Crystallography Open Database

Information card for entry 1573608

Preview

Coordinates	1573608.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	AZELAIC-2AMN
Formula	C29 H50 N2 O4
Calculated formula	C29 H50 N2 O4
SMILES	[O-]C(=O)CCCCCCCC(=O)[O-].[NH3+]C12CC3CC(C1)CC(C2)C3.[NH3+]C12CC3CC(C1)CC(C2)C3
Title of publication	Designing anti-bacterial supramolecular gels from primary ammonium dicarboxylate (PAD) salts for self-delivery applications.
Authors of publication	Roy, Nabanita; Ghosh, Subhajit; Dutta, Abhishek; Dastidar, Parthasarathi
Journal of publication	Faraday discussions
Year of publication	2025
Journal volume	260
Journal issue	0
Pages of publication	283 - 309
a	20.775 ± 0.019 Å
b	6.448 ± 0.006 Å
c	21.727 ± 0.019 Å
α	90°
β	97.79 ± 0.03°
γ	90°
Cell volume	2884 ± 5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.0617
Weighted residual factors for significantly intense reflections	0.1541
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation probe	x-ray
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
302699 (current)	2025-10-06	cif/ Updating files of 1573600, 1573601, 1573602, 1573603, 1573604, 1573605, 1573606, 1573607, 1573608 Original log message: Adding full bibliography for 1573600--1573608.cif.	1573608.cif
297201	2025-01-08	cif/ Adding structures of 1573600, 1573601, 1573602, 1573603, 1573604, 1573605, 1573606, 1573607, 1573608 via cif-deposit CGI script.	1573608.cif