Crystallography Open Database

Information card for entry 7063637

Preview

Coordinates	7063637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H44 N4 O4
Calculated formula	C60 H44 N4 O4
Title of publication	Absorption and anti-bacterial studies of an acetylene-functionalized Schiff base for detection of Sn(ii) and inhibition of E. coli
Authors of publication	Singh, Gurjaspreet; Markan, Pallavi; Kaur, Navneet; Gupta, Sofia; Tamana,; Malik, Pooja; Sahoo, Subash Chandra; Gill, Baljinder Singh; Baliyan, Deepanjali
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	10
Pages of publication	4256 - 4267
a	14.504 ± 0.0007 Å
b	17.0753 ± 0.0009 Å
c	19.3494 ± 0.0013 Å
α	94.638 ± 0.005°
β	99.617 ± 0.005°
γ	97.997 ± 0.004°
Cell volume	4652.1 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2835
Residual factor for significantly intense reflections	0.0781
Weighted residual factors for significantly intense reflections	0.2932
Weighted residual factors for all reflections included in the refinement	0.4904
Goodness-of-fit parameter for all reflections included in the refinement	0.873
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
298988 (current)	2025-04-05	cif/ Updating files of 7063637 Original log message: Adding full bibliography for 7063637.cif.	7063637.cif
297627	2025-02-07	cif/ Adding structures of 7063637 via cif-deposit CGI script.	7063637.cif