Crystallography Open Database

Information card for entry 7122729

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Coordinates	7122729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 B9 N O
Calculated formula	C17 H22 B9 N O
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	8.5268 ± 0.0004 Å
b	19.8789 ± 0.0007 Å
c	12.2372 ± 0.0007 Å
α	90°
β	110.129 ± 0.006°
γ	90°
Cell volume	1947.55 ± 0.18 Å³
Cell temperature	294.13 ± 0.17 K
Ambient diffraction temperature	294.13 ± 0.17 K
Number of distinct elements	5
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	0.0898
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1551
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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