Crystallography Open Database

Information card for entry 7064313

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Coordinates	7064313.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H23 N5 O4
Calculated formula	C25 H23 N5 O4
Title of publication	Solvent directed base-enabled diastereodivergent domino cycloaddition of isoxazole–oxindole styrenes and Michael additions of isoxazole–styrenes with vinyl malononitriles
Authors of publication	Sathish, Kota; Majhi, Subir; Parida, Ankita; Nagaraju, Sakkani; Kashinath, Dhurke
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	5
Pages of publication	2350 - 2355
a	11.5473 ± 0.0003 Å
b	13.99 ± 0.0004 Å
c	14.7675 ± 0.0003 Å
α	80.6 ± 0.002°
β	89.223 ± 0.002°
γ	77.075 ± 0.002°
Cell volume	2293.32 ± 0.1 Å³
Cell temperature	304.9 K
Ambient diffraction temperature	304.9 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	0.089
Residual factor for significantly intense reflections	0.0552
Weighted residual factors for significantly intense reflections	0.152
Weighted residual factors for all reflections included in the refinement	0.1738
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
304783 (current)	2026-03-04	cif/ Adding structures of 7064312, 7064313 via cif-deposit CGI script.	7064313.cif