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Information card for entry 1502168
Preview
Coordinates | 1502168.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C34 H46 N2 S2 Si2 |
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Calculated formula | C34 H46 N2 S2 Si2 |
SMILES | c12c(c3cc4c(cc3c(c1N=S=N2)C#C[Si](C(C)C)(C(C)C)C(C)C)scc4)C#C[Si](C(C)C)(C(C)C)C(C)C |
Title of publication | Aceno[2,1,3]thiadiazoles for field-effect transistors: synthesis and crystal packing. |
Authors of publication | Lei, Ting; Zhou, Yan; Cheng, Chu-Yang; Cao, Yue; Peng, Yang; Bian, Jiang; Pei, Jian |
Journal of publication | Organic letters |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 10 |
Pages of publication | 2642 - 2645 |
a | 12.112 ± 0.002 Å |
b | 18.039 ± 0.004 Å |
c | 16.191 ± 0.003 Å |
α | 90° |
β | 94.77 ± 0.03° |
γ | 90° |
Cell volume | 3525.3 ± 1.2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0922 |
Residual factor for significantly intense reflections | 0.0433 |
Weighted residual factors for significantly intense reflections | 0.0637 |
Weighted residual factors for all reflections included in the refinement | 0.0703 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.994 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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