Crystallography Open Database

Information card for entry 7238006

Preview

Coordinates	7238006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H39 N3 O2
Calculated formula	C49 H39 N3 O2
Title of publication	Effects of intramolecular hydrogen bonding on the conformation and luminescence properties of dibenzoylpyridine-based thermally activated delayed fluorescence materials
Authors of publication	Pandidurai, Jayabalan; Jayakumar, Jayachandran; Senthilkumar, Natarajan; Cheng, Chien-Hong
Journal of publication	Journal of Materials Chemistry C
Year of publication	2019
Journal volume	7
Journal issue	42
Pages of publication	13104
a	10.3324 ± 0.0004 Å
b	14.334 ± 0.0005 Å
c	26.1832 ± 0.001 Å
α	77.029 ± 0.002°
β	80.766 ± 0.002°
γ	74.062 ± 0.002°
Cell volume	3613.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0772
Residual factor for significantly intense reflections	0.0493
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1181
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
238830 (current)	2019-11-24	cif/ Adding structures of 7238006, 7238007, 7238008 via cif-deposit CGI script.	7238006.cif