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Information card for entry 1505397
Preview
Coordinates | 1505397.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C29 H6 F28 S4 |
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Calculated formula | C29 H6 F28 S4 |
SMILES | FC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(c1ccc(s1)c1sc2c(c1)C(c1c2sc(c1)c1ccc(s1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F |
Title of publication | Electronegative oligothiophenes for n-type semiconductors: difluoromethylene-bridged bithiophene and its oligomers. |
Authors of publication | Ie, Yutaka; Nitani, Masashi; Ishikawa, Motomi; Nakayama, Ken-ichi; Tada, Hirokazu; Kaneda, Takahiro; Aso, Yoshio |
Journal of publication | Organic letters |
Year of publication | 2007 |
Journal volume | 9 |
Journal issue | 11 |
Pages of publication | 2115 - 2118 |
a | 53.0849 ± 0.0014 Å |
b | 6.5227 ± 0.0002 Å |
c | 9.6315 ± 0.0005 Å |
α | 90° |
β | 95.929 ± 0.0014° |
γ | 90° |
Cell volume | 3317.1 ± 0.2 Å3 |
Cell temperature | 93 ± 2 K |
Ambient diffraction temperature | 93 ± 2 K |
Number of distinct elements | 4 |
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 | 0.109 |
Residual factor for significantly intense reflections | 0.0767 |
Weighted residual factors for significantly intense reflections | 0.1931 |
Weighted residual factors for all reflections included in the refinement | 0.2252 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.218 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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