Crystallography Open Database

Information card for entry 4517159

Preview

Coordinates	4517159.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H62 N4 O
Calculated formula	C64 H62 N4 O
Title of publication	Achieving Enhanced Thermally Activated Delayed Fluorescence Rates and Shortened Exciton Lifetimes by Constructing Intramolecular Hydrogen Bonding Channels.
Authors of publication	Wang, Liangying; Cai, Xinyi; Li, BinBin; Li, Mengke; Wang, Zhiheng; Gan, Lin; Qiao, Zhenyang; Xie, Wentao; Liang, Qiumin; Zheng, Nan; Liu, Kunkun; Su, Shi-Jian
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
a	11.9149 ± 0.0001 Å
b	37.9796 ± 0.0002 Å
c	22.3564 ± 0.0002 Å
α	90°
β	90.099 ± 0.001°
γ	90°
Cell volume	10116.8 ± 0.14 Å³
Cell temperature	135 ± 40 K
Ambient diffraction temperature	135 ± 40 K
Number of distinct elements	4
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	0.0355
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0878
Weighted residual factors for all reflections included in the refinement	0.0889
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244858 (current)	2019-12-03	cif/ Adding structures of 4517159 via cif-deposit CGI script.	4517159.cif