Crystallography Open Database

Information card for entry 7238007

Preview

Coordinates	7238007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H27 N3 O4
Calculated formula	C43 H27 N3 O4
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	11.35 ± 0.02 Å
b	11.79 ± 0.02 Å
c	12.45 ± 0.02 Å
α	111.73 ± 0.04°
β	94.96 ± 0.05°
γ	92.64 ± 0.04°
Cell volume	1536 ± 5 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	0.1382
Residual factor for significantly intense reflections	0.0805
Weighted residual factors for significantly intense reflections	0.1931
Weighted residual factors for all reflections included in the refinement	0.2285
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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.	7238007.cif