Crystallography Open Database

Information card for entry 7064273

Preview

Coordinates	7064273.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N2 O4
Calculated formula	C20 H16 N2 O4
Title of publication	DBU-promoted [3+2] cycloaddition for the synthesis of trispiro heterocycles from acetylpyrazolyl-substituted oxindoles and substituted isatins
Authors of publication	Jia, Yun-Qing; Mu, Ting-ting; Liu, Hong-xian; Xiang, Min; Shen, Li-Wen
Journal of publication	New Journal of Chemistry
Year of publication	2026
Journal volume	50
Journal issue	9
Pages of publication	3947 - 3951
a	13.1194 ± 0.0004 Å
b	12.8734 ± 0.0004 Å
c	10.0344 ± 0.0005 Å
α	90°
β	100.177 ± 0.004°
γ	90°
Cell volume	1668.06 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1298
Weighted residual factors for all reflections included in the refinement	0.1343
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7064273.html