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Information card for entry 4107257
Preview
Coordinates | 4107257.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C43 H29 B F20 Si |
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Calculated formula | C43 H29 B F20 Si |
SMILES | [Si](C1C(=C[CH+]C(=C1)C)C)(C)(C)C.[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.c1(ccc(cc1)C)C |
Title of publication | Silylium-Arene Adducts: An Experimental and Theoretical Study |
Authors of publication | Muhammad Farooq Ibad; Peter Langer; Axel Schulz; Alexander Villinger |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 21016 - 21027 |
a | 16.6384 ± 0.0011 Å |
b | 20.3523 ± 0.0011 Å |
c | 24.3708 ± 0.0015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8252.7 ± 0.9 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.1089 |
Residual factor for significantly intense reflections | 0.051 |
Weighted residual factors for significantly intense reflections | 0.1214 |
Weighted residual factors for all reflections included in the refinement | 0.1378 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/4107257.html
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Users of the data should acknowledge the original authors of the
structural data.