Crystallography Open Database

Information card for entry 7160905

Preview

Coordinates	7160905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H21 N2 O4 P
Calculated formula	C13 H21 N2 O4 P
Title of publication	Green Synthesis of α-Aminophosphonates: From Hydrogen-Bonded Janus Dimers to Pharmaceutical Potential
Authors of publication	Kholany, Rawda; Mardini, Alaa A.; Shakirova, Ksenia; Islamov, Daut; Gerasimov, Alexander; Klimovitskii, Alexander; Vavilova, Alena A.; Mostovaya, Olga; Gazizova, Asiya; Stoikov, Ivan
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2025
a	9.2488 ± 0.0001 Å
b	14.7887 ± 0.0001 Å
c	11.2074 ± 0.0001 Å
α	90°
β	95.887 ± 0.001°
γ	90°
Cell volume	1524.84 ± 0.02 Å³
Cell temperature	304.06 ± 0.1 K
Ambient diffraction temperature	304.06 ± 0.1 K
Number of distinct elements	5
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	0.0484
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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
303979 (current)	2025-11-30	cif/ Adding structures of 7160905, 7160906, 7160907 via cif-deposit CGI script.	7160905.cif