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Information card for entry 7055192
Preview
Coordinates | 7055192.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H12 F6 N4 O2 S4 |
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Calculated formula | C28 H12 F6 N4 O2 S4 |
SMILES | c12nsnc1c(c1c(c2c2ccc(c3ccc(OC(F)(F)F)cc3)s2)nsn1)c1ccc(c2ccc(OC(F)(F)F)cc2)s1 |
Title of publication | Crystal structure and modeled charge carrier mobility of benzobis(thiadiazole) derivatives |
Authors of publication | Mamada, Masashi; Fujita, Harunori; Kakita, Kazuaki; Shima, Hidetaka; Yoneda, Yasuhiro; Tanaka, Yasuhiro; Tokito, Shizuo |
Journal of publication | New J. Chem. |
Year of publication | 2016 |
Journal volume | 40 |
Journal issue | 2 |
Pages of publication | 1403 |
a | 40.73 ± 0.07 Å |
b | 9.045 ± 0.015 Å |
c | 7.129 ± 0.012 Å |
α | 90° |
β | 95.19 ± 0.03° |
γ | 90° |
Cell volume | 2616 ± 8 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1696 |
Residual factor for significantly intense reflections | 0.1264 |
Weighted residual factors for significantly intense reflections | 0.298 |
Weighted residual factors for all reflections included in the refinement | 0.3288 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.105 |
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/7055192.html
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