Crystallography Open Database

Information card for entry 1574183

Preview

Coordinates	1574183.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H34 Br K0.89 N2 Na0.11 O10
Calculated formula	C28 H34 Br K0.886 N2 Na0.114 O10
Title of publication	Squaramide-based ion pair receptors can facilitate transmembrane transport of KCl and zwitterions including highly polar amino acids
Authors of publication	Zaleskaya-Hernik, Marta; Salam, Rayhanus; González, Mario J.; Wilczek, Marcin; Dobrzycki, Łukasz; Busschaert, Nathalie; Romański, Jan
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	16
Pages of publication	6982 - 6990
a	7.2681 ± 0.0008 Å
b	10.3927 ± 0.001 Å
c	19.5823 ± 0.0019 Å
α	89.272 ± 0.003°
β	87.184 ± 0.004°
γ	87.05 ± 0.004°
Cell volume	1475.3 ± 0.3 Å³
Cell temperature	130 ± 0.5 K
Ambient diffraction temperature	130 ± 0.5 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0484
Weighted residual factors for significantly intense reflections	0.1048
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.212
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
300605 (current)	2025-07-06	cif/ Updating files of 1574183 Original log message: Adding full bibliography for 1574183.cif.	1574183.cif
298504	2025-03-19	cif/ Adding structures of 1574183 via cif-deposit CGI script.	1574183.cif