Crystallography Open Database

Information card for entry 7124506

Preview

Coordinates	7124506.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H18 N2 O4
Calculated formula	C12 H18 N2 O4
Title of publication	DIBI, a 3-hydroxypyridin-4-one chelator iron-binding polymer with enhanced antimicrobial activity.
Authors of publication	Ang, M Trisha C; Gumbau-Brisa, Roger; Allan, David S.; McDonald, Robert; Ferguson, Michael J.; Holbein, Bruce E.; Bierenstiel, Matthias
Journal of publication	MedChemComm
Year of publication	2018
Journal volume	9
Journal issue	7
Pages of publication	1206 - 1212
a	7.1337 ± 0.0001 Å
b	25.555 ± 0.0005 Å
c	7.1778 ± 0.0001 Å
α	90°
β	101.331 ± 0.0007°
γ	90°
Cell volume	1283.02 ± 0.04 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
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	0.039
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1017
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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