Crystallography Open Database

Information card for entry 7234250

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Coordinates	7234250.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4TPAE
Chemical name	4,4',4'',4'''-(ethene-1,1,2,2-tetrayl)tetrakis(N,N-diphenylaniline)
Formula	C74 H56 N4
Calculated formula	C74 H56 N4
SMILES	N(c1ccc(C(=C(c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)cc1)(c1ccccc1)c1ccccc1
Title of publication	Rational bridging affording luminogen with AIE features and high field effect mobility
Authors of publication	Lifang Zhao; Yiliu Lin; Tong Liu; Hongxiang Li; Yu Xiong; Wang Zhang Yuan; Herman H.-Y. Sung; Ian D. Williams; Yongming Zhang; Ben Zhong Tang
Journal of publication	Journal of Materials Chemistry C
Year of publication	2015
Journal volume	3
Pages of publication	4903 - 4909
a	10.644 ± 0.0018 Å
b	14.262 ± 0.004 Å
c	18.828 ± 0.003 Å
α	94.179 ± 0.017°
β	95.469 ± 0.014°
γ	108.415 ± 0.019°
Cell volume	2683.4 ± 1 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	0.216
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1574
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
218934 (current)	2019-09-30	cif/ Adding structures of 7234250 via cif-deposit CGI script.	7234250.cif