Crystallography Open Database

Information card for entry 1574562

Preview

Coordinates	1574562.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H25 Cl N2 O7
Calculated formula	C24 H25 Cl N2 O7
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	14.6695 ± 0.0005 Å
b	8.4232 ± 0.0002 Å
c	19.7536 ± 0.0006 Å
α	90°
β	108.105 ± 0.004°
γ	90°
Cell volume	2319.99 ± 0.13 Å³
Cell temperature	113.15 K
Ambient diffraction temperature	113.15 K
Number of distinct elements	5
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	0.0532
Residual factor for significantly intense reflections	0.0384
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.1
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	1574562.cif
299478	2025-05-02	cif/ Adding structures of 1574562, 1574563, 1574564 via cif-deposit CGI script.	1574562.cif