Crystallography Open Database

Information card for entry 7233721

Preview

Coordinates	7233721.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H29 N
Calculated formula	C38 H29 N
SMILES	N(c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1
Title of publication	Aggregation-induced emission, mechanochromism and blue electroluminescence of carbazole and triphenylamine-substituted ethenes
Authors of publication	Carrie Y. K. Chan; Jacky W. Y. Lam; Zujin Zhao; Shuming Chen; Ping Lu; Herman H. Y. Sung; Hoi Sing Kwok; Yuguang Ma; Ian D. Williams; Ben Zhong Tang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2014
Journal volume	2
Pages of publication	4320 - 4327
a	10.923 ± 0.0006 Å
b	11.5156 ± 0.0006 Å
c	12.0082 ± 0.0007 Å
α	98.178 ± 0.004°
β	98.136 ± 0.005°
γ	108.704 ± 0.005°
Cell volume	1387.63 ± 0.14 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0518
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1322
Weighted residual factors for all reflections included in the refinement	0.1373
Goodness-of-fit parameter for all reflections included in the refinement	0.991
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
218101 (current)	2019-09-09	cif/ Adding structures of 7233721 via cif-deposit CGI script.	7233721.cif