Crystallography Open Database

Information card for entry 7058749

Preview

Coordinates	7058749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 O10
Calculated formula	C21 H20 O10
Title of publication	Differences in solubilities, crystal structures, NMR spectra and fluorescence emissions induced by potassium cation/benzo-21-crown-7 molecular recognition
Authors of publication	Ouyang, Yunyun; Zhang, Yi; Luo, Zheng; Li, Xing; Duan, Abing; Dong, Shengyi
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	36
Pages of publication	14299
a	15.411 ± 0.004 Å
b	4.6612 ± 0.0013 Å
c	29.404 ± 0.008 Å
α	90°
β	91.133 ± 0.008°
γ	90°
Cell volume	2111.8 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2032
Residual factor for significantly intense reflections	0.1515
Weighted residual factors for significantly intense reflections	0.4194
Weighted residual factors for all reflections included in the refinement	0.4487
Goodness-of-fit parameter for all reflections included in the refinement	1.555
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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