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Information card for entry 1543327
Preview
Coordinates | 1543327.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H52 S2 Si2 |
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Calculated formula | C46 H52 S2 Si2 |
SMILES | s1c2c3c(c(c2c2c1cccc2)C#C[Si](C(C)C)(C(C)C)C(C)C)cc1c2sc4c(c2c(c1c3)C#C[Si](C(C)C)(C(C)C)C(C)C)cccc4 |
Title of publication | Indacenodibenzothiophenes: synthesis, optoelectronic properties and materials applications of molecules with strong antiaromatic character |
Authors of publication | Marshall, Jonathan L.; Uchida, Kazuyuki; Frederickson, Conerd K.; Schütt, Christian; Zeidell, Andrew M.; Goetz, Katelyn P.; Finn, Tristan W.; Jarolimek, Karol; Zakharov, Lev N.; Risko, Chad; Herges, Rainer; Jurchescu, Oana D.; Haley, Michael M. |
Journal of publication | Chem. Sci. |
Year of publication | 2016 |
Journal volume | 7 |
Journal issue | 8 |
Pages of publication | 5547 |
a | 8.041 ± 0.003 Å |
b | 11.32 ± 0.004 Å |
c | 12.549 ± 0.005 Å |
α | 106.204 ± 0.011° |
β | 106.976 ± 0.009° |
γ | 99.176 ± 0.011° |
Cell volume | 1012.3 ± 0.7 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.1488 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for significantly intense reflections | 0.1233 |
Weighted residual factors for all reflections included in the refinement | 0.146 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.985 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/1543327.html
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Users of the data should acknowledge the original authors of the
structural data.