Crystallography Open Database

Information card for entry 7233514

Preview

Coordinates	7233514.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H52 N2 Si2
Calculated formula	C36 H52 N2 Si2
SMILES	c1(c(C)nc2c(c3ccccc3c(c2n1)C#C[Si](C(C)C)(C(C)C)C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)C
Title of publication	N-Fused quinoxalines and benzoquinoxalines as attractive emitters for organic light emitting diodes
Authors of publication	Benjamin D. Lindner; Yexiang Zhang; Stefan Hofle; Nancy Berger; Claudia Teusch; Malte Jesper; Kenneth I. Hardcastle; Xuhong Qian; Uli Lemmer; Alexander Colsmann; Uwe H. F. Bunz; Manuel Hamburger
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	5718 - 5724
a	14.5474 ± 0.0008 Å
b	14.9254 ± 0.0009 Å
c	16.2869 ± 0.001 Å
α	90°
β	97.065 ± 0.004°
γ	90°
Cell volume	3509.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.0836
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1509
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
217784 (current)	2019-08-28	cif/ Adding structures of 7233514 via cif-deposit CGI script.	7233514.cif