Crystallography Open Database

Information card for entry 7234295

Preview

Coordinates	7234295.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H28 Cl3 N3 O2
Calculated formula	C42 H28 Cl3 N3 O2
SMILES	ClC(Cl)Cl.O=C1N(C)C(=O)C(=C1c1ccc(n2c3ccccc3c3ccccc23)cc1)c1ccc(n2c3ccccc3c3ccccc23)cc1
Title of publication	A A-shaped donor-pi-acceptor-pi-donor molecule with AIEE and CIEE activity and sequential logic gate behaviour
Authors of publication	Xiaofei Mei; Guixiu Wen; Jingwei Wang; Huimei Yao; Yan Zhao; Zhenghuan Lin; Qidan Ling
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	7267 - 7271
a	9.0205 ± 0.0003 Å
b	10.9629 ± 0.0003 Å
c	17.9974 ± 0.0006 Å
α	78.085 ± 0.003°
β	82.277 ± 0.003°
γ	80.414 ± 0.003°
Cell volume	1707.87 ± 0.1 Å³
Cell temperature	284 ± 2 K
Ambient diffraction temperature	284 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0501
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.144
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
219011 (current)	2019-10-02	cif/ Adding structures of 7234294, 7234295, 7234296 via cif-deposit CGI script.	7234295.cif