Crystallography Open Database

Information card for entry 7234041

Preview

Coordinates	7234041.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,6-Dichloro-5,10-Bis(8-oxyquinolinato)-5,10-dihydroboranthrene
Formula	C30 H18 B2 Cl2 N2 O2
Calculated formula	C30 H18 B2 Cl2 N2 O2
SMILES	c12c(c(ccc1)Cl)[B@]1(c3c(c(ccc3)Cl)[B@@]32[n]2cccc4cccc(c24)O3)[n]2cccc3cccc(c23)O1
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	9.9401 ± 0.0003 Å
b	12.5613 ± 0.0005 Å
c	19.659 ± 0.0008 Å
α	90°
β	91.6 ± 0.003°
γ	90°
Cell volume	2453.68 ± 0.16 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
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	0.1225
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1931
Weighted residual factors for all reflections included in the refinement	0.2238
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
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
218696 (current)	2019-09-23	cif/ Adding structures of 7234041 via cif-deposit CGI script.	7234041.cif