Crystallography Open Database

Information card for entry 7160371

Preview

Coordinates	7160371.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 N2 O4
Calculated formula	C16 H14 N2 O4
Title of publication	Palladium(II)/Lewis acid catalyzed oxidative olefination of 2-benzamidopyridine 1-oxide with acrylates: synthesis of isoindolinones.
Authors of publication	Patel, Dharmik M.; Patel, Raj N.; Rathod, Nileshkumar B.; Patel, Sachinkumar D.; Thakur, Dinesh G.; Sonawane, Mahesh A.; Ghosh, Subhash Chandra
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	11
Pages of publication	2697 - 2703
a	7.3356 ± 0.0004 Å
b	12.1862 ± 0.0006 Å
c	16.2134 ± 0.0008 Å
α	90°
β	94.601 ± 0.002°
γ	90°
Cell volume	1444.7 ± 0.13 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.062
Residual factor for significantly intense reflections	0.0529
Weighted residual factors for significantly intense reflections	0.1353
Weighted residual factors for all reflections included in the refinement	0.1438
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
299133 (current)	2025-04-05	cif/ Updating files of 7160371, 7160372 Original log message: Adding full bibliography for 7160371--7160372.cif.	7160371.cif
297675	2025-02-11	cif/ Adding structures of 7160371, 7160372 via cif-deposit CGI script.	7160371.cif