Crystallography Open Database

Information card for entry 1550779

Preview

Coordinates	1550779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H31 N
Calculated formula	C43 H31 N
SMILES	c1(ccc(cc1)c1ccc(C(=C\c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)\C#N)cc1)C=C
Title of publication	A polymerizable aggregation-induced emission dye for fluorescent nanoparticles: synthesis, molecular structure and application in cell imaging
Authors of publication	Huang, Zengfang; Wang, Runze; Chen, Yali; Liu, Xiaobo; Wang, Ke; Mao, Liucheng; Wang, Ke; Yuan, Jinying; Zhang, Xiaoyong; Tao, Lei; Wei, Yen
Journal of publication	Polymer Chemistry
Year of publication	2019
Journal volume	10
Journal issue	17
Pages of publication	2162
a	9.526 ± 0.0006 Å
b	10.7198 ± 0.0007 Å
c	31.5458 ± 0.0018 Å
α	98.765 ± 0.005°
β	90.68 ± 0.005°
γ	106.033 ± 0.006°
Cell volume	3055 ± 0.3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0885
Residual factor for significantly intense reflections	0.0843
Weighted residual factors for significantly intense reflections	0.295
Weighted residual factors for all reflections included in the refinement	0.2202
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225339 (current)	2019-11-08	cif/ Updating files of 1550779 Original log message: Adding full bibliography for 1550779.cif.	1550779.cif
214337	2019-03-26	cif/ Adding structures of 1550779 via cif-deposit CGI script.	1550779.cif