Crystallography Open Database

Information card for entry 1570152

Preview

Coordinates	1570152.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24 N2 S
Calculated formula	C26 H24 N2 S
SMILES	c1(ccc2ccccc2c1)/C=N/CCSCC/N=C/c1cc2ccccc2cc1
Title of publication	Turn-on detection of Al<sup>3+</sup> and Zn<sup>2+</sup> ions by a NSN donor probe: reversibility, logic gates and DFT calculations.
Authors of publication	Naithani, Sudhanshu; Goswami, Nidhi; Singh, Sain; Yadav, Vikas; Kumar, Sanjay; Kumar, Pramod; Kumar, Amit; Goswami, Tapas; Kumar, Sushil
Journal of publication	Analytical methods : advancing methods and applications
Year of publication	2023
Journal volume	15
Journal issue	44
Pages of publication	6021 - 6030
a	5.7751 ± 0.0006 Å
b	46.275 ± 0.003 Å
c	7.778 ± 0.0008 Å
α	90°
β	90.655 ± 0.01°
γ	90°
Cell volume	2078.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.1694
Residual factor for significantly intense reflections	0.1178
Weighted residual factors for significantly intense reflections	0.3025
Weighted residual factors for all reflections included in the refinement	0.3474
Goodness-of-fit parameter for all reflections included in the refinement	1.119
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288074 (current)	2023-12-06	cif/ Updating files of 1570152 Original log message: Adding full bibliography for 1570152.cif.	1570152.cif
287036	2023-10-20	cif/ Adding structures of 1570152 via cif-deposit CGI script.	1570152.cif