Crystallography Open Database

Information card for entry 1572621

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Coordinates	1572621.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H48 N4 O10
Calculated formula	C54 H50 N4 O10
Title of publication	An anthracene-containing crown ether: synthesis, host–guest properties and modulation of solid state luminescence
Authors of publication	Zhu, Weijie; Zhao, Bohan; Fang, Shuai; Zhu, Huangtianzhi; Huang, Feihe
Journal of publication	Chemical Science
Year of publication	2024
a	13.1957 ± 0.0008 Å
b	19.8927 ± 0.0013 Å
c	9.9873 ± 0.0006 Å
α	90°
β	112.009 ± 0.004°
γ	90°
Cell volume	2430.6 ± 0.3 Å³
Cell temperature	277 K
Ambient diffraction temperature	277 K
Number of distinct elements	4
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	0.1985
Residual factor for significantly intense reflections	0.1237
Weighted residual factors for significantly intense reflections	0.2647
Weighted residual factors for all reflections included in the refinement	0.303
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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