Crystallography Open Database

Information card for entry 1513879

Preview

Coordinates	1513879.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H29 N4 O2
Calculated formula	C30 H29 N4 O2
SMILES	OCCN(C)c1ccc(cc1)/C=C(C#N)/c1ccc(C(=C\c2ccc(N(C)CCO)cc2)\C#N)cc1
Title of publication	Synthesis and characterization of a novel cyanostilbene derivative and its initiated polymers: aggregation-induced emission enhancement behaviors and light-emitting diode applications
Authors of publication	Jia, Wenbin; Yang, Peng; Li, Junjie; Yin, Zhengmao; Kong, Lin; Lu, Hongbo; Ge, Zhishen; Wu, Yongzhong; Hao, Xiaopeng; Yang, Jiaxiang
Journal of publication	Polymer Chemistry
Year of publication	2014
Journal volume	5
Journal issue	7
Pages of publication	2282
a	9.489 ± 0.005 Å
b	10.75 ± 0.005 Å
c	13.644 ± 0.005 Å
α	90.055 ± 0.005°
β	94.092 ± 0.005°
γ	111.778 ± 0.005°
Cell volume	1288.6 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.1458
Residual factor for significantly intense reflections	0.091
Weighted residual factors for significantly intense reflections	0.2662
Weighted residual factors for all reflections included in the refinement	0.3206
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
215051 (current)	2019-05-13	cif/1 Fixing Z values and formulae	1513879.cif
176729	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.	1513879.cif
107148	2014-03-18	cif/ Adding structures of 1513879 via cif-deposit CGI script.	1513879.cif