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Information card for entry 1555686
Preview
Coordinates | 1555686.cif |
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Original paper (by DOI) | HTML |
Formula | C39 H28 F6 N4 S2 |
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Calculated formula | C39 H28 F6 N4 S2 |
SMILES | s1c(c2ccc3c(C(c4c3ccc(c4)c3sc(cc3)C(=C(C#N)C#N)C(F)(F)F)(CCCC)CCCC)c2)ccc1C(=C(C#N)C#N)C(F)(F)F |
Title of publication | Electron-Accepting π-Conjugated Molecules with Fluorine-Containing Dicyanovinylidene as Terminal Groups: Synthesis, Properties, and Semiconducting Characteristics. |
Authors of publication | Ie, Yutaka; Uchida, Ayana; Kawaguchi, Nana; Nitani, Masashi; Tada, Hirokazu; Kakiuchi, Fumitoshi; Aso, Yoshio |
Journal of publication | Organic letters |
Year of publication | 2016 |
Journal volume | 18 |
Journal issue | 17 |
Pages of publication | 4320 - 4323 |
a | 11.286 ± 0.0002 Å |
b | 12.0729 ± 0.0002 Å |
c | 13.6655 ± 0.001 Å |
α | 86.182 ± 0.006° |
β | 69.301 ± 0.005° |
γ | 85.413 ± 0.006° |
Cell volume | 1734.75 ± 0.15 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0618 |
Residual factor for significantly intense reflections | 0.0548 |
Weighted residual factors for significantly intense reflections | 0.1479 |
Weighted residual factors for all reflections included in the refinement | 0.1535 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
Diffraction radiation wavelength | 1.54187 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1555686.html
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