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Information card for entry 1513561
Preview
Coordinates | 1513561.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | TIPSNDT3Q2 |
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Chemical name | TIPSNDT3Q2 |
Formula | C38 H46 N4 S2 Si2 |
Calculated formula | C38 H46 N4 S2 Si2 |
SMILES | s1c2C(C=C3c4cc(sc4C(C=C3c2cc1[Si](C(C)C)(C(C)C)C(C)C)=C(C#N)C#N)[Si](C(C)C)(C(C)C)C(C)C)=C(C#N)C#N |
Title of publication | Dithiophene-Fused Tetracyanonaphthoquinodimethanes (DT-TNAPs): synthesis and characterization of π-extended quinoidal compounds for n-channel organic semiconductor. |
Authors of publication | Yanai, Naoyuki; Mori, Takamichi; Shinamura, Shoji; Osaka, Itaru; Takimiya, Kazuo |
Journal of publication | Organic letters |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 1 |
Pages of publication | 240 - 243 |
a | 10.561 ± 0.003 Å |
b | 14.952 ± 0.004 Å |
c | 12.363 ± 0.004 Å |
α | 90° |
β | 107.937 ± 0.004° |
γ | 90° |
Cell volume | 1857.3 ± 0.9 Å3 |
Cell temperature | 200 ± 2 K |
Ambient diffraction temperature | 200 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0636 |
Residual factor for significantly intense reflections | 0.0452 |
Weighted residual factors for significantly intense reflections | 0.1082 |
Weighted residual factors for all reflections included in the refinement | 0.1198 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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