Crystallography Open Database

Information card for entry 7234819

Preview

Coordinates	7234819.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ST_tBu
Formula	C50 H50 N6 Si
Calculated formula	C50 H50 N6 Si
Title of publication	Electronic alteration of end-on phenyl groups of bis-triazolyl-silanes: electron-transport materials for blue phosphorescent OLEDs
Authors of publication	Seungjun Yi; Woo-Ri Bae; Jin-Hyoung Kim; Ah-Rang Lee; Woo-Young Kim; Won-Sik Han; Ho-Jin Son; Sang Ook Kang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2016
Journal volume	4
Pages of publication	4978 - 4987
a	22.126 ± 0.005 Å
b	11.533 ± 0.002 Å
c	18.308 ± 0.004 Å
α	90°
β	109.595 ± 0.004°
γ	90°
Cell volume	4401.3 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1202
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1352
Weighted residual factors for all reflections included in the refinement	0.1807
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7234819.html