Crystallography Open Database

Information card for entry 1566113

Preview

Coordinates	1566113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H67 N2 O
Calculated formula	C75 H65 N2 O
Title of publication	Diindolocarbazole - achieving multiresonant thermally activated delayed fluorescence without the need for acceptor units.
Authors of publication	Hall, David; Stavrou, Kleitos; Duda, Eimantas; Danos, Andrew; Bagnich, Sergey; Warriner, Stuart; Slawin, Alexandra M. Z.; Beljonne, David; Köhler, Anna; Monkman, Andrew; Olivier, Yoann; Zysman-Colman, Eli
Journal of publication	Materials horizons
Year of publication	2022
Journal volume	9
Journal issue	3
Pages of publication	1068 - 1080
a	13.3376 ± 0.00016 Å
b	15.8984 ± 0.00019 Å
c	16.7118 ± 0.0002 Å
α	86.2207 ± 0.001°
β	87.3777 ± 0.001°
γ	69.0861 ± 0.0011°
Cell volume	3302.08 ± 0.07 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 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	0.1545
Residual factor for significantly intense reflections	0.151
Weighted residual factors for significantly intense reflections	0.5146
Weighted residual factors for all reflections included in the refinement	0.5275
Goodness-of-fit parameter for all reflections included in the refinement	2.941
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
275078 (current)	2022-05-05	cif/ Updating files of 1566113, 1566114 Original log message: Adding full bibliography for 1566113--1566114.cif.	1566113.cif
272217	2022-01-25	cif/ Adding structures of 1566113, 1566114 via cif-deposit CGI script.	1566113.cif