Crystallography Open Database

Information card for entry 7237873

Preview

Coordinates	7237873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H22 N4 Se
Calculated formula	C33 H22 N4 Se
Title of publication	The effect of a heavy atom on the radiative pathways of an emitter with dual conformation, thermally-activated delayed fluorescence and room temperature phosphorescence
Authors of publication	de Sa Pereira, Daniel; Lee, Dong Ryun; Kukhta, Nadzeya A.; Lee, Kyung Hyung; Kim, Cho Long; Batsanov, Andrei S.; Lee, Jun Yeob; Monkman, Andrew P.
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	34
Pages of publication	10481
a	13.4469 ± 0.0009 Å
b	19.0511 ± 0.0011 Å
c	9.613 ± 0.0006 Å
α	90°
β	96.035 ± 0.002°
γ	90°
Cell volume	2449 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0606
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0741
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
238681 (current)	2019-11-24	cif/ Adding structures of 7237870, 7237871, 7237872, 7237873, 7237874 via cif-deposit CGI script.	7237873.cif