Crystallography Open Database

Information card for entry 7226087

Preview

Coordinates	7226087.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H30 N4 O6
Calculated formula	C32 H30 N4 O6
SMILES	C(\c1cc(c(c(c1)OC)O)OC)=N/N=C(C(\c1ccccc1)=N/N=C/c1cc(c(c(c1)OC)O)OC)/c1ccccc1
Title of publication	A reversible fluorescent-colorimetric chemosensor based on a novel Schiff base for visual detection of CO32−in aqueous solution
Authors of publication	Ghorai, Anupam; Mondal, Jahangir; Chandra, Rukmani; Patra, Goutam K.
Journal of publication	RSC Adv.
Year of publication	2016
Journal volume	6
Journal issue	76
Pages of publication	72185
a	11.84 ± 0.005 Å
b	10.52 ± 0.005 Å
c	23.1 ± 0.005 Å
α	90 ± 0.005°
β	96.951 ± 0.005°
γ	90 ± 0.005°
Cell volume	2856.1 ± 1.9 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	0.1756
Residual factor for significantly intense reflections	0.0963
Weighted residual factors for significantly intense reflections	0.2211
Weighted residual factors for all reflections included in the refinement	0.286
Goodness-of-fit parameter for all reflections included in the refinement	1.088
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
184747 (current)	2016-07-30	cif/ Adding structures of 7226087 via cif-deposit CGI script.	7226087.cif