Crystallography Open Database

Information card for entry 7053897

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Coordinates	7053897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H20 N2
Calculated formula	C27 H20 N2
SMILES	c1(C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)\C#N)ccccc1
Title of publication	Aggregation-induced emission of triphenylamine substituted cyanostyrene derivatives
Authors of publication	Zhao, Xin; Xue, Pengchong; Wang, Kai; Chen, Peng; Zhang, Peng; Lu, Ran
Journal of publication	New Journal of Chemistry
Year of publication	2014
Journal volume	38
Journal issue	3
Pages of publication	1045
a	17.164 ± 0.003 Å
b	6.6995 ± 0.0013 Å
c	19.809 ± 0.004 Å
α	90°
β	111.08 ± 0.03°
γ	90°
Cell volume	2125.4 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1192
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1451
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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