Crystallography Open Database

Information card for entry 1557818

Preview

Coordinates	1557818.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H25 Br N4 O3
Calculated formula	C23 H25 Br N4 O3
SMILES	[Br-].O=C1/C(=C\Nc2c3ncccc3ccc2)C=CC(=C1)OCCC[n+]1ccn(c1)C.O
Title of publication	Exploration of fluorescence behavior of an imidazolium-based chemosensor in solution and in the solid state and its turn-on response to Al<sup>3+</sup> in pure aqueous medium.
Authors of publication	Saini, Vaishali; Krishnan, Rangan; Khungar, Bharti
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	7
Pages of publication	931 - 942
a	9.278 ± 0.0003 Å
b	10.9501 ± 0.0002 Å
c	11.6256 ± 0.0003 Å
α	87.339 ± 0.002°
β	68.312 ± 0.002°
γ	88.577 ± 0.002°
Cell volume	1096.27 ± 0.05 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0264
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0566
Weighted residual factors for all reflections included in the refinement	0.0582
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation probe	x-ray
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
255105 (current)	2020-08-06	cif/ Updating files of 1557818 Original log message: Adding full bibliography for 1557818.cif.	1557818.cif
250931	2020-04-19	cif/ Adding structures of 1557818 via cif-deposit CGI script.	1557818.cif