Crystallography Open Database

Information card for entry 7064339

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Coordinates	7064339.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 N4 O6
Calculated formula	C22 H22 N4 O6
Title of publication	Hybrid azine–oxamic acid molecular design: synthesis, structure, and supramolecular implications
Authors of publication	Borth, Ketlyn Wolfart; Leal, Letícia dos Santos; Teixeira, Verônica de Carvalho; da Rocha, Grazielli; Simões, Tatiana Renata Gomes
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	7.4167 ± 0.0002 Å
b	11.8025 ± 0.0003 Å
c	13.2319 ± 0.0004 Å
α	114.554 ± 0.001°
β	92.49 ± 0.001°
γ	96.267 ± 0.001°
Cell volume	1042.16 ± 0.05 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.047
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0905
Goodness-of-fit parameter for all reflections included in the refinement	1.115
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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