Crystallography Open Database

Information card for entry 1573237

Preview

Coordinates	1573237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H22 N2 O2
Calculated formula	C37 H22 N2 O2
Title of publication	Effective Design Strategy for Thermally Activated Delayed Fluorescence Emitters with Aggregation-Induced emission to Enable Sky-blue OLEDs Achieving EQE Nearly 30%
Authors of publication	Dai, Hui; Liang, Yaohui; Long, Xiang; Tang, Tianyi; Xie, Haozhi; Ma, Zhiwei; Li, Gaoyu; Yang, Zhiyong; Zhao, Juan; Chi, Zhenguo
Journal of publication	Chemical Science
Year of publication	2024
a	5.7116 ± 0.0005 Å
b	12.3669 ± 0.0009 Å
c	18.667 ± 0.0014 Å
α	102.633 ± 0.006°
β	91.04 ± 0.006°
γ	92.503 ± 0.006°
Cell volume	1284.87 ± 0.18 Å³
Cell temperature	149.99 ± 0.1 K
Ambient diffraction temperature	149.99 ± 0.1 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	0.1437
Residual factor for significantly intense reflections	0.0737
Weighted residual factors for significantly intense reflections	0.1544
Weighted residual factors for all reflections included in the refinement	0.195
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
296022 (current)	2024-11-21	cif/ Adding structures of 1573236, 1573237 via cif-deposit CGI script.	1573237.cif