Crystallography Open Database

Information card for entry 7160079

Preview

Coordinates	7160079.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C2.18 H2.18 N0.36 O0.91
Calculated formula	C2.18182 H2.18182 N0.363636 O0.909091
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	8.1779 ± 0.0009 Å
b	9.0116 ± 0.0006 Å
c	10.0761 ± 0.0008 Å
α	113.57 ± 0.007°
β	95.895 ± 0.008°
γ	112.019 ± 0.009°
Cell volume	602.44 ± 0.12 Å³
Cell temperature	205 ± 6 K
Ambient diffraction temperature	205.15 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0764
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.1214
Weighted residual factors for all reflections included in the refinement	0.1371
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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
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.	7160079.cif
293590	2024-07-30	cif/ Adding structures of 7160076, 7160077, 7160078, 7160079, 7160080, 7160081 via cif-deposit CGI script.	7160079.cif