Crystallography Open Database

Information card for entry 1548909

Preview

Coordinates	1548909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H20 N2 O
Calculated formula	C31 H20 N2 O
SMILES	N(/N=C/c1c2c3c4c(cc2)cccc4ccc3cc1)=C(/C(=O)c1ccccc1)c1ccccc1
Title of publication	A novel pyrene based highly selective reversible fluorescent-colorimetric sensor for the rapid detection of Cu2+ ions: application in bio-imaging
Authors of publication	Ghorai, Anupam; Mondal, Jahangir; Manna, Amit Kumar; Chowdhury, Shubhamoy; Patra, Goutam K.
Journal of publication	Analytical Methods
Year of publication	2018
Journal volume	10
Journal issue	9
Pages of publication	1063
a	19.68 ± 0.03 Å
b	10.006 ± 0.014 Å
c	11.85 ± 0.016 Å
α	90°
β	101.871 ± 0.016°
γ	90°
Cell volume	2284 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.3118
Residual factor for significantly intense reflections	0.0838
Weighted residual factors for significantly intense reflections	0.1829
Weighted residual factors for all reflections included in the refinement	0.3095
Goodness-of-fit parameter for all reflections included in the refinement	0.934
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
227953 (current)	2019-11-17	cif/ Updating files of 1548909 Original log message: Adding full bibliography for 1548909.cif.	1548909.cif
206462	2018-02-16	cif/ Adding structures of 1548909 via cif-deposit CGI script.	1548909.cif