Crystallography Open Database

Information card for entry 7063703

Preview

Coordinates	7063703.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H24 N2 O7
Calculated formula	C28 H24 N2 O7
Title of publication	Synthesis, structural characterization, in silico ADMET and molecular docking studies of a Schiff base derived from 4-hydroxybenzaldehyde and 4-aminobenzoic acid
Authors of publication	Nowak, Patryk; Sikorski, Artur
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	14
Pages of publication	5940 - 5949
a	8.6372 ± 0.0003 Å
b	11.4481 ± 0.0004 Å
c	24.7299 ± 0.0009 Å
α	90°
β	94.21 ± 0.003°
γ	90°
Cell volume	2438.68 ± 0.15 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0763
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1113
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.0948
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
299029 (current)	2025-04-05	cif/ Updating files of 7063703 Original log message: Adding full bibliography for 7063703.cif.	7063703.cif
298493	2025-03-18	cif/ Adding structures of 7063703 via cif-deposit CGI script.	7063703.cif