Crystallography Open Database

Information card for entry 1546391

Preview

Coordinates	1546391.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H8 B2 F2 K2 N6
Calculated formula	C18 H8 B2 F2 K2 N6
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	9.0844 ± 0.0006 Å
b	9.8593 ± 0.0006 Å
c	12.0751 ± 0.0008 Å
α	91.429 ± 0.002°
β	109.254 ± 0.002°
γ	90.945 ± 0.002°
Cell volume	1020.36 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1546391.cif