Crystallography Open Database

Information card for entry 7123721

Preview

Coordinates	7123721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 B10
Calculated formula	C26 H28 B10
Title of publication	Icosahedral carboranes as scaffolds for congested regioselective polyaryl compounds. The distinct distance tuning of C-C and its antipodal B-B.
Authors of publication	Vinas, Clara; Kelemen, Zsolt; Pepiol, Ariadna; Lupu, Marius; Sillanpää, Reijo; Hänninen, Mikko; Teixidor, Francesc
Journal of publication	Chemical Communications
Year of publication	2019
a	10.0809 ± 0.0003 Å
b	9.02379 ± 0.00019 Å
c	13.9208 ± 0.0003 Å
α	90°
β	100.834 ± 0.002°
γ	90°
Cell volume	1243.77 ± 0.05 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	3
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0417
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0959
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
216535 (current)	2019-06-26	cif/ Adding structures of 7123717, 7123718, 7123719, 7123720, 7123721 via cif-deposit CGI script.	7123721.cif