Crystallography Open Database

Information card for entry 4102344

Preview

Coordinates	4102344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H17 Au F3 P
Calculated formula	C24 H17 Au F3 P
SMILES	[Au](c1c(F)cc(F)cc1F)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Gold(I)-Mediated C-H Activation of Arenes
Authors of publication	Pengfei Lu; Tanya C. Boorman; Alexandra M. Z. Slawin; Igor Larrosa
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	5580 - 5581
a	11.677 ± 0.004 Å
b	13.18 ± 0.004 Å
c	26.365 ± 0.009 Å
α	90°
β	95.868 ± 0.01°
γ	90°
Cell volume	4036 ± 2 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0743
Residual factor for significantly intense reflections	0.0524
Weighted residual factors for significantly intense reflections	0.1545
Weighted residual factors for all reflections included in the refinement	0.2302
Goodness-of-fit parameter for all reflections included in the refinement	1.205
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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