Crystallography Open Database

Information card for entry 1569373

Preview

Coordinates	1569373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H33 B2 N3 O
Calculated formula	C52 H33 B2 N3 O
Title of publication	Precisely regulating the double-boron-based multi-resonance framework towards pure-red emitters: high-performance OLEDs with CIE coordinates fully satisfying the BT. 2020 standard.
Authors of publication	Zou, Yang; He, Jiawei; Li, Nengquan; Hu, Yuxuan; Luo, Sai; Cao, Xiaosong; Yang, Chuluo
Journal of publication	Materials horizons
Year of publication	2023
Journal volume	10
Journal issue	9
Pages of publication	3712 - 3718
a	14.4911 ± 0.001 Å
b	17.4128 ± 0.0012 Å
c	32.32 ± 0.002 Å
α	90°
β	99.617 ± 0.003°
γ	90°
Cell volume	8040.7 ± 0.9 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 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	0.1466
Residual factor for significantly intense reflections	0.1087
Weighted residual factors for significantly intense reflections	0.3062
Weighted residual factors for all reflections included in the refinement	0.3387
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
286200 (current)	2023-09-05	cif/ Updating files of 1569373 Original log message: Adding full bibliography for 1569373.cif.	1569373.cif
284680	2023-06-29	cif/ Adding structures of 1569373 via cif-deposit CGI script.	1569373.cif