Crystallography Open Database

Information card for entry 7234042

Preview

Coordinates	7234042.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2,3,7,8-tetrafluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene
Formula	C30 H16 B2 F4 N2 O2
Calculated formula	C30 H16 B2 F4 N2 O2
SMILES	Fc1cc2c(cc1F)[B]1(Oc3c4[n]1cccc4ccc3)c1c([B]32Oc2c4[n]3cccc4ccc2)cc(F)c(F)c1
Title of publication	Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices
Authors of publication	Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	1354 - 1364
a	10.9289 ± 0.0005 Å
b	11.3491 ± 0.0005 Å
c	12.0394 ± 0.0006 Å
α	64.416 ± 0.005°
β	64.811 ± 0.005°
γ	84.204 ± 0.004°
Cell volume	1212.51 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0624
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1085
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
218697 (current)	2019-09-23	cif/ Adding structures of 7234042 via cif-deposit CGI script.	7234042.cif