Crystallography Open Database

Information card for entry 7236998

Preview

Coordinates	7236998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H40 Cl4 N6
Calculated formula	C59 H40 Cl4 N6
Title of publication	A new rigid diindolocarbazole donor moiety for high quantum efficiency thermally activated delayed fluorescence emitter
Authors of publication	Kim, Kwang Jong; Kim, Gyeong Heon; Lampande, Raju; Ahn, Dae Hyun; Im, Joon Beom; Moon, Ji Su; Lee, Jae Kyun; Lee, Jae Yeol; Lee, Ju Young; Kwon, Jang Hyuk
Journal of publication	Journal of Materials Chemistry C
Year of publication	2018
Journal volume	6
Journal issue	6
Pages of publication	1343
a	12.5822 ± 0.0007 Å
b	12.8932 ± 0.0008 Å
c	16.027 ± 0.0011 Å
α	85.197 ± 0.002°
β	89.683 ± 0.0019°
γ	67.1866 ± 0.0014°
Cell volume	2387.1 ± 0.3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 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	0.1485
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1433
Weighted residual factors for all reflections included in the refinement	0.197
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
236702 (current)	2019-11-24	cif/ Adding structures of 7236998 via cif-deposit CGI script.	7236998.cif