Crystallography Open Database

Information card for entry 1546388

Preview

Coordinates	1546388.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H6 B2 F3 K2 N7 O
Calculated formula	C14 H6 B2 F3 K2 N7 O
Title of publication	Borylation of Fluorinated Arenes with the Boron-centred Nucleophile B(CN)32− ‒ a Unique Entry to Aryltricyanoborates
Authors of publication	Landmann, Johannes; Hennig, Philipp T.; Ignat'ev, Nikolai; Finze, Maik
Journal of publication	Chem. Sci.
Year of publication	2017
a	25.5118 ± 0.0015 Å
b	25.5118 ± 0.0015 Å
c	12.1914 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	7934.8 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	88
Hermann-Mauguin space group symbol	I 41/a
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1519
Goodness-of-fit parameter for all reflections included in the refinement	1.272
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
198148 (current)	2017-06-27	cif/ Adding structures of 1546384, 1546385, 1546386, 1546387, 1546388, 1546389, 1546390, 1546391, 1546392, 1546393, 1546394, 1546395, 1546396, 1546397, 1546398, 1546399, 1546400, 1546401 via cif-deposit CGI script.	1546388.cif