Crystallography Open Database

Information card for entry 1574889

Preview

Coordinates	1574889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H120 Cl12 F12 K2 O16 P2
Calculated formula	C136 H120 Cl12 F12 K2 O16 P2
Title of publication	Crown ether-cycloparaphenylene hybrid multimacrocycles: insights into supramolecular gas sensing and biological potential.
Authors of publication	Hu, Yaning; Li, Tong; Su, Taotao; Shi, Wudi; Yu, Yabing; Li, Beibei; Li, Meng-Hua; Zhang, Sheng; Xu, Yuan-Qing; Liu, Qi; Wu, Di; Xu, Youzhi
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	28
Pages of publication	13115 - 13121
a	22.914 ± 0.016 Å
b	23.096 ± 0.014 Å
c	25.886 ± 0.018 Å
α	90°
β	90°
γ	90°
Cell volume	13699 ± 16 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.2048
Weighted residual factors for all reflections included in the refinement	0.2215
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301536 (current)	2025-08-06	cif/ Updating files of 1574889, 1574890 Original log message: Adding full bibliography for 1574889--1574890.cif.	1574889.cif
300124	2025-06-19	cif/ Adding structures of 1574889, 1574890 via cif-deposit CGI script.	1574889.cif