Crystallography Open Database

Information card for entry 1565433

Preview

Coordinates	1565433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H41 Cl9 N6
Calculated formula	C48 H41 Cl9 N6
Title of publication	An extended π-backbone for highly efficient near-infrared thermally activated delayed fluorescence with enhanced horizontal molecular orientation.
Authors of publication	He, Jian-Li; Tang, Yukun; Zhang, Kai; Zhao, Yue; Lin, Yu-Ching; Hsu, Chih-Kai; Chen, Chia-Hsun; Chiu, Tien-Lung; Lee, Jiun-Haw; Wang, Chuan-Kui; Wu, Chung-Chih; Fan, Jian
Journal of publication	Materials horizons
Year of publication	2022
Journal volume	9
Journal issue	2
Pages of publication	772 - 779
a	8.1464 ± 0.0003 Å
b	11.8837 ± 0.0004 Å
c	25.5753 ± 0.0009 Å
α	83.931 ± 0.001°
β	83.143 ± 0.001°
γ	86.209 ± 0.001°
Cell volume	2440.85 ± 0.15 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1306
Residual factor for significantly intense reflections	0.0813
Weighted residual factors for significantly intense reflections	0.2098
Weighted residual factors for all reflections included in the refinement	0.2512
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
273436 (current)	2022-03-05	cif/ Updating files of 1565433 Original log message: Adding full bibliography for 1565433.cif.	1565433.cif
270925	2021-11-30	cif/ Adding structures of 1565433 via cif-deposit CGI script.	1565433.cif