Crystallography Open Database

Information card for entry 4107252

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Structure parameters

Formula	C43 H29 B F20 Si
Calculated formula	C43 H29 B F20 Si
SMILES	[Si](C1C=C[C+](C=C1)CC)(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(ccccc1)CC
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	14.9264 ± 0.0005 Å
b	17.9423 ± 0.0007 Å
c	16.8793 ± 0.0006 Å
α	90°
β	114.239 ± 0.002°
γ	90°
Cell volume	4122 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1245
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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