Crystallography Open Database

Information card for entry 1550824

Preview

Coordinates	1550824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H19 N3 O4
Calculated formula	C22 H17.5 N3 O4
SMILES	O(c1c(O)c(/C=N/NC(=O)c2c(NC(=O)c3ccccc3)cccc2)ccc1)C
Title of publication	A dual-mode highly selective and sensitive Schiff base chemosensor for fluorescent colorimetric detection of Ni<sup>2+</sup> and colorimetric detection of Cu<sup>2</sup>.
Authors of publication	Manna, Amit Kumar; Rout, Kalyani; Chowdhury, Shubhamoy; Patra, Goutam K.
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2019
Journal volume	18
Journal issue	6
Pages of publication	1512 - 1525
a	8.559 ± 0.004 Å
b	24.701 ± 0.009 Å
c	17.801 ± 0.008 Å
α	90°
β	90°
γ	90°
Cell volume	3763 ± 3 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.1612
Residual factor for significantly intense reflections	0.0788
Weighted residual factors for all reflections	0.2611
Weighted residual factors for significantly intense reflections	0.1789
Weighted residual factors for all reflections included in the refinement	0.2595
Goodness-of-fit parameter for all reflections included in the refinement	0.94
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
225321 (current)	2019-11-08	cif/ Updating files of 1550824, 1550825 Original log message: Adding full bibliography for 1550824--1550825.cif.	1550824.cif
216710	2019-07-03	Fixing Z values and formulae	1550824.cif
214445	2019-04-02	cif/ Adding structures of 1550824, 1550825 via cif-deposit CGI script.	1550824.cif