Crystallography Open Database

Information card for entry 7064382

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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
Journal volume	50
Journal issue	18
Pages of publication	7609 - 7613
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

Version history

Revision	Date	Message	Files
306472 (current)	2026-06-05	cif/ Updating files of 7064382, 7064383 Original log message: Adding full bibliography for 7064382--7064383.cif.	7064382.cif
305583	2026-04-18	cif/ Adding structures of 7064382, 7064383 via cif-deposit CGI script.	7064382.cif