Crystallography Open Database

Information card for entry 1516427

Preview

Coordinates	1516427.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H21 N Si
Calculated formula	C21 H21 N Si
SMILES	[Si](C)(C)(C)c1ccc(n2c3ccccc3c3c2cccc3)cc1
Title of publication	Silicon-Based Blue Phosphorescence Host Materials: Structure and Photophysical Property Relationship on Methyl/Phenylsilanes Adorned with 4-(N-Carbazolyl)phenyl Groups and Optimization of Their Electroluminescence by Peripheral 4-(N-Carbazolyl)phenyl Numbers
Authors of publication	Han, Won-Sik; Son, Ho-Jin; Wee, Kyung-Ryang; Min, Kyoung-Tae; Kwon, Soonnam; Suh, Il-Hwan; Choi, Seung-Hoon; Jung, Dong Hyun; Kang, Sang Ook
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2009
Journal volume	113
Journal issue	45
Pages of publication	19686
a	19.1697 ± 0.0013 Å
b	21.281 ± 0.0015 Å
c	9.166 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3739.3 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1979
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2189
Weighted residual factors for all reflections included in the refinement	0.334
Goodness-of-fit parameter for all reflections included in the refinement	0.984
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516427.cif
114858	2014-05-29	cif/ Adding structures of 1516427, 1516428, 1516429, 1516430, 1516431, 1516432, 1516433 via cif-deposit CGI script.	1516427.cif