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Information card for entry 1540519
Preview
Coordinates | 1540519.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H36 S2 |
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Calculated formula | C28 H36 S2 |
SMILES | s1c2ccc3c(c2cc1CCCCCCC)ccc1sc(cc31)CCCCCCC |
Title of publication | Sulfoxide-directed metal-free cross-couplings in the expedient synthesis of benzothiophene-based components of materials |
Authors of publication | Eberhart, Andrew J.; Shrives, Harry; Zhang, Yuntong; Carrër, Amandine; Parry, Adam V. S.; Tate, Daniel J.; Turner, Michael L.; Procter, David J. |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 2 |
Pages of publication | 1281 |
a | 6.7057 ± 0.0004 Å |
b | 9.395 ± 0.0005 Å |
c | 10.2135 ± 0.0007 Å |
α | 75.517 ± 0.004° |
β | 77.083 ± 0.005° |
γ | 71.249 ± 0.003° |
Cell volume | 582.7 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0558 |
Residual factor for significantly intense reflections | 0.0503 |
Weighted residual factors for significantly intense reflections | 0.1284 |
Weighted residual factors for all reflections included in the refinement | 0.1338 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.911 |
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/1540519.html
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