Crystallography Open Database

Information card for entry 7129364

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Coordinates	7129364.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H36 B10 F4 O4
Calculated formula	C37 H36 B10 F4 O4
Title of publication	Rhodium-catalyzed sequential B(3)−, B(4)−, and B(5)-trifunctionalization of o-carboranes with three different substituents
Authors of publication	Cheng, Biao; Chen, Yu; Zhou, Peng; Xie, Zuowei
Journal of publication	Chemical Communications
Year of publication	2021
a	10.378 ± 0.0008 Å
b	21.2751 ± 0.0015 Å
c	17.0225 ± 0.0012 Å
α	90°
β	93.702 ± 0.002°
γ	90°
Cell volume	3750.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0694
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.1114
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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