Crystallography Open Database

Information card for entry 4515715

Preview

Coordinates	4515715.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H9 Al F15 N
Calculated formula	C27 H9 Al F15 N
SMILES	[Al]([CH]1=CN(C)c2ccccc12)(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
Title of publication	Switchable C‒H Silylation of Indoles Catalyzed by a Thermally Induced Frustrated Lewis Pair
Authors of publication	Han, Yuxi; Zhang, Sutao; He, Jianghua; Zhang, Yuetao
Journal of publication	ACS Catalysis
Year of publication	2018
Journal volume	8
Journal issue	9
Pages of publication	8765
a	7.4782 ± 0.0015 Å
b	17.022 ± 0.004 Å
c	9.979 ± 0.002 Å
α	90°
β	107.975 ± 0.004°
γ	90°
Cell volume	1208.3 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.1157
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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