Crystallography Open Database

Information card for entry 1574190

Preview

Coordinates	1574190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C57 H40 Cl2 N4 O8
Calculated formula	C57 H40 Cl2 N4 O8
Title of publication	Single-crystal chiral two-dimensional supramolecular organic frameworks for tunable circularly polarized luminescence
Authors of publication	Cui, Jialin; Wang, Hui; Liu, Hui; Yu, Hailong; Wang, Wei; Wang, Yu; Zhao, Yingjie
Journal of publication	Chemical Science
Year of publication	2025
Journal volume	16
Journal issue	17
Pages of publication	7513 - 7522
a	24.6536 ± 0.0008 Å
b	24.6536 ± 0.0008 Å
c	25.2258 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	13278.1 ± 0.9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	146
Hermann-Mauguin space group symbol	R 3 :H
Hall space group symbol	R 3
Residual factor for all reflections	0.093
Residual factor for significantly intense reflections	0.0558
Weighted residual factors for significantly intense reflections	0.145
Weighted residual factors for all reflections included in the refinement	0.1607
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
300586 (current)	2025-07-06	cif/ Updating files of 1574186, 1574187, 1574188, 1574189, 1574190, 1574191 Original log message: Adding full bibliography for 1574186--1574191.cif.	1574190.cif
298525	2025-03-20	cif/ Adding structures of 1574186, 1574187, 1574188, 1574189, 1574190, 1574191 via cif-deposit CGI script.	1574190.cif