Crystallography Open Database

Information card for entry 7064312

Preview

Coordinates	7064312.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H N O
Calculated formula	C2.4186 H2.13953 N0.465116 O0.27907
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	9.341 ± 0.0002 Å
b	12.3538 ± 0.0003 Å
c	19.841 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2289.59 ± 0.09 Å³
Cell temperature	304.6 ± 0.2 K
Ambient diffraction temperature	304.6 ± 0.2 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0794
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1617
Weighted residual factors for all reflections included in the refinement	0.1825
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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.	7064312.cif