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Information card for entry 4036627
Preview
Coordinates | 4036627.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H50 S4 |
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Calculated formula | C42 H50 S4 |
SMILES | s1c2c(c3c(CCCCCCCCCC)cc4sccc4c13)cc1sc3c(c(CCCCCCCCCC)cc4sccc34)c1c2 |
Title of publication | Synthesis and Isomeric Effects of Ladder-Type Alkylated Terbenzodithiophene Derivatives. |
Authors of publication | Chen, Yung-Lung; Hsu, Jhih-Yang; Lin, Fang-Yu; Lai, Yu-Ying; Chou, Hsiao-Chieh; Cheng, Yen-Ju |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2016 |
Journal volume | 81 |
Journal issue | 6 |
Pages of publication | 2534 - 2542 |
a | 37.458 ± 0.002 Å |
b | 5.4399 ± 0.0003 Å |
c | 17.8501 ± 0.0007 Å |
α | 90° |
β | 106.94 ± 0.004° |
γ | 90° |
Cell volume | 3479.5 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
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 | 0.1029 |
Residual factor for significantly intense reflections | 0.0814 |
Weighted residual factors for significantly intense reflections | 0.2153 |
Weighted residual factors for all reflections included in the refinement | 0.236 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
Diffraction radiation wavelength | 1.54178 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/4036627.html
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