Crystallography Open Database

Information card for entry 7129891

Preview

Coordinates	7129891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 N2
Calculated formula	C26 H22 N2
SMILES	c1(C(=C(c2ccccc2)c2ccccc2)c2ccccc2N)ccccc1N
Title of publication	Effect of solvation on aggregation-induced luminescence of tetraphenylethene derivatives
Authors of publication	YAO, HUI; Zhou, Meijuan; Yu, Xiaolong; Bai, Ming
Journal of publication	Chemical Communications
Year of publication	2022
a	9.1788 ± 0.0006 Å
b	9.5316 ± 0.0006 Å
c	12.5301 ± 0.0009 Å
α	70.24 ± 0.006°
β	75.746 ± 0.006°
γ	83.129 ± 0.005°
Cell volume	999.13 ± 0.12 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.066
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.1812
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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