Crystallography Open Database

Information card for entry 1573743

Preview

Coordinates	1573743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H62 B2 N2 O2
Calculated formula	C68 H62 B2 N2 O2
Title of publication	A mesityl-functionalized double-boron-nitrogen-oxygen-embedded multi-resonance framework achieves anti-quenching narrowband deep-blue electroluminescence with EQE over 30% and CIE <sub><i>y</i></sub> of 0.046.
Authors of publication	Xue, Zhuixing; Xiao, Zhengqi; Zou, Yang; Chen, Zhanxiang; Liu, Jiahui; Huang, Zhongyan; Yang, Chuluo
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	8
Pages of publication	3655 - 3661
a	16.4777 ± 0.0008 Å
b	19.3715 ± 0.0009 Å
c	19.7104 ± 0.0009 Å
α	82.656 ± 0.002°
β	89.376 ± 0.002°
γ	77.021 ± 0.002°
Cell volume	6079.5 ± 0.5 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.083
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.2106
Weighted residual factors for all reflections included in the refinement	0.2235
Goodness-of-fit parameter for all reflections included in the refinement	1.068
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
298107 (current)	2025-03-04	cif/ Updating files of 1573742, 1573743 Original log message: Adding full bibliography for 1573742--1573743.cif.	1573743.cif
297425	2025-01-23	cif/ Adding structures of 1573742, 1573743 via cif-deposit CGI script.	1573743.cif