Crystallography Open Database

Information card for entry 4102698

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Structure parameters

Formula	C35 H40 F6 N2 Si
Calculated formula	C35 H40 F6 N2 Si
SMILES	[Si]1(F)(N(c2c(cccc2C(C)C)C(C)C)C(C=C(N1c1c(cccc1C(C)C)C(C)C)C)=C)c1c(F)c(F)c(F)c(F)c1F
Title of publication	Selective Aromatic C-F and C-H Bond Activation with Silylenes of Different Coordinate Silicon
Authors of publication	Anukul Jana; Prinson P. Samuel; Gašper Tavčar; Herbert W. Roesky; Carola Schulzke
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10164 - 10170
a	20.81 ± 0.004 Å
b	9.6243 ± 0.0019 Å
c	33.923 ± 0.007 Å
α	90°
β	104.28 ± 0.03°
γ	90°
Cell volume	6584 ± 2 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.0772
Weighted residual factors for all reflections included in the refinement	0.0818
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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