Crystallography Open Database

Information card for entry 1574186

Preview

Coordinates	1574186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H60 N6 O13
Calculated formula	C80 H60 N6 O13
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	20.1153 ± 0.0003 Å
b	24.4281 ± 0.0003 Å
c	15.72562 ± 0.00018 Å
α	90°
β	89.9918 ± 0.0011°
γ	90°
Cell volume	7727.23 ± 0.17 Å³
Cell temperature	220 ± 0.15 K
Ambient diffraction temperature	220 ± 0.15 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.1372
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	1574186.cif
298525	2025-03-20	cif/ Adding structures of 1574186, 1574187, 1574188, 1574189, 1574190, 1574191 via cif-deposit CGI script.	1574186.cif