Crystallography Open Database

Information card for entry 1559919

Preview

Coordinates	1559919.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H46 N4 O
Calculated formula	C65 H46 N4 O
SMILES	n1c(n(c(c1c1ccccc1)c1ccc(cc1)c1nc(n(c1c1ccccc1)c1ccccc1)c1c2ccccc2cc2ccccc12)c1ccccc1)c1c2ccccc2cc2ccccc12.OC
Title of publication	Exploring Broad Molecular Derivatization as Tool in Selective Fluorescent Detection of Mercury(II) by a Series of Large Stokes Shift 1,4-Bis(5-phenyl-1H-imidazol-4-yl)benzenes
Authors of publication	Aouina, Aroua; Oloyede, Hammed Olawale; Akong, Raymond Akong; Abdelhak, Jawher; Görls, Helmar; Plass, Winfried; Eseola, Abiodun Omokehinde
Journal of publication	Industrial & Engineering Chemistry Research
Year of publication	2020
Journal volume	59
Journal issue	52
Pages of publication	22398 - 22412
a	19.0748 ± 0.0003 Å
b	24.0435 ± 0.0005 Å
c	10.5241 ± 0.0002 Å
α	90°
β	100.108 ± 0.001°
γ	90°
Cell volume	4751.7 ± 0.15 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 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	0.0993
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1659
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
260400 (current)	2021-01-04	cif/ Adding structures of 1559917, 1559918, 1559919, 1559920, 1559921, 1559922 via cif-deposit CGI script.	1559919.cif