Crystallography Open Database

Information card for entry 1573981

Preview

Coordinates	1573981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H23 Cl2 N O2
Calculated formula	C33 H23 Cl2 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	12.8697 ± 0.0006 Å
b	26.1356 ± 0.0009 Å
c	7.9805 ± 0.0003 Å
α	90°
β	107.143 ± 0.004°
γ	90°
Cell volume	2565.04 ± 0.19 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	5
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	0.0809
Residual factor for significantly intense reflections	0.0589
Weighted residual factors for significantly intense reflections	0.1674
Weighted residual factors for all reflections included in the refinement	0.1832
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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.	1573981.cif
297840	2025-02-25	cif/ Adding structures of 1573980, 1573981, 1573982 via cif-deposit CGI script.	1573981.cif