Crystallography Open Database

Information card for entry 1573604

Preview

Coordinates	1573604.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 N2 O6
Calculated formula	C28 H44 N2 O6
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	21.69 ± 0.03 Å
b	6.077 ± 0.008 Å
c	22.48 ± 0.03 Å
α	90°
β	90°
γ	90°
Cell volume	2963 ± 7 Å³
Cell temperature	298.66 K
Ambient diffraction temperature	298.66 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	0.1345
Residual factor for significantly intense reflections	0.0682
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1884
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1573604.html