Crystallography Open Database

Information card for entry 1576467

Preview

Coordinates	1576467.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H41 B20 N2 S2
Calculated formula	C26 H39 B20 N2 S2
Title of publication	Stereospecific alkenylation of carboranes: copper-catalyzed access to pyridylcarboranyl alkenes
Authors of publication	Li, Ping; Li, Xiang; Wang, Liyan; Wang, Mengmeng; Tu, Deshuang; Yan, Hong; Lu, Jian; Lu, Ju-You
Journal of publication	Chemical Science
Year of publication	2026
a	6.8 ± 0.004 Å
b	12.42 ± 0.006 Å
c	21.506 ± 0.01 Å
α	90°
β	90.303 ± 0.019°
γ	90°
Cell volume	1816.3 ± 1.6 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.097
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.19
Weighted residual factors for all reflections included in the refinement	0.2118
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1576467.html