.417 ± 0.006° |
γ |
90° |
Cell volume |
1036.7 ± 0.5 Å3 |
Cell temperature |
293 K |
Ambient diffraction temperature |
293 K |
Number of distinct elements |
4 |
Space group number |
14 |
Hermann-Mauguin space group symbol |
P 1 21/c 1 |
Hall space group symbol |
-P 2ybc |
Residual factor for all reflections |
0.0756 |
Residual factor for significantly intense reflections |
0.0705 |
Weighted residual factors for significantly intense reflections |
0.1933 |
Weighted residual factors for all reflections included in the refinement |
0.1985 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.078 |
Diffraction radiation wavelength |
0.71075 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/7245082.html