Crystallography Open Database

Information card for entry 7056017

Preview

Coordinates	7056017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H20 N4 S3
Calculated formula	C24 H20 N4 S3
SMILES	c1(ccc(/C=N/c2c(c3c(CCCC3)s2)C#N)s1)/C=N/c1c(c2c(CCCC2)s1)C#N
Title of publication	Ambipolar azomethines as potential cathodic color switching materials
Authors of publication	Tremblay, Marie-Hélène; Gellé, Alexandra; Skene, W. G.
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	6
Pages of publication	2287
a	7.9584 ± 0.0002 Å
b	12.3934 ± 0.0003 Å
c	12.5205 ± 0.0003 Å
α	66.596 ± 0.001°
β	75.989 ± 0.001°
γ	83.84 ± 0.001°
Cell volume	1099.51 ± 0.05 Å³
Cell temperature	105 K
Ambient diffraction temperature	105 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0332
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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