Crystallography Open Database

Information card for entry 7710622

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Coordinates	7710622.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H35 B11 N2
Calculated formula	C16 H35 B11 N2
Title of publication	Sonogashira Coupling of the Ethynyl Monocarborane [CB11H11-12-CCH]–
Authors of publication	Duttwyler, Simon; Liu, Fan; Chen, Tao; Zhang, Kang; Jiang, Tao; Liu, Jiyong
Journal of publication	Dalton Transactions
Year of publication	2022
a	17.8925 ± 0.001 Å
b	22.8056 ± 0.001 Å
c	11.5812 ± 0.0006 Å
α	90°
β	95.226 ± 0.002°
γ	90°
Cell volume	4706.1 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 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	0.0981
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1532
Weighted residual factors for all reflections included in the refinement	0.1835
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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