Crystallography Open Database

Information card for entry 7235173

Preview

Coordinates	7235173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 N4 S
Calculated formula	C36.08 H29.92 N4.08 S1.04
Title of publication	Teaching an old acceptor new tricks: rationally employing 2,1,3-benzothiadiazole as input to design a highly efficient red thermally activated delayed fluorescence emitter
Authors of publication	Fan Ni; Zhongbin Wu; Zece Zhu; Tianheng Chen; Kailong Wu; Cheng Zhong; Kebin An; Danqing Wei; Dongge Ma; Chuluo Yang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2017
Journal volume	5
Pages of publication	1363 - 1368
a	26.456 ± 0.009 Å
b	7.923 ± 0.002 Å
c	17.551 ± 0.007 Å
α	90°
β	120.844 ± 0.007°
γ	90°
Cell volume	3158.6 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0818
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.249
Weighted residual factors for all reflections included in the refinement	0.2601
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
231031 (current)	2019-11-19	cif/ Adding structures of 7235173 via cif-deposit CGI script.	7235173.cif