Crystallography Open Database

Information card for entry 7160322

Preview

Coordinates	7160322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H17 N O
Calculated formula	C19 H17 N O
Title of publication	Synthesis of 3-propargyl isoindolinones by Pd/Cu-catalyzed enantioselective Heck/Sonogashira reaction of enamides.
Authors of publication	Wang, Qiang; Pan, Ya-Lin; Liang, Ren-Xiao; Hu, Yuan-Yuan; Jia, Yi-Xia
Journal of publication	Organic & biomolecular chemistry
Year of publication	2025
Journal volume	23
Journal issue	5
Pages of publication	1073 - 1077
a	7.16669 ± 0.00007 Å
b	13.97128 ± 0.00011 Å
c	14.98548 ± 0.00011 Å
α	90°
β	90°
γ	90°
Cell volume	1500.46 ± 0.02 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 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	0.0277
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0685
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299076 (current)	2025-04-05	cif/ Updating files of 7160322 Original log message: Adding full bibliography for 7160322.cif.	7160322.cif
297025	2025-01-01	cif/ Adding structures of 7160322 via cif-deposit CGI script.	7160322.cif