Crystallography Open Database

Information card for entry 1573980

Preview

Coordinates	1573980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H58 N2 O4
Calculated formula	C80 H58 N2 O4
Title of publication	3D printable organic room-temperature phosphorescent materials and printed real-time sensing and display devices.
Authors of publication	Sun, Haodong; Xiao, Yuxin; He, Yunfei; Wei, Xiaoyu; Zou, Jindou; Luo, Yuanda; Wu, Yazhang; Zhao, Jiaxin; Au, Vonika Ka-Man; Yu, Tao
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	12
Pages of publication	5299 - 5309
a	7.7089 ± 0.0001 Å
b	24.161 ± 0.0002 Å
c	30.34 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	5650.97 ± 0.1 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0378
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0895
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
298814 (current)	2025-04-05	cif/ Updating files of 1573980, 1573981, 1573982 Original log message: Adding full bibliography for 1573980--1573982.cif.	1573980.cif
297840	2025-02-25	cif/ Adding structures of 1573980, 1573981, 1573982 via cif-deposit CGI script.	1573980.cif