Crystallography Open Database

Information card for entry 7237869

Preview

Coordinates	7237869.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H44 N2 O2 S2
Calculated formula	C68 H44 N2 O2 S2
Title of publication	Rational design of thermally activated delayed fluorescence emitters with aggregation-induced emission employing combined charge transfer pathways for fabricating efficient non-doped OLEDs
Authors of publication	Ma, Fulong; Cheng, Yu; Zheng, Yu; Ji, Hefang; Hasrat, Kamran; Qi, Zhengjian
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	30
Pages of publication	9413
a	24.5727 ± 0.0013 Å
b	11.4734 ± 0.0005 Å
c	23.3323 ± 0.0011 Å
α	90°
β	98.189 ± 0.002°
γ	90°
Cell volume	6511.1 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.0778
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1309
Weighted residual factors for all reflections included in the refinement	0.1463
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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
238679 (current)	2019-11-24	cif/ Adding structures of 7237869 via cif-deposit CGI script.	7237869.cif