Crystallography Open Database

Information card for entry 1558692

Preview

Coordinates	1558692.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N4 O3
Calculated formula	C22 H22 N4 O3
SMILES	c1(ccccc1)OCc1cn(c2c(=O)oc3c(c2)ccc(c3)N(CC)CC)nn1
Title of publication	Unusual absence of FRET in triazole bridged coumarin-hydroxyquinoline, an active sensor for Hg2+ detection.
Authors of publication	Mondal, Surajit; Patra, Niladri; Nayek, Hari Pada; Hira, Sumit K.; Chatterjee, Soumit; Dey, Swapan
Journal of publication	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
Year of publication	2020
Journal volume	19
Journal issue	9
Pages of publication	1211 - 1221
a	9.521 ± 0.0011 Å
b	19.764 ± 0.002 Å
c	10.8022 ± 0.0012 Å
α	90°
β	103.759 ± 0.012°
γ	90°
Cell volume	1974.4 ± 0.4 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	0.0998
Residual factor for significantly intense reflections	0.0546
Weighted residual factors for significantly intense reflections	0.1366
Weighted residual factors for all reflections included in the refinement	0.1536
Goodness-of-fit parameter for all reflections included in the refinement	1.18
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
257928 (current)	2020-10-06	cif/ Updating files of 1558692, 1558693, 1558694 Original log message: Adding full bibliography for 1558692--1558694.cif.	1558692.cif
254668	2020-07-30	cif/ Adding structures of 1558692, 1558693, 1558694 via cif-deposit CGI script.	1558692.cif