Crystallography Open Database

Information card for entry 7156877

Preview

Coordinates	7156877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H11 N O3
Calculated formula	C15 H11 N O3
Title of publication	Copper-catalyzed coupling of anthranils and α-keto acids: direct synthesis of α-ketoamides.
Authors of publication	Li, Ping-Gui; Zhu, Hao; Fan, Min; Yan, Cheng; Shi, Kai; Chi, Xi-Wen; Zou, Liang-Hua
Journal of publication	Organic & biomolecular chemistry
Year of publication	2019
Journal volume	17
Journal issue	24
Pages of publication	5902 - 5907
a	12.8593 ± 0.0008 Å
b	14.1412 ± 0.001 Å
c	6.7109 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1220.35 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0792
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
225037 (current)	2019-11-08	cif/ Updating files of 7156877 Original log message: Adding full bibliography for 7156877.cif.	7156877.cif
215389	2019-05-22	cif/ Adding structures of 7156877 via cif-deposit CGI script.	7156877.cif