Crystallography Open Database

Information card for entry 7064373

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Coordinates	7064373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H56 B20 O4
Calculated formula	C50 H56 B20 O4
Title of publication	An o-carborane-based naphthalene macrocyclic arene: dual-state emission and C60 recognition
Authors of publication	Chen, Wenlong; Yuan, Shuai; Lin, Caixia; Yuan, Yaofeng
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	11.3775 ± 0.0006 Å
b	11.5862 ± 0.0007 Å
c	25.9327 ± 0.0006 Å
α	91.335 ± 0.003°
β	99.372 ± 0.003°
γ	118.66 ± 0.006°
Cell volume	2939.3 ± 0.3 Å³
Cell temperature	296.15 ± 0.1 K
Ambient diffraction temperature	296.15 ± 0.1 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	0.1853
Residual factor for significantly intense reflections	0.1054
Weighted residual factors for significantly intense reflections	0.2927
Weighted residual factors for all reflections included in the refinement	0.3545
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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