Crystallography Open Database

Information card for entry 7233502

Preview

Coordinates	7233502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Si
Calculated formula	C28 H22 Si
SMILES	[Si]1(C=C(C(=C1)c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	How do substituents affect silole emission?
Authors of publication	Engui Zhao; Jacky W. Y. Lam; Yuning Hong; Jianzhao Liu; Qian Peng; Jianhua Hao; Herman H. Y. Sung; Ian D. Williams; Ben Zhong Tang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2013
Journal volume	1
Pages of publication	5661 - 5668
a	9.2956 ± 0.0001 Å
b	16.8937 ± 0.0005 Å
c	14.1056 ± 0.0003 Å
α	90°
β	108.13 ± 0.002°
γ	90°
Cell volume	2105.13 ± 0.08 Å³
Cell temperature	173 ± 0.14 K
Ambient diffraction temperature	173 ± 0.14 K
Number of distinct elements	3
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	0.0344
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
217772 (current)	2019-08-28	cif/ Adding structures of 7233502 via cif-deposit CGI script.	7233502.cif