Crystallography Open Database

Information card for entry 7064382

Preview

Coordinates	7064382.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H17 N O4
Calculated formula	C18 H17 N O4
Title of publication	DBU-Mediated [3+2] Annulation of 3-Hydroxyisoindolinones with Vinylsulfonium Salts: An Efficient Approach to Functionalized Oxazolo[2,3-a]isoindolones
Authors of publication	Gou, Yan; Wang, Jing; Li, Na; Hou, Shanling; Cheng, Yang; Li, Yuming
Journal of publication	New Journal of Chemistry
Year of publication	2026
a	8.4269 ± 0.0008 Å
b	10.2708 ± 0.0011 Å
c	10.7625 ± 0.0012 Å
α	112.254 ± 0.004°
β	110.239 ± 0.004°
γ	97.809 ± 0.004°
Cell volume	769.74 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 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	0.0714
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	0.751
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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/7064382.html