Crystallography Open Database

Information card for entry 4135290

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Coordinates	4135290.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H50 B20
Calculated formula	C28 H50 B20
Title of publication	Transition-Metal-Free Cross-Coupling Reaction of Iodocarboranes with Terminal Alkynes Enabled by UV Light: Synthesis of 1-Alkynyl-<i>o</i>-Carboranes and Carborane-Fused Cyclics.
Authors of publication	Ni, Hangcheng; Lu, Zhenpin; Xie, Zuowei
Journal of publication	Journal of the American Chemical Society
Year of publication	2020
Journal volume	142
Journal issue	43
Pages of publication	18661 - 18667
a	30.0485 ± 0.0014 Å
b	10.8314 ± 0.0005 Å
c	23.7342 ± 0.0011 Å
α	90°
β	102.004 ± 0.0015°
γ	90°
Cell volume	7555.8 ± 0.6 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1013
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1756
Weighted residual factors for all reflections included in the refinement	0.206
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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