Crystallography Open Database

Information card for entry 7234296

Preview

Coordinates	7234296.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H43 N3 O4
Calculated formula	C49 H43 N3 O4
SMILES	O=C1N(C)C(=O)C(=C1c1ccc(n2c3ccccc3c3ccccc23)cc1)c1ccc(n2c3ccccc3c3ccccc23)cc1.O1CCCC1.O1CCCC1
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	26.2357 ± 0.0007 Å
b	15.5476 ± 0.0003 Å
c	19.4629 ± 0.0005 Å
α	90°
β	107.126 ± 0.003°
γ	90°
Cell volume	7586.9 ± 0.3 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for significantly intense reflections	0.1499
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.019
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.	7234296.cif