Crystallography Open Database

Information card for entry 7160080

Preview

Coordinates	7160080.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 N4 O10
Calculated formula	C26 H28 N4 O10
Title of publication	Non-benzenoid <i>N</i>-aryl oxalamide: synthesis of troponyl-oxalamide peptides by Pd(II)-catalyzed C(sp<sup>3</sup>)-H functionalization of glycinamides.
Authors of publication	Jena, Chinmay K.; Sharma, Nagendra K.
Journal of publication	Organic & biomolecular chemistry
Year of publication	2024
Journal volume	22
Journal issue	33
Pages of publication	6822 - 6832
a	7.0174 ± 0.0002 Å
b	19.6228 ± 0.0004 Å
c	19.9031 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2740.68 ± 0.12 Å³
Cell temperature	193 ± 14 K
Ambient diffraction temperature	193 ± 14 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	0.0497
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1179
Weighted residual factors for all reflections included in the refinement	0.123
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
294624 (current)	2024-09-06	cif/ Updating files of 7160076, 7160077, 7160078, 7160079, 7160080, 7160081 Original log message: Adding full bibliography for 7160076--7160081.cif.	7160080.cif
293590	2024-07-30	cif/ Adding structures of 7160076, 7160077, 7160078, 7160079, 7160080, 7160081 via cif-deposit CGI script.	7160080.cif