Crystallography Open Database

Information card for entry 7158169

Preview

Coordinates	7158169.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 N2 O2
Calculated formula	C12 H12 N2 O2
Title of publication	Copper-promoted direct amidation of isoindolinone scaffolds by sodium persulfate.
Authors of publication	Lai, Huifang; Xu, Jiexin; Lin, Jin; Zha, Daijun
Journal of publication	Organic & biomolecular chemistry
Year of publication	2021
Journal volume	19
Journal issue	35
Pages of publication	7621 - 7626
a	9.806 ± 0.003 Å
b	11.637 ± 0.003 Å
c	9.954 ± 0.003 Å
α	90°
β	105.446 ± 0.004°
γ	90°
Cell volume	1094.8 ± 0.5 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 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	0.0666
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.131
Weighted residual factors for all reflections included in the refinement	0.1413
Goodness-of-fit parameter for all reflections included in the refinement	1.0483
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
269784 (current)	2021-10-06	cif/ Updating files of 7158168, 7158169 Original log message: Adding full bibliography for 7158168--7158169.cif.	7158169.cif
267483	2021-07-13	cif/ Adding structures of 7158168, 7158169 via cif-deposit CGI script.	7158169.cif