Crystallography Open Database

Information card for entry 1573601

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Coordinates	1573601.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ADIPIC-2TYRAMINE
Formula	C33 H48 N3 O9
Calculated formula	C33 H48 N3 O9
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	11.4038 ± 0.0008 Å
b	12.7819 ± 0.0007 Å
c	13.6007 ± 0.0008 Å
α	88.897 ± 0.002°
β	70.005 ± 0.002°
γ	65.733 ± 0.002°
Cell volume	1681.25 ± 0.18 Å³
Cell temperature	145 ± 2 K
Ambient diffraction temperature	145.01 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	0.0746
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.093
Weighted residual factors for all reflections included in the refinement	0.1086
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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