Crystallography Open Database

Information card for entry 7122728

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Coordinates	7122728.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H40 B18 Cs2 N2 O2
Calculated formula	C22 H40 B18 Cs2 N2 O2
Title of publication	A facile approach for synthesis of nido-carborane fused oxazoles via one pot deboronation/cyclization of 9-amide-o-carboranes
Authors of publication	Zhang, Cai-Yan; Cao, Ke; Xu, Tao-Tao; Wu, Ji; Jiang, Lin-Hai; Yang, Junxiao
Journal of publication	Chemical Communications
Year of publication	2018
a	9.9229 ± 0.0008 Å
b	13.5206 ± 0.0009 Å
c	14.4241 ± 0.0011 Å
α	108.368 ± 0.007°
β	92.326 ± 0.006°
γ	94.863 ± 0.006°
Cell volume	1825.3 ± 0.2 Å³
Cell temperature	292.78 ± 0.1 K
Ambient diffraction temperature	292.78 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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