Crystallography Open Database

Information card for entry 7234040

Preview

Coordinates	7234040.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,6-Difluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene
Formula	C32 H20 B2 Cl6 F2 N2 O2
Calculated formula	C32 H20 B2 Cl6 F2 N2 O2
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	9.5314 ± 0.0002 Å
b	14.0687 ± 0.0003 Å
c	12.3085 ± 0.0003 Å
α	90°
β	107.299 ± 0.003°
γ	90°
Cell volume	1575.84 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0618
Residual factor for significantly intense reflections	0.045
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1099
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
218695 (current)	2019-09-23	cif/ Adding structures of 7234040 via cif-deposit CGI script.	7234040.cif