Crystallography Open Database

Information card for entry 7160431

Preview

Coordinates	7160431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H20 N2 O2
Calculated formula	C22 H20 N2 O2
Title of publication	IMDAV Reaction between 3-(Isoxazol-3-yl)allylamines and Maleic Anhydrides. Unusual Approach to Pyrrolo[3,4-c]pyridine Derivatives, Possessing Anti-Inflammatory Activity
Authors of publication	Zaytsev, Vladimir P.; Simakova, Daria; Maslova, Viktoria; Ilyushenkova, Valentina; Novikov, Roman A.; Grigoriev, Mikhail S.; Danilov, Roman D.; Litvinov, Roman; Kolesnik, Iryna A.; Potkin, Vladimir I.; Zubkov, Fedor Ivanovich
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	13.6337 ± 0.0012 Å
b	12.034 ± 0.0009 Å
c	11.0008 ± 0.0009 Å
α	90°
β	107.466 ± 0.005°
γ	90°
Cell volume	1721.7 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1381
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1147
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.003
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
298535 (current)	2025-03-20	cif/ Adding structures of 7160429, 7160430, 7160431, 7160432, 7160433 via cif-deposit CGI script.	7160431.cif