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Information card for entry 4132741
Preview
Coordinates | 4132741.cif |
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Original paper (by DOI) | HTML |
Formula | C30 H20 Cl6 Si2 |
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Calculated formula | C30 H20 Cl6 Si2 |
SMILES | [Si](Cl)(Cl)(Cl)c1c([Si](Cl)(Cl)Cl)c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 |
Title of publication | Exhaustively Trichlorosilylated C<sub>1</sub> and C<sub>2</sub> Building Blocks: Beyond the Müller-Rochow Direct Process. |
Authors of publication | Georg, Isabelle; Teichmann, Julian; Bursch, Markus; Tillmann, Jan; Endeward, Burkhard; Bolte, Michael; Lerner, Hans-Wolfram; Grimme, Stefan; Wagner, Matthias |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 30 |
Pages of publication | 9696 - 9708 |
a | 11.5499 ± 0.0006 Å |
b | 12.4908 ± 0.0007 Å |
c | 12.5898 ± 0.0007 Å |
α | 65.826 ± 0.004° |
β | 79.473 ± 0.004° |
γ | 65.638 ± 0.004° |
Cell volume | 1509.27 ± 0.16 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 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 | 0.0486 |
Residual factor for significantly intense reflections | 0.035 |
Weighted residual factors for significantly intense reflections | 0.0806 |
Weighted residual factors for all reflections included in the refinement | 0.0852 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4132741.html
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Users of the data should acknowledge the original authors of the
structural data.