Crystallography Open Database

Information card for entry 1573878

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Coordinates	1573878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H18 Br4 N2 O2
Calculated formula	C20 H18 Br4 N2 O2
Title of publication	A robust PET-based chiral Schiff base molecular probe for recognition of Hg<sup>2+</sup> and Pb<sup>2+</sup> and its application in live cell imaging.
Authors of publication	Jeba Silviya, S. Benita; Ruphina Maragatham, S. Michlin; Andrews, S. G. Jebastin; Bhuvanesh, Nattamai S. P.; Jebaraj, J. Winfred; Balakrishnan, Chithiraivel
Journal of publication	Analytical methods : advancing methods and applications
Year of publication	2025
Journal volume	17
Journal issue	10
Pages of publication	2342 - 2354
a	15.9413 ± 0.0008 Å
b	9.245 ± 0.0005 Å
c	16.0151 ± 0.0008 Å
α	90°
β	110.54 ± 0.002°
γ	90°
Cell volume	2210.2 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0246
Residual factor for significantly intense reflections	0.0187
Weighted residual factors for significantly intense reflections	0.0415
Weighted residual factors for all reflections included in the refinement	0.043
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
298738 (current)	2025-04-05	cif/ Updating files of 1573878 Original log message: Adding full bibliography for 1573878.cif.	1573878.cif
297681	2025-02-12	cif/ Adding structures of 1573878 via cif-deposit CGI script.	1573878.cif