Crystallography Open Database

Information card for entry 1560528

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Coordinates	1560528.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H38 B20 Cl2
Calculated formula	C18 H38 B20 Cl2
Title of publication	Tandem [4 + 2]/[2 + 2] cycloaddition of o-carboryne with enynes: facile construction of carborane-fused tricyclics
Authors of publication	Zhang, Jie; Xie, Zuowei
Journal of publication	Chemical Science
Year of publication	2021
Journal volume	12
Journal issue	15
Pages of publication	5616 - 5620
a	33.909 ± 0.003 Å
b	13.6784 ± 0.0011 Å
c	13.6791 ± 0.0011 Å
α	90°
β	108.58 ± 0.002°
γ	90°
Cell volume	6014 ± 0.9 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1174
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.1802
Weighted residual factors for all reflections included in the refinement	0.2243
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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