Crystallography Open Database

Information card for entry 4022281

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Structure parameters

Chemical name	(3H-indole)tris(pentafluorophenyl)boron
Formula	C26 H7 B F15 N
Calculated formula	C26 H7 B F15 N
SMILES	[N]1(=CCc2ccccc12)[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
Title of publication	Synthesis and Reactivity of (C~6~F~5~)~3~B-N-Heterocycle Complexes. 1. Generation of Highly Acidic sp^3^ Carbons in Pyrroles and Indoles
Authors of publication	Simona Guidotti; Isabella Camurati; Francesca Focante; Luca Angellini; Gilberto Moscardi; Luigi Resconi; Rino Leardini; Daniele Nanni; Pierluigi Mercandelli; Angelo Sironi; Tiziana Beringhelli; Daniela Maggioni
Journal of publication	Journal of Organic Chemistry
Year of publication	2003
Journal volume	68
Pages of publication	5445 - 5465
a	9.906 ± 0.005 Å
b	10.969 ± 0.006 Å
c	11.67 ± 0.006 Å
α	107.17 ± 0.01°
β	93.02 ± 0.01°
γ	101.54 ± 0.01°
Cell volume	1178.6 ± 1.1 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.09
Goodness-of-fit parameter for significantly intense reflections	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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