Crystallography Open Database

Information card for entry 1576464

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Coordinates	1576464.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H64 B40 Cu4 N4 O6
Calculated formula	C32 H64 B40 Cu4 N4 O6
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	7.3682 ± 0.0003 Å
b	10.1761 ± 0.0004 Å
c	22.8548 ± 0.001 Å
α	85.791 ± 0.002°
β	86.643 ± 0.002°
γ	70.673 ± 0.002°
Cell volume	1611.64 ± 0.12 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.0447
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.1095
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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