Crystallography Open Database

Information card for entry 7215089

Preview

Coordinates	7215089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 O Si
Calculated formula	C54 H46 O Si
Title of publication	Naphthalene-substituted 2,3,4,5-tetraphenylsiloles: synthesis, structure, aggregation-induced emission and efficient electroluminescence
Authors of publication	Jiang, Tao; Jiang, Yibing; Qin, Wei; Chen, Shuming; Lu, Yahong; Lam, Jacky W. Y.; He, Bairong; Lu, Ping; Sung, Herman H. Y.; Williams, Ian D.; Kwok, Hoi Sing; Zhao, Zujin; Qiu, Huayu; Tang, Ben Zhong
Journal of publication	Journal of Materials Chemistry
Year of publication	2012
Journal volume	22
Journal issue	38
Pages of publication	20266
a	10.9439 ± 0.0006 Å
b	13.7898 ± 0.0007 Å
c	14.4698 ± 0.0007 Å
α	101.357 ± 0.004°
β	99.878 ± 0.004°
γ	97.211 ± 0.004°
Cell volume	2080.32 ± 0.19 Å³
Cell temperature	173 ± 0.14 K
Ambient diffraction temperature	173 ± 0.14 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.1726
Weighted residual factors for all reflections included in the refinement	0.1828
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180481 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/50.	7215089.cif
111072	2014-04-20	cif/ Adding structures of 7215089, 7215090, 7215091 via cif-deposit CGI script.	7215089.cif