Crystallography Open Database

Information card for entry 7125029

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Coordinates	7125029.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H32 B10 O8
Calculated formula	C20 H32 B10 O8
Title of publication	Palladium catalyzed/silver tuned selective mono-/tetra-acetoxylation of o-carboranes via B-H activation.
Authors of publication	Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Linhai; Yang, Junxiao
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	76
Pages of publication	11446 - 11449
a	12.7205 ± 0.0009 Å
b	13.3454 ± 0.0008 Å
c	16.395 ± 0.0011 Å
α	98.928 ± 0.005°
β	92.479 ± 0.005°
γ	90.262 ± 0.005°
Cell volume	2746.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2397
Residual factor for significantly intense reflections	0.1084
Weighted residual factors for significantly intense reflections	0.2601
Weighted residual factors for all reflections included in the refinement	0.3649
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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