Crystallography Open Database

Information card for entry 7716865

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Coordinates	7716865.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H B Cl O
Calculated formula	C2.49275 H3.47826 B0.57971 O0.231884
Title of publication	The synthesis and application of o-carborane-based macrocyclic arenes
Authors of publication	Liu, Jiayi; Fu, Meigui; Yuan, Shuai; Lin, CaiXia; Yuan, Yaofeng
Journal of publication	Dalton Transactions
Year of publication	2024
a	35.4113 ± 0.0003 Å
b	16.8031 ± 0.0001 Å
c	17.1648 ± 0.0002 Å
α	90°
β	103.897 ± 0.001°
γ	90°
Cell volume	9914.44 ± 0.16 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0654
Residual factor for significantly intense reflections	0.0597
Weighted residual factors for significantly intense reflections	0.1706
Weighted residual factors for all reflections included in the refinement	0.1756
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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