Crystallography Open Database

Information card for entry 1574564

Preview

Coordinates	1574564.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H56 Cl3 K N4 O19.6
Calculated formula	C48 H56 Cl3 K N4 O19.6
Title of publication	Crystal structures of sandwich-type potassium cation complexes formed from benzo-15-crown-5-based ligand containing a chloromaleimide moiety
Authors of publication	Hirayama, Yuto; Ito, Akitaka; Ochi, Rika
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	20
Pages of publication	3214 - 3218
a	15.1444 ± 0.0004 Å
b	23.9026 ± 0.0005 Å
c	15.8158 ± 0.0006 Å
α	90°
β	103.663 ± 0.003°
γ	90°
Cell volume	5563.2 ± 0.3 Å³
Cell temperature	103.15 K
Ambient diffraction temperature	103.15 K
Number of distinct elements	6
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	0.0845
Residual factor for significantly intense reflections	0.0549
Weighted residual factors for significantly intense reflections	0.1388
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
300718 (current)	2025-07-06	cif/ Updating files of 1574562, 1574563, 1574564 Original log message: Adding full bibliography for 1574562--1574564.cif.	1574564.cif
299478	2025-05-02	cif/ Adding structures of 1574562, 1574563, 1574564 via cif-deposit CGI script.	1574564.cif