Crystallography Open Database

Information card for entry 1576466

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Coordinates	1576466.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H42 B20 N2
Calculated formula	C30 H42 B20 N2
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	6.6233 ± 0.0003 Å
b	12.6036 ± 0.0006 Å
c	44.544 ± 0.002 Å
α	90°
β	90.489 ± 0.002°
γ	90°
Cell volume	3718.3 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.109
Residual factor for significantly intense reflections	0.0802
Weighted residual factors for significantly intense reflections	0.2112
Weighted residual factors for all reflections included in the refinement	0.2267
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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