Crystallography Open Database

Information card for entry 1573982

Preview

Coordinates	1573982.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H29 N O2
Calculated formula	C44 H29 N O2
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	15.739 ± 0.002 Å
b	16.068 ± 0.002 Å
c	13.9254 ± 0.0019 Å
α	90°
β	107.433 ± 0.002°
γ	90°
Cell volume	3359.9 ± 0.8 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.2009
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.2182
Weighted residual factors for all reflections included in the refinement	0.2976
Goodness-of-fit parameter for all reflections included in the refinement	0.936
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	1573982.cif
297840	2025-02-25	cif/ Adding structures of 1573980, 1573981, 1573982 via cif-deposit CGI script.	1573982.cif