Crystallography Open Database

Information card for entry 1572620

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Coordinates	1572620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H52 O12
Calculated formula	C44 H52 O12
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	29.2025 ± 0.0013 Å
b	6.5188 ± 0.0002 Å
c	23.6035 ± 0.0011 Å
α	90°
β	116.637 ± 0.001°
γ	90°
Cell volume	4016.4 ± 0.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 K
Number of distinct elements	3
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	0.0569
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1061
Weighted residual factors for all reflections included in the refinement	0.1178
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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