Crystallography Open Database

Information card for entry 1568924

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Coordinates	1568924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H19 K O9
Calculated formula	C16 H19 K O9
Title of publication	Crystal engineering of ionic cocrystals comprising Na/K salts of hesperetin with hesperetin molecules and solubility modulation.
Authors of publication	Jin, Shasha; Haskins, Molly M.; Deng, Cheng Hua; Matos, Catiúcia R M O; Zaworotko, Michael J.
Journal of publication	IUCrJ
Year of publication	2023
Journal volume	10
Journal issue	3
a	13.9343 ± 0.0003 Å
b	7.8657 ± 0.0002 Å
c	31.4425 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3446.19 ± 0.14 Å³
Cell temperature	113 K
Ambient diffraction temperature	113 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0454
Weighted residual factors for significantly intense reflections	0.1151
Weighted residual factors for all reflections included in the refinement	0.1165
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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