Crystallography Open Database

Information card for entry 4135286

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Coordinates	4135286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H34 B10
Calculated formula	C19 H34 B10
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	16.7399 ± 0.0007 Å
b	12.5493 ± 0.0005 Å
c	22.3515 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4695.5 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1748
Residual factor for significantly intense reflections	0.0936
Weighted residual factors for significantly intense reflections	0.246
Weighted residual factors for all reflections included in the refinement	0.2951
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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